0 B15R1.138 C#CCCCCCC(=O)c1ccccc1 1458a_100000185807_100012094781 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.138 C#CCCCCNC(=O)c1ccccc1 11a_100000706060_100000185807 [0,0,0,0,0,0|1,0,2]=3 2 B15R1.138 C#CCCCCNC(=O)c1ccccc1 1626a_100000706060_100000185807 [0,0,0,0,0,0|1,0,2]=3 3 B15R1.138 C#CCCCCNC(=O)c1ccccc1 240690a_100000706060_100000185807 [0,0,0,0,0,0|1,0,2]=3 4 B15R1.138 C#CCCCCNC(=O)c1ccccc1 527a_100000706060_100000185807 [0,0,0,0,0,0|1,0,2]=3 5 B15R1.138 C#CCCCCOC(C)c1ccccc1 34a_100000766709_100000211855 [0,0,0,0,0,0|1,0,3]=4 6 B15R1.138 C#CCCCCOC(C)c1ccccc1 7a_100000766709_100000230085 [0,0,0,0,0,0|1,0,3]=4 7 B15R1.138 C#CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100010269958 [0,0,0,0,0,0|1,0,3]=4 8 B15R1.138 C#CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100010269958 [0,0,0,0,0,0|1,0,3]=4 9 B15R1.138 C#CCCCOCC(=O)c1ccccc1 7a_100000215630_100000211460 [0,0,0,0,0,0|2,0,2]=4 10 B15R1.138 C#CCCCSCC(=O)c1ccccc1 62a_100000211460_100011215417 [0,0,0,0,0,0|2,0,2]=4 11 B15R1.138 C#CCCCSCC(=O)c1ccccc1 62a_100011215417_100000211460 [0,0,0,0,0,0|2,0,2]=4 12 B15R1.138 C#CCCSCCC(=O)c1ccccc1 62a_100000688953_100000750707 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.138 C#CCCSCCC(=O)c1ccccc1 62a_100000750707_100000688953 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.138 C#CCCSCOC(=O)c1ccccc1 62a_100000073877_100000688953 [0,0,0,0,0,0|1,0,2]=3 15 B15R1.138 C#CCCSCOC(=O)c1ccccc1 62a_100000688953_100000073877 [0,0,0,0,0,0|1,0,2]=3 16 B15R1.138 C#CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000038162 [0,0,0,0,0,0|2,0,2]=4 17 B15R1.138 C#CCNCCOC(=O)c1ccccc1 34a_100000212058_100009812718 [0,0,0,0,0,0|1,0,2]=3 18 B15R1.138 C#CCOCCNC(=O)c1ccccc1 11a_100000700922_100000185807 [0,0,0,0,0,0|2,0,2]=4 19 B15R1.138 C#CCOCCNC(=O)c1ccccc1 1626a_100000700922_100000185807 [0,0,0,0,0,0|2,0,2]=4 20 B15R1.138 C#CCOCCNC(=O)c1ccccc1 240690a_100000700922_100000185807 [0,0,0,0,0,0|2,0,2]=4 21 B15R1.138 C#CCOCCNC(=O)c1ccccc1 34a_200000158897_100000184674 [0,0,0,0,0,0|2,0,2]=4 22 B15R1.138 C#CCOCCNC(=O)c1ccccc1 527a_100000700922_100000185807 [0,0,0,0,0,0|2,0,2]=4 23 B15R1.138 C#CCOCCNC(=O)c1ccccc1 7a_200000158897_100000038162 [0,0,0,0,0,0|2,0,2]=4 24 B15R1.138 C#CCOCCOC(=O)c1ccccc1 34a_100000210247_100009812718 [0,0,0,0,0,0|1,0,2]=3 25 B15R1.138 C#CCOCCOC(=O)c1ccccc1 7a_100000025465_100000038162 [0,0,0,0,0,0|1,0,2]=3 26 B15R1.138 C#CCSCCCC(=O)c1ccccc1 62a_100000038162_100000211006 [0,0,0,0,0,0|2,0,2]=4 27 B15R1.138 C#CCSCCNC(=O)c1ccccc1 62a_100000038162_200011215302 [0,0,0,0,0,0|2,0,2]=4 28 B15R1.138 C#CCSCCOC(=O)c1ccccc1 62a_100000038162_100009812718 [0,0,0,0,0,0|1,0,2]=3 29 B15R1.138 C/C=C/CSCCC(=O)c1ccccc1 62a_100000750707_100102629194 [0,0,0,0,0,0|2,0,2]=4 30 B15R1.138 C/C=C/CSCCC(=O)c1ccccc1 62a_100102629194_100000750707 [0,0,0,0,0,0|2,0,2]=4 31 B15R1.138 C/C=C/CSCOC(=O)c1ccccc1 62a_100000073877_100102629194 [0,0,0,0,0,0|1,0,2]=3 32 B15R1.138 C/C=C/CSCOC(=O)c1ccccc1 62a_100102629194_100000073877 [0,0,0,0,0,0|1,0,2]=3 33 B15R1.138 C=CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000700193 [0,0,0,0,0,0|1,0,2]=3 34 B15R1.138 C=CCCCCNC(=O)c1ccccc1 11a_100000703577_100000185807 [0,0,0,0,0,0|1,0,2]=3 35 B15R1.138 C=CCCCCNC(=O)c1ccccc1 1626a_100000703577_100000185807 [0,0,0,0,0,0|1,0,2]=3 36 B15R1.138 C=CCCCCNC(=O)c1ccccc1 240690a_100000703577_100000185807 [0,0,0,0,0,0|1,0,2]=3 37 B15R1.138 C=CCCCCNC(=O)c1ccccc1 527a_100000703577_100000185807 [0,0,0,0,0,0|1,0,2]=3 38 B15R1.138 C=CCCCCOC(C)c1ccccc1 34a_100000766645_100000211855 [0,0,0,0,0,0|1,0,3]=4 39 B15R1.138 C=CCCCCOC(C)c1ccccc1 7a_100000766645_100000230085 [0,0,0,0,0,0|1,0,3]=4 40 B15R1.138 C=CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100011215482 [0,0,0,0,0,0|1,0,3]=4 41 B15R1.138 C=CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100011215482 [0,0,0,0,0,0|1,0,3]=4 42 B15R1.138 C=CCCCOCC(=O)c1ccccc1 7a_100000758997_100000211460 [0,0,0,0,0,0|2,0,2]=4 43 B15R1.138 C=CCCCSCC(=O)c1ccccc1 62a_100000211460_100000757094 [0,0,0,0,0,0|2,0,2]=4 44 B15R1.138 C=CCCCSCC(=O)c1ccccc1 62a_100011713584_100000211460 [0,0,0,0,0,0|2,0,2]=4 45 B15R1.138 C=CCCNCCC(=O)c1ccccc1 2230a_100015191253_100000750707 [0,0,0,0,0,0|2,0,2]=4 46 B15R1.138 C=CCCSCCC(=O)c1ccccc1 62a_100000750707_100000754431 [0,0,0,0,0,0|2,0,2]=4 47 B15R1.138 C=CCCSCCC(=O)c1ccccc1 62a_100000754431_100000750707 [0,0,0,0,0,0|2,0,2]=4 48 B15R1.138 C=CCCSCOC(=O)c1ccccc1 62a_100000073877_100000754431 [0,0,0,0,0,0|1,0,2]=3 49 B15R1.138 C=CCCSCOC(=O)c1ccccc1 62a_100000754431_100000073877 [0,0,0,0,0,0|1,0,2]=3 50 B15R1.138 C=CCNCCCC(=O)c1ccccc1 2230a_100020586998_100000211006 [0,0,0,0,0,0|2,0,2]=4 51 B15R1.138 C=CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210623 [0,0,0,0,0,0|2,0,2]=4 52 B15R1.138 C=CCOCCNC(=O)c1ccccc1 34a_200000158897_100015514636 [0,0,0,0,0,0|2,0,2]=4 53 B15R1.138 C=CCOCCNC(=O)c1ccccc1 7a_200000158897_100015514636 [0,0,0,0,0,0|2,0,2]=4 54 B15R1.138 C=CCOCCOC(=O)c1ccccc1 34a_200000210373_100009812718 [0,0,0,0,0,0|1,0,2]=3 55 B15R1.138 C=CCOCCOC(=O)c1ccccc1 7a_100000025465_100015514636 [0,0,0,0,0,0|1,0,2]=3 56 B15R1.138 C=CCSCCCC(=O)c1ccccc1 62a_100000210623_100000211006 [0,0,0,0,0,0|2,0,2]=4 57 B15R1.138 C=CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210623 [0,0,0,0,0,0|2,0,2]=4 58 B15R1.138 C=CCSCCNC(=O)c1ccccc1 62a_100000210623_200011215302 [0,0,0,0,0,0|2,0,2]=4 59 B15R1.138 C=CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210623 [0,0,0,0,0,0|2,0,2]=4 60 B15R1.138 C=CCSCCOC(=O)c1ccccc1 62a_100000210623_100009812718 [0,0,0,0,0,0|1,0,2]=3 61 B15R1.138 C=CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210623 [0,0,0,0,0,0|1,0,2]=3 62 B15R1.138 C=COCCCNC(=O)c1ccccc1 11a_100000210767_100000185807 [0,0,0,0,0,0|2,0,2]=4 63 B15R1.138 C=COCCCNC(=O)c1ccccc1 1626a_100000210767_100000185807 [0,0,0,0,0,0|2,0,2]=4 64 B15R1.138 C=COCCCNC(=O)c1ccccc1 240690a_100000210767_100000185807 [0,0,0,0,0,0|2,0,2]=4 65 B15R1.138 C=COCCCNC(=O)c1ccccc1 527a_100000210767_100000185807 [0,0,0,0,0,0|2,0,2]=4 66 B15R1.138 CC#CCNCCC(=O)c1ccccc1 2230a_100000685387_100000750707 [0,0,0,0,0,0|2,0,2]=4 67 B15R1.138 CC#CCSCCC(=O)c1ccccc1 62a_100000748600_100000750707 [0,0,0,0,0,0|2,0,2]=4 68 B15R1.138 CC#CCSCCC(=O)c1ccccc1 62a_100000750707_100000748600 [0,0,0,0,0,0|2,0,2]=4 69 B15R1.138 CC#CCSCOC(=O)c1ccccc1 62a_100000073877_100000748600 [0,0,0,0,0,0|1,0,2]=3 70 B15R1.138 CC#CCSCOC(=O)c1ccccc1 62a_100000748600_100000073877 [0,0,0,0,0,0|1,0,2]=3 71 B15R1.138 CC(NCCCCCO)c1ccccc1 2230a_100000762737_100000230085 [0,0,0,0,0,0|3,0,1]=4 72 B15R1.138 CC(NCCCCCO)c1ccccc1 269862a_100000762737_100000185851 [0,0,0,0,0,0|3,0,1]=4 73 B15R1.138 CC(NCCCCCO)c1ccccc1 34a_100000762737_100000211855 [0,0,0,0,0,0|3,0,1]=4 74 B15R1.138 CC(OCCCCCBr)c1ccccc1 34a_100000746331_100000211855 [0,0,0,0,0,0|2,0,1]=3 75 B15R1.138 CC(OCCCCCBr)c1ccccc1 7a_100000746331_100000230085 [0,0,0,0,0,0|2,0,1]=3 76 B15R1.138 CC(OCCCCCCl)c1ccccc1 34a_100000746330_100000211855 [0,0,0,0,0,0|2,0,1]=3 77 B15R1.138 CC(OCCCCCCl)c1ccccc1 7a_100000746330_100000230085 [0,0,0,0,0,0|2,0,1]=3 78 B15R1.138 CC(OCCCCCI)c1ccccc1 34a_200012148887_100000211855 [0,0,0,0,0,0|2,0,1]=3 79 B15R1.138 CC(OCCCCCI)c1ccccc1 7a_200012148887_100000230085 [0,0,0,0,0,0|2,0,1]=3 80 B15R1.138 CC(OCCCCCN)c1ccccc1 34a_100000762737_100000211855 [0,0,0,0,0,0|2,0,1]=3 81 B15R1.138 CC(OCCCNCF)c1ccccc1 34a_100000206020_100015361967 [0,0,0,0,0,0|3,0,1]=4 82 B15R1.138 CC(OCCOCCBr)c1ccccc1 34a_100000692535_100000211855 [0,0,0,0,0,0|3,0,1]=4 83 B15R1.138 CC(OCCOCCBr)c1ccccc1 7a_100000692535_100000230085 [0,0,0,0,0,0|3,0,1]=4 84 B15R1.138 CC(OCCOCCCl)c1ccccc1 34a_100011215305_100000211855 [0,0,0,0,0,0|3,0,1]=4 85 B15R1.138 CC(OCCOCCCl)c1ccccc1 7a_100011215305_100000230085 [0,0,0,0,0,0|3,0,1]=4 86 B15R1.138 CC(OCCOCCF)c1ccccc1 34a_200015357709_100000211855 [0,0,0,0,0,0|3,0,1]=4 87 B15R1.138 CC(OCCOCCF)c1ccccc1 7a_200015357709_100000230085 [0,0,0,0,0,0|3,0,1]=4 88 B15R1.138 CC(OCCOCCI)c1ccccc1 34a_100012149058_100000211855 [0,0,0,0,0,0|3,0,1]=4 89 B15R1.138 CC(OCCOCCI)c1ccccc1 7a_100012149058_100000230085 [0,0,0,0,0,0|3,0,1]=4 90 B15R1.138 CC(OCCOCCN)c1ccccc1 34a_100000211614_100000211855 [0,0,0,0,0,0|3,0,1]=4 91 B15R1.138 CC(SCCCCCF)c1ccccc1 62a_100000230085_100000729378 [0,0,0,0,0,0|2,1,1]=4 92 B15R1.138 CC(SCCCCCF)c1ccccc1 62a_100000729378_100000230085 [0,0,0,0,0,0|2,1,1]=4 93 B15R1.138 CC(SCCCCCO)c1ccccc1 62a_100000230085_100000746330 [0,0,0,0,0,0|2,1,1]=4 94 B15R1.138 CC(SCCCCCO)c1ccccc1 62a_100000746330_100000230085 [0,0,0,0,0,0|2,1,1]=4 95 B15R1.138 CC/C=C\CCOC(C)c1ccccc1 34a_100016288707_100000211855 [0,0,0,0,0,0|1,0,3]=4 96 B15R1.138 CC/C=C\CCOC(C)c1ccccc1 7a_100016288707_100000230085 [0,0,0,0,0,0|1,0,3]=4 97 B15R1.138 CC/C=C\CCO[C@H](C)c1ccccc1 34a_100000761318_100015370543 [0,0,0,0,0,0|1,0,3]=4 98 B15R1.138 CC/C=C\CCO[C@H](C)c1ccccc1 7a_100000761318_100015370543 [0,0,0,0,0,0|1,0,3]=4 99 B15R1.138 CC/C=C\CSCC(=O)c1ccccc1 62a_100000211460_100103147603 [0,0,0,0,0,0|2,0,2]=4 100 B15R1.138 CC/C=C\CSCC(=O)c1ccccc1 62a_100103147603_100000211460 [0,0,0,0,0,0|2,0,2]=4 101 B15R1.138 CC=CCCCOC(C)c1ccccc1 34a_100020645299_100000211855 [0,0,0,0,0,0|1,0,3]=4 102 B15R1.138 CC=CCSCCC(=O)c1ccccc1 62a_100000070051_100000750707 [0,0,0,0,0,0|2,0,2]=4 103 B15R1.138 CC=CCSCCC(=O)c1ccccc1 62a_100000750707_100000070051 [0,0,0,0,0,0|2,0,2]=4 104 B15R1.138 CC=CCSCOC(=O)c1ccccc1 62a_100000070051_100000073877 [0,0,0,0,0,0|1,0,2]=3 105 B15R1.138 CC=CCSCOC(=O)c1ccccc1 62a_100000073877_100000070051 [0,0,0,0,0,0|1,0,2]=3 106 B15R1.138 CCC#CCCOC(C)c1ccccc1 34a_100000036655_100000211855 [0,0,0,0,0,0|1,0,3]=4 107 B15R1.138 CCC#CCCOC(C)c1ccccc1 7a_100000036655_100000230085 [0,0,0,0,0,0|1,0,3]=4 108 B15R1.138 CCC#CCSCC(=O)c1ccccc1 62a_100000211460_100009813939 [0,0,0,0,0,0|2,0,2]=4 109 B15R1.138 CCC#CCSCC(=O)c1ccccc1 62a_100009813939_100000211460 [0,0,0,0,0,0|2,0,2]=4 110 B15R1.138 CCC/C=C/COC(C)c1ccccc1 34a_100016278788_100000211855 [0,0,0,0,0,0|1,0,3]=4 111 B15R1.138 CCC/C=C/COC(C)c1ccccc1 7a_100016278788_100000230085 [0,0,0,0,0,0|1,0,3]=4 112 B15R1.138 CCCC#CCOC(C)c1ccccc1 34a_100000034806_100000211855 [0,0,0,0,0,0|1,0,3]=4 113 B15R1.138 CCCC#CCOC(C)c1ccccc1 7a_100000034806_100000230085 [0,0,0,0,0,0|1,0,3]=4 114 B15R1.138 CCCCC=NNC(=O)c1ccccc1 4a_100000184135_100000210104 [0,0,0,0,0,0|2,0,1]=3 115 B15R1.138 CCCCC=NNC(=O)c1ccccn1 4a_100000184044_100000210104 [0,0,0,0,0,0|3,0,1]=4 116 B15R1.138 CCCCC=NNC(=O)c1cccnc1 4a_100000189771_100000210104 [0,0,0,0,0,0|3,0,1]=4 117 B15R1.138 CCCCC=NNC(=O)c1ccncc1 4a_100000189768_100000210104 [0,0,0,0,0,0|3,0,1]=4 118 B15R1.138 CCCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210614 [0,0,0,0,0,0|1,0,0]=1 119 B15R1.138 CCCCCCCN(C)c1ccccc1 2230a_100000210012_100000210681 [0,0,0,0,0,0|3,0,0]=3 120 B15R1.138 CCCCCCCN(C)c1ccccc1 269982a_100000210012_100000210681 [0,0,0,0,0,0|3,0,0]=3 121 B15R1.138 CCCCCCCN(C)c1ccccc1 34a_100000210012_100000210614 [0,0,0,0,0,0|3,0,0]=3 122 B15R1.138 CCCCCCNC(=O)c1ccccc1 11a_100000210581_100000185807 [0,0,0,0,0,0|1,0,0]=1 123 B15R1.138 CCCCCCNC(=O)c1ccccc1 1626a_100000210581_100000185807 [0,0,0,0,0,0|1,0,0]=1 124 B15R1.138 CCCCCCNC(=O)c1ccccc1 240690a_100000210581_100000185807 [0,0,0,0,0,0|1,0,0]=1 125 B15R1.138 CCCCCCNC(=O)c1ccccc1 527a_100000210581_100000185807 [0,0,0,0,0,0|1,0,0]=1 126 B15R1.138 CCCCCCNC(C)c1ccccc1 2230a_100000210581_100000230085 [0,0,0,0,0,0|2,0,1]=3 127 B15R1.138 CCCCCCNC(C)c1ccccc1 269862a_100000210581_100000185851 [0,0,0,0,0,0|2,0,1]=3 128 B15R1.138 CCCCCCNC(C)c1ccccn1 2230a_100000181244_100000210314 [0,0,0,0,0,0|3,0,1]=4 129 B15R1.138 CCCCCCNC(C)c1ccccn1 269862a_100000210581_100000210467 [0,0,0,0,0,0|3,0,1]=4 130 B15R1.138 CCCCCCNC(C)c1cccnc1 2230a_100000195435_100000210314 [0,0,0,0,0,0|3,0,1]=4 131 B15R1.138 CCCCCCNC(C)c1cccnc1 269862a_100000210581_100000210468 [0,0,0,0,0,0|3,0,1]=4 132 B15R1.138 CCCCCCNC(C)c1ccncc1 2230a_100000181269_100000210314 [0,0,0,0,0,0|3,0,1]=4 133 B15R1.138 CCCCCCNC(C)c1ccncc1 269862a_100000210581_100000185792 [0,0,0,0,0,0|3,0,1]=4 134 B15R1.138 CCCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210314 [0,0,0,0,0,0|2,0,1]=3 135 B15R1.138 CCCCCCOC(C)c1ccccc1 34a_100000210259_100000211855 [0,0,0,0,0,0|1,0,1]=2 136 B15R1.138 CCCCCCOC(C)c1ccccc1 7a_100000210259_100000230085 [0,0,0,0,0,0|1,0,1]=2 137 B15R1.138 CCCCCCOC(C)c1cnccn1 7a_100000210259_200000703233 [0,0,0,0,0,0|3,0,1]=4 138 B15R1.138 CCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210314 [0,0,0,0,0,0|1,0,1]=2 139 B15R1.138 CCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210314 [0,0,0,0,0,0|1,0,1]=2 140 B15R1.138 CCCCCCSC(C)c1ccccc1 62a_100000210314_100000230085 [0,0,0,0,0,0|1,1,1]=3 141 B15R1.138 CCCCCCSC(C)c1ccccc1 62a_100000230085_100000210757 [0,0,0,0,0,0|1,1,1]=3 142 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000209983_100000756946 [0,0,0,0,0,0|3,0,1]=4 143 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000701038_100000210326 [0,0,0,0,0,0|3,0,1]=4 144 B15R1.138 CCCCCNCC(C)c1ccccc1 270004a_100000209983_100000212034 [0,0,0,0,0,0|3,0,1]=4 145 B15R1.138 CCCCCNCC(C)c1ccccc1 34a_100000701038_100000718602 [0,0,0,0,0,0|3,0,1]=4 146 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000209983_100000185958 [0,0,0,0,0,0|2,0,2]=4 147 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210326 [0,0,0,0,0,0|2,0,2]=4 148 B15R1.138 CCCCCNC[C@@H](O)c1ccccc1 2230a_100000209983_100011933945 [0,0,0,0,0,0|2,0,2]=4 149 B15R1.138 CCCCCNN=C(C)c1ccccc1 4a_100000694160_100000185851 [0,0,0,0,0,0|3,0,0]=3 150 B15R1.138 CCCCCNN=C(C)c1ccccn1 4a_100000694160_100000210467 [0,0,0,0,0,0|4,0,0]=4 151 B15R1.138 CCCCCNN=C(C)c1cccnc1 4a_100000694160_100000210468 [0,0,0,0,0,0|4,0,0]=4 152 B15R1.138 CCCCCNN=C(C)c1ccncc1 4a_100000694160_100000185792 [0,0,0,0,0,0|4,0,0]=4 153 B15R1.138 CCCCCNNC(=O)c1ccccc1 22a_100000694160_100000185807 [0,0,0,0,0,0|2,0,0]=2 154 B15R1.138 CCCCCOCC(=O)c1ccccc1 7a_100000210253_100000211460 [0,0,0,0,0,0|2,0,0]=2 155 B15R1.138 CCCCCOCC(=O)c1ccccn1 34a_100000210253_100000027445 [0,0,0,0,0,0|3,0,0]=3 156 B15R1.138 CCCCCOCC(=O)c1ccccn1 7a_100000210253_100000027445 [0,0,0,0,0,0|3,0,0]=3 157 B15R1.138 CCCCCOCC(=O)c1ccncc1 7a_100000210253_100015248511 [0,0,0,0,0,0|3,0,0]=3 158 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100000210253_100000756946 [0,0,0,0,0,0|3,0,1]=4 159 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100011215166_100000718602 [0,0,0,0,0,0|3,0,1]=4 160 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100000210253_100000756946 [0,0,0,0,0,0|3,0,1]=4 161 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100011215166_100000210326 [0,0,0,0,0,0|3,0,1]=4 162 B15R1.138 CCCCCOCC(O)c1ccccc1 34a_100000210253_100000185958 [0,0,0,0,0,0|2,0,2]=4 163 B15R1.138 CCCCCOCC(O)c1ccccc1 7a_100000210253_100000185958 [0,0,0,0,0,0|2,0,2]=4 164 B15R1.138 CCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000718602 [0,0,0,0,0,0|3,0,1]=4 165 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 34a_100000210253_100011933945 [0,0,0,0,0,0|2,0,2]=4 166 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 7a_100000210253_100011933945 [0,0,0,0,0,0|2,0,2]=4 167 B15R1.138 CCCCCSCC(=O)c1ccccc1 62a_100000210326_100000211460 [0,0,0,0,0,0|2,0,0]=2 168 B15R1.138 CCCCCSCC(=O)c1ccccc1 62a_100000211460_100000210326 [0,0,0,0,0,0|2,0,0]=2 169 B15R1.138 CCCCCSCC(=O)c1ccccn1 62a_100000027445_100000210326 [0,0,0,0,0,0|3,0,0]=3 170 B15R1.138 CCCCCSCC(=O)c1ccccn1 62a_100000210326_100000027445 [0,0,0,0,0,0|3,0,0]=3 171 B15R1.138 CCCCCSCC(=O)c1cccnc1 62a_100000210326_100000757877 [0,0,0,0,0,0|3,0,0]=3 172 B15R1.138 CCCCCSCC(=O)c1cccnc1 62a_100000757877_100000210326 [0,0,0,0,0,0|3,0,0]=3 173 B15R1.138 CCCCCSCC(=O)c1ccncc1 62a_100000027454_100000210326 [0,0,0,0,0,0|3,0,0]=3 174 B15R1.138 CCCCCSCC(=O)c1ccncc1 62a_100000210326_100000027454 [0,0,0,0,0,0|3,0,0]=3 175 B15R1.138 CCCCCSCC(=O)c1ncccn1 62a_100000210326_100020636365 [0,0,0,0,0,0|4,0,0]=4 176 B15R1.138 CCCCCSCC(=O)c1ncccn1 62a_100020636365_100000210326 [0,0,0,0,0,0|4,0,0]=4 177 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000210326_100000756946 [0,0,0,0,0,0|3,0,1]=4 178 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000756946_100000210326 [0,0,0,0,0,0|3,0,1]=4 179 B15R1.138 CCCCCSCC(O)c1ccccc1 62a_100000185958_100000210326 [0,0,0,0,0,0|2,0,2]=4 180 B15R1.138 CCCCCSCC(O)c1ccccc1 62a_100000210326_100000185958 [0,0,0,0,0,0|2,0,2]=4 181 B15R1.138 CCCCCSCS(=O)c1ccccc1 62a_100000210326_100000031784 [0,0,0,0,0,0|3,0,0]=3 182 B15R1.138 CCCCCSC[C@@H](O)c1ccccc1 62a_100000210326_100011933945 [0,0,0,0,0,0|2,0,2]=4 183 B15R1.138 CCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210326 [0,0,0,0,0,0|2,0,2]=4 184 B15R1.138 CCCCNCCC(=O)c1ccccc1 2230a_100000102301_100000750707 [0,0,0,0,0,0|2,0,0]=2 185 B15R1.138 CCCCNCCC(=O)c1ccccc1 7a_106832991798_100000750707 [0,0,0,0,0,0|2,0,0]=2 186 B15R1.138 CCCCNCCC(C)c1ccccc1 270004a_100000102301_100000189432 [0,0,0,0,0,0|3,0,1]=4 187 B15R1.138 CCCCNCCC(O)c1ccccc1 2230a_100000763605_100000210211 [0,0,0,0,0,0|2,0,2]=4 188 B15R1.138 CCCCNCCS(=O)c1ccccc1 2230a_100000102301_100000740319 [0,0,0,0,0,0|3,0,0]=3 189 B15R1.138 CCCCNCCS(=O)c1ccccc1 7a_106832991798_100000740319 [0,0,0,0,0,0|3,0,0]=3 190 B15R1.138 CCCCNCC[C@@H](O)c1ccccc1 2230a_100000102301_100000729684 [0,0,0,0,0,0|2,0,2]=4 191 B15R1.138 CCCCNCC[C@@H](O)c1ccccc1 7a_106832991798_100000729684 [0,0,0,0,0,0|2,0,2]=4 192 B15R1.138 CCCCNCOC(=O)c1ccccc1 7a_106832991798_100000073877 [0,0,0,0,0,0|1,0,0]=1 193 B15R1.138 CCCCOCCC(=O)c1ccccc1 1458a_100000185807_100000743108 [0,0,0,0,0,0|2,0,0]=2 194 B15R1.138 CCCCOCCC(=O)c1ccccc1 7a_100000210227_100000750707 [0,0,0,0,0,0|2,0,0]=2 195 B15R1.138 CCCCOCCN(C)c1ccccc1 2230a_100000210012_100000743108 [0,0,0,0,0,0|4,0,0]=4 196 B15R1.138 CCCCOCCN(C)c1ccccc1 269982a_100000210012_100000743108 [0,0,0,0,0,0|4,0,0]=4 197 B15R1.138 CCCCOCCN(C)c1ccccc1 34a_100000210012_100000743108 [0,0,0,0,0,0|4,0,0]=4 198 B15R1.138 CCCCOCCS(=O)c1ccccc1 7a_100000210227_100000740319 [0,0,0,0,0,0|3,0,0]=3 199 B15R1.138 CCCCOCC[C@@H](O)c1ccccc1 34a_100000210227_100000729684 [0,0,0,0,0,0|2,0,2]=4 200 B15R1.138 CCCCOCC[C@@H](O)c1ccccc1 7a_100000210227_100000729684 [0,0,0,0,0,0|2,0,2]=4 201 B15R1.138 CCCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210210 [0,0,0,0,0,0|3,0,1]=4 202 B15R1.138 CCCCOCN[C@H](C)c1ccccc1 2230a_100000751104_100011995733 [0,0,0,0,0,0|3,0,1]=4 203 B15R1.138 CCCCOCOC(=O)c1ccccc1 7a_100000210227_100000073877 [0,0,0,0,0,0|1,0,0]=1 204 B15R1.138 CCCCOCO[C@H](C)c1ccccc1 34a_100000761318_100011995733 [0,0,0,0,0,0|2,0,1]=3 205 B15R1.138 CCCCOCSC(C)c1ccccc1 62a_100000230085_100011995733 [0,0,0,0,0,0|2,1,1]=4 206 B15R1.138 CCCCOCSC(C)c1ccccc1 62a_100011995733_100000230085 [0,0,0,0,0,0|2,1,1]=4 207 B15R1.138 CCCCSCCC(=O)c1ccccc1 62a_100000210211_100000750707 [0,0,0,0,0,0|2,0,0]=2 208 B15R1.138 CCCCSCCC(=O)c1ccccc1 62a_100000750707_100000210210 [0,0,0,0,0,0|2,0,0]=2 209 B15R1.138 CCCCSCCS(=O)c1ccccc1 62a_100000210211_100000740319 [0,0,0,0,0,0|3,0,0]=3 210 B15R1.138 CCCCSCC[C@@H](O)c1ccccc1 62a_100000210211_100000729684 [0,0,0,0,0,0|2,0,2]=4 211 B15R1.138 CCCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210210 [0,0,0,0,0,0|2,0,2]=4 212 B15R1.138 CCCCSCOC(=O)c1ccccc1 62a_100000073877_100000210210 [0,0,0,0,0,0|1,0,0]=1 213 B15R1.138 CCCCSCOC(=O)c1ccccc1 62a_100000210211_100000073877 [0,0,0,0,0,0|1,0,0]=1 214 B15R1.138 CCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210303 [0,0,0,0,0,0|2,0,0]=2 215 B15R1.138 CCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210303 [0,0,0,0,0,0|3,0,0]=3 216 B15R1.138 CCCOCCCC(N)c1ccccc1 34a_100000759318_100000210303 [0,0,0,0,0,0|3,0,1]=4 217 B15R1.138 CCCOCCNC(=O)c1ccccc1 1626a_100161115042_100000185807 [0,0,0,0,0,0|2,0,0]=2 218 B15R1.138 CCCOCCNC(=O)c1ccccc1 240690a_100161115042_100000185807 [0,0,0,0,0,0|2,0,0]=2 219 B15R1.138 CCCOCCNC(=O)c1ccccc1 34a_200000158897_100000210303 [0,0,0,0,0,0|2,0,0]=2 220 B15R1.138 CCCOCCNC(=O)c1ccccc1 527a_100161115042_100000185807 [0,0,0,0,0,0|2,0,0]=2 221 B15R1.138 CCCOCCNC(=O)c1ccccc1 7a_200000158897_100000210303 [0,0,0,0,0,0|2,0,0]=2 222 B15R1.138 CCCOCCNC(C)c1ccccc1 2230a_100161115042_100000230085 [0,0,0,0,0,0|3,0,1]=4 223 B15R1.138 CCCOCCNC(C)c1ccccc1 269862a_100161115042_100000185851 [0,0,0,0,0,0|3,0,1]=4 224 B15R1.138 CCCOCCNC(C)c1ccccc1 34a_100161115042_100000211855 [0,0,0,0,0,0|3,0,1]=4 225 B15R1.138 CCCOCCN[C@H](C)c1ccccc1 2230a_100000751104_100011215938 [0,0,0,0,0,0|3,0,1]=4 226 B15R1.138 CCCOCCOC(=O)c1ccccc1 34a_100000210258_100009812718 [0,0,0,0,0,0|1,0,0]=1 227 B15R1.138 CCCOCCOC(=O)c1ccccc1 7a_100000025465_100000210303 [0,0,0,0,0,0|1,0,0]=1 228 B15R1.138 CCCOCCOC(C)c1ccccc1 34a_100000752267_100000211855 [0,0,0,0,0,0|2,0,1]=3 229 B15R1.138 CCCOCCOC(C)c1ccccc1 7a_100000752267_100000230085 [0,0,0,0,0,0|2,0,1]=3 230 B15R1.138 CCCOCCO[C@H](C)c1ccccc1 34a_100000761318_100011215938 [0,0,0,0,0,0|2,0,1]=3 231 B15R1.138 CCCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215938 [0,0,0,0,0,0|2,0,1]=3 232 B15R1.138 CCCOCCSC(C)c1ccccc1 62a_100000230085_100011215938 [0,0,0,0,0,0|2,1,1]=4 233 B15R1.138 CCCOCCSC(C)c1ccccc1 62a_100011215938_100000230085 [0,0,0,0,0,0|2,1,1]=4 234 B15R1.138 CCCSCCCC(=O)c1ccccc1 62a_100000210303_100000211006 [0,0,0,0,0,0|2,0,0]=2 235 B15R1.138 CCCSCCCC(=O)c1ccccc1 62a_100000211006_100000210303 [0,0,0,0,0,0|2,0,0]=2 236 B15R1.138 CCCSCCNC(=O)c1ccccc1 11a_100020603323_100000185807 [0,0,0,0,0,0|2,0,0]=2 237 B15R1.138 CCCSCCNC(=O)c1ccccc1 240690a_100020603323_100000185807 [0,0,0,0,0,0|2,0,0]=2 238 B15R1.138 CCCSCCNC(=O)c1ccccc1 527a_100020603323_100000185807 [0,0,0,0,0,0|2,0,0]=2 239 B15R1.138 CCCSCCNC(=O)c1ccccc1 62a_100000210303_200011215302 [0,0,0,0,0,0|2,0,0]=2 240 B15R1.138 CCCSCCNC(=O)c1ccccc1 62a_200011215302_100000210303 [0,0,0,0,0,0|2,0,0]=2 241 B15R1.138 CCCSCCNC(C)c1ccccc1 2230a_100020603323_100000230085 [0,0,0,0,0,0|3,0,1]=4 242 B15R1.138 CCCSCCNC(C)c1ccccc1 269862a_100020603323_100000185851 [0,0,0,0,0,0|3,0,1]=4 243 B15R1.138 CCCSCCOC(=O)c1ccccc1 62a_100000210303_100009812718 [0,0,0,0,0,0|1,0,0]=1 244 B15R1.138 CCCSCCOC(=O)c1ccccc1 62a_100009812718_100000210303 [0,0,0,0,0,0|1,0,0]=1 245 B15R1.138 CCCSCCOC(C)c1ccccc1 34a_200000230433_100000211855 [0,0,0,0,0,0|2,0,1]=3 246 B15R1.138 CCCSCCOC(C)c1ccccc1 7a_200000230433_100000230085 [0,0,0,0,0,0|2,0,1]=3 247 B15R1.138 CCNCCCOC(C)c1ccccc1 2230a_100000206020_100000210202 [0,0,0,0,0,0|2,0,1]=3 248 B15R1.138 CCNCCCOC(C)c1ccccc1 34a_100000206020_100000210202 [0,0,0,0,0,0|2,0,1]=3 249 B15R1.138 CCOCCCCN(C)c1ccccc1 7a_100011305536_100000210202 [0,0,0,0,0,0|4,0,0]=4 250 B15R1.138 CCOCCCNC(=O)c1ccccc1 11a_100000210961_100000185807 [0,0,0,0,0,0|2,0,0]=2 251 B15R1.138 CCOCCCNC(=O)c1ccccc1 1626a_100000210961_100000185807 [0,0,0,0,0,0|2,0,0]=2 252 B15R1.138 CCOCCCNC(=O)c1ccccc1 240690a_100000210961_100000185807 [0,0,0,0,0,0|2,0,0]=2 253 B15R1.138 CCOCCCNC(=O)c1ccccc1 527a_100000210961_100000185807 [0,0,0,0,0,0|2,0,0]=2 254 B15R1.138 CCOCCCNC(C)c1ccccc1 2230a_100000210961_100000230085 [0,0,0,0,0,0|3,0,1]=4 255 B15R1.138 CCOCCCNC(C)c1ccccc1 269862a_100000210961_100000185851 [0,0,0,0,0,0|3,0,1]=4 256 B15R1.138 CCOCCCNC(C)c1ccccc1 34a_100000210961_100000211855 [0,0,0,0,0,0|3,0,1]=4 257 B15R1.138 CCOCCCN[C@H](C)c1ccccc1 2230a_100000751104_100012232248 [0,0,0,0,0,0|3,0,1]=4 258 B15R1.138 CCOCCCOC(=O)c1ccccc1 34a_100121572206_200009892979 [0,0,0,0,0,0|1,0,0]=1 259 B15R1.138 CCOCCCOC(C)c1ccccc1 34a_100000757476_100000211855 [0,0,0,0,0,0|2,0,1]=3 260 B15R1.138 CCOCCCOC(C)c1ccccc1 7a_100000757476_100000230085 [0,0,0,0,0,0|2,0,1]=3 261 B15R1.138 CCOCCCO[C@H](C)c1ccccc1 34a_100000761318_100012232248 [0,0,0,0,0,0|2,0,1]=3 262 B15R1.138 CCOCCCO[C@H](C)c1ccccc1 7a_100000761318_100012232248 [0,0,0,0,0,0|2,0,1]=3 263 B15R1.138 CCOCCCSC(C)c1ccccc1 62a_100000230085_100012232248 [0,0,0,0,0,0|2,1,1]=4 264 B15R1.138 CCOCCCSC(C)c1ccccc1 62a_100012232248_100000230085 [0,0,0,0,0,0|2,1,1]=4 265 B15R1.138 CCOCCNCC(=O)c1ccccn1 34a_102516460346_100000027445 [0,0,0,0,0,0|4,0,0]=4 266 B15R1.138 CCOCCNN=C(C)c1ccccc1 4a_100000732670_100000185851 [0,0,0,0,0,0|4,0,0]=4 267 B15R1.138 CCOCCNNC(=O)c1ccccc1 22a_100000732670_100000185807 [0,0,0,0,0,0|3,0,0]=3 268 B15R1.138 CCOCCOCC(=O)c1ccccc1 7a_100000210136_100000211460 [0,0,0,0,0,0|3,0,0]=3 269 B15R1.138 CCOCCOCC(=O)c1ccccn1 34a_100000210136_100000027445 [0,0,0,0,0,0|4,0,0]=4 270 B15R1.138 CCOCCOCC(=O)c1ccccn1 7a_100000210136_100000027445 [0,0,0,0,0,0|4,0,0]=4 271 B15R1.138 CCOCCOCC(=O)c1ccncc1 7a_100000210136_100015248511 [0,0,0,0,0,0|4,0,0]=4 272 B15R1.138 CCOCCSCC(=O)c1ccccc1 62a_100000210147_100000211460 [0,0,0,0,0,0|3,0,0]=3 273 B15R1.138 CCOCCSCC(=O)c1ccccc1 62a_100000211460_100011215890 [0,0,0,0,0,0|3,0,0]=3 274 B15R1.138 CCOCCSCC(=O)c1ccccn1 62a_100000027445_100011215890 [0,0,0,0,0,0|4,0,0]=4 275 B15R1.138 CCOCCSCC(=O)c1ccccn1 62a_100000210147_100000027445 [0,0,0,0,0,0|4,0,0]=4 276 B15R1.138 CCOCCSCC(=O)c1cccnc1 62a_100000210147_100000757877 [0,0,0,0,0,0|4,0,0]=4 277 B15R1.138 CCOCCSCC(=O)c1cccnc1 62a_100000757877_100011215890 [0,0,0,0,0,0|4,0,0]=4 278 B15R1.138 CCOCCSCC(=O)c1ccncc1 62a_100000027454_100011215890 [0,0,0,0,0,0|4,0,0]=4 279 B15R1.138 CCOCCSCC(=O)c1ccncc1 62a_100000210147_100000027454 [0,0,0,0,0,0|4,0,0]=4 280 B15R1.138 CCOCCSCS(=O)c1ccccc1 62a_100000210147_100000031784 [0,0,0,0,0,0|4,0,0]=4 281 B15R1.138 CCOCSCCC(=O)c1ccccc1 62a_100000739092_100000750707 [0,0,0,0,0,0|3,0,0]=3 282 B15R1.138 CCOCSCCC(=O)c1ccccc1 62a_100000750707_100000739092 [0,0,0,0,0,0|3,0,0]=3 283 B15R1.138 CCOCSCCS(=O)c1ccccc1 62a_100000739092_100000740319 [0,0,0,0,0,0|4,0,0]=4 284 B15R1.138 CCOCSCOC(=O)c1ccccc1 62a_100000073877_100000739092 [0,0,0,0,0,0|2,0,0]=2 285 B15R1.138 CCOCSCOC(=O)c1ccccc1 62a_100000739092_100000073877 [0,0,0,0,0,0|2,0,0]=2 286 B15R1.138 CCSCCCOC(=O)c1ccccc1 62a_100000210202_200009892979 [0,0,0,0,0,0|1,0,0]=1 287 B15R1.138 CCSCCCOC(=O)c1ccccc1 62a_200009892979_100000210202 [0,0,0,0,0,0|1,0,0]=1 288 B15R1.138 CCSCCCOC(C)c1ccccc1 34a_100011216438_100000211855 [0,0,0,0,0,0|2,0,1]=3 289 B15R1.138 CCSCCCOC(C)c1ccccc1 7a_100011216438_100000230085 [0,0,0,0,0,0|2,0,1]=3 290 B15R1.138 CCSCCOCC(=O)c1ccccc1 7a_100000212035_100000211460 [0,0,0,0,0,0|3,0,0]=3 291 B15R1.138 CCSCCOCC(=O)c1ccccn1 34a_100000212035_100000027445 [0,0,0,0,0,0|4,0,0]=4 292 B15R1.138 CCSCCOCC(=O)c1ccccn1 7a_100000212035_100000027445 [0,0,0,0,0,0|4,0,0]=4 293 B15R1.138 CCSCCOCC(=O)c1ccncc1 7a_100000212035_100015248511 [0,0,0,0,0,0|4,0,0]=4 294 B15R1.138 CCSCCSCC(=O)c1ccccc1 62a_100000211460_100000757381 [0,0,0,0,0,0|3,0,0]=3 295 B15R1.138 CCSCCSCC(=O)c1ccccc1 62a_100000757381_100000211460 [0,0,0,0,0,0|3,0,0]=3 296 B15R1.138 CCSCCSCC(=O)c1ccccn1 62a_100000027445_100000757381 [0,0,0,0,0,0|4,0,0]=4 297 B15R1.138 CCSCCSCC(=O)c1ccccn1 62a_100000757381_100000027445 [0,0,0,0,0,0|4,0,0]=4 298 B15R1.138 CCSCCSCC(=O)c1cccnc1 62a_100000757381_100000757877 [0,0,0,0,0,0|4,0,0]=4 299 B15R1.138 CCSCCSCC(=O)c1cccnc1 62a_100000757877_100000757381 [0,0,0,0,0,0|4,0,0]=4 300 B15R1.138 CCSCCSCC(=O)c1ccncc1 62a_100000027454_100000757381 [0,0,0,0,0,0|4,0,0]=4 301 B15R1.138 CCSCCSCC(=O)c1ccncc1 62a_100000757381_100000027454 [0,0,0,0,0,0|4,0,0]=4 302 B15R1.138 CCSCCSCS(=O)c1ccccc1 62a_100000757381_100000031784 [0,0,0,0,0,0|4,0,0]=4 303 B15R1.138 CN(CCCCCCF)c1ccccc1 2230a_100000210012_100015922095 [0,0,0,0,0,0|4,0,0]=4 304 B15R1.138 CN(CCCCCCF)c1ccccc1 269982a_100000210012_100015922095 [0,0,0,0,0,0|4,0,0]=4 305 B15R1.138 CN(CCCCCCF)c1ccccc1 34a_100000210012_100015922095 [0,0,0,0,0,0|4,0,0]=4 306 B15R1.138 CN(CCCCCCO)c1ccccc1 2230a_100000210012_100000766143 [0,0,0,0,0,0|4,0,0]=4 307 B15R1.138 CN(CCCCCCO)c1ccccc1 269982a_100000210012_100000766143 [0,0,0,0,0,0|4,0,0]=4 308 B15R1.138 CN(CCCCCCO)c1ccccc1 34a_100000210012_100000766143 [0,0,0,0,0,0|4,0,0]=4 309 B15R1.138 CNCCCCOC(=O)c1ccccc1 34a_100102657272_100000039408 [0,0,0,0,0,0|1,0,0]=1 310 B15R1.138 CNCCCCOC(=O)c1ccccc1 7a_106832991635_100000039408 [0,0,0,0,0,0|1,0,0]=1 311 B15R1.138 CNCCCOCC(=O)c1ccccn1 34a_100000213112_100000027445 [0,0,0,0,0,0|4,0,0]=4 312 B15R1.138 COCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000730899 [0,0,0,0,0,0|3,0,1]=4 313 B15R1.138 COCCCCOC(=O)c1ccccc1 34a_100138415774_100000039408 [0,0,0,0,0,0|1,0,0]=1 314 B15R1.138 COCCCCOC(C)c1ccccc1 34a_100000740925_100000211855 [0,0,0,0,0,0|2,0,1]=3 315 B15R1.138 COCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000755781 [0,0,0,0,0,0|2,0,1]=3 316 B15R1.138 COCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000730899 [0,0,0,0,0,0|2,0,1]=3 317 B15R1.138 COCCCCSC(C)c1ccccc1 62a_100000230085_100000730899 [0,0,0,0,0,0|2,1,1]=4 318 B15R1.138 COCCCCSC(C)c1ccccc1 62a_100000730899_100000230085 [0,0,0,0,0,0|2,1,1]=4 319 B15R1.138 COCCCNCC(=O)c1ccccn1 34a_100150723488_100000027445 [0,0,0,0,0,0|4,0,0]=4 320 B15R1.138 COCCCNNC(=O)c1ccccc1 22a_100025702787_100000185807 [0,0,0,0,0,0|3,0,0]=3 321 B15R1.138 COCCCOCC(=O)c1ccccn1 34a_100000740835_100000027445 [0,0,0,0,0,0|4,0,0]=4 322 B15R1.138 COCCCSCC(=O)c1ccccc1 62a_100000211460_100000709357 [0,0,0,0,0,0|3,0,0]=3 323 B15R1.138 COCCCSCC(=O)c1ccccc1 62a_100000709357_100000211460 [0,0,0,0,0,0|3,0,0]=3 324 B15R1.138 COCCCSCC(=O)c1ccccn1 62a_100000027445_100000709357 [0,0,0,0,0,0|4,0,0]=4 325 B15R1.138 COCCCSCC(=O)c1ccccn1 62a_100000709357_100000027445 [0,0,0,0,0,0|4,0,0]=4 326 B15R1.138 COCCCSCC(=O)c1cccnc1 62a_100000709357_100000757877 [0,0,0,0,0,0|4,0,0]=4 327 B15R1.138 COCCCSCC(=O)c1cccnc1 62a_100000757877_100000709357 [0,0,0,0,0,0|4,0,0]=4 328 B15R1.138 COCCCSCC(=O)c1ccncc1 62a_100000027454_100000709357 [0,0,0,0,0,0|4,0,0]=4 329 B15R1.138 COCCCSCC(=O)c1ccncc1 62a_100000709357_100000027454 [0,0,0,0,0,0|4,0,0]=4 330 B15R1.138 COCCCSCS(=O)c1ccccc1 62a_100000709357_100000031784 [0,0,0,0,0,0|4,0,0]=4 331 B15R1.138 COCCNCCC(=O)c1ccccc1 2230a_100000209980_100000750707 [0,0,0,0,0,0|3,0,0]=3 332 B15R1.138 COCCNCCS(=O)c1ccccc1 2230a_100000209980_100000740319 [0,0,0,0,0,0|4,0,0]=4 333 B15R1.138 COCCOCCC(=O)c1ccccc1 1458a_100000185807_100000695917 [0,0,0,0,0,0|3,0,0]=3 334 B15R1.138 COCCSCCC(=O)c1ccccc1 62a_100000233755_100000750707 [0,0,0,0,0,0|3,0,0]=3 335 B15R1.138 COCCSCCC(=O)c1ccccc1 62a_100000750707_100000233755 [0,0,0,0,0,0|3,0,0]=3 336 B15R1.138 COCCSCCS(=O)c1ccccc1 62a_100000233755_100000740319 [0,0,0,0,0,0|4,0,0]=4 337 B15R1.138 COCCSCOC(=O)c1ccccc1 62a_100000073877_100000233755 [0,0,0,0,0,0|2,0,0]=2 338 B15R1.138 COCCSCOC(=O)c1ccccc1 62a_100000233755_100000073877 [0,0,0,0,0,0|2,0,0]=2 339 B15R1.138 COCNCCNC(=O)c1ccccc1 2230a_100000736134_100000766300 [0,0,0,0,0,0|3,0,0]=3 340 B15R1.138 COCNCCNC(=O)c1ccncc1 2230a_200011198449_100000766300 [0,0,0,0,0,0|4,0,0]=4 341 B15R1.138 COCSCCCC(=O)c1ccccc1 62a_100000211006_100000766300 [0,0,0,0,0,0|3,0,0]=3 342 B15R1.138 COCSCCCC(=O)c1ccccc1 62a_100000766300_100000211006 [0,0,0,0,0,0|3,0,0]=3 343 B15R1.138 COCSCCNC(=O)c1ccccc1 62a_100000766300_200011215302 [0,0,0,0,0,0|3,0,0]=3 344 B15R1.138 COCSCCNC(=O)c1ccccc1 62a_200011215302_100000766300 [0,0,0,0,0,0|3,0,0]=3 345 B15R1.138 COCSCCOC(=O)c1ccccc1 62a_100000766300_100009812718 [0,0,0,0,0,0|2,0,0]=2 346 B15R1.138 COCSCCOC(=O)c1ccccc1 62a_100009812718_100000766300 [0,0,0,0,0,0|2,0,0]=2 347 B15R1.138 CSCCC=NNC(=O)c1ccccc1 4a_100000184135_100000210997 [0,0,0,0,0,0|3,0,1]=4 348 B15R1.138 CSCCCCOC(=O)c1ccccc1 62a_100000039408_200000210301 [0,0,0,0,0,0|1,0,0]=1 349 B15R1.138 CSCCCCOC(=O)c1ccccc1 62a_200000210301_100000039408 [0,0,0,0,0,0|1,0,0]=1 350 B15R1.138 CSCCCCOC(C)c1ccccc1 34a_100011217163_100000211855 [0,0,0,0,0,0|2,0,1]=3 351 B15R1.138 CSCCCCOC(C)c1ccccc1 7a_100011217163_100000230085 [0,0,0,0,0,0|2,0,1]=3 352 B15R1.138 CSCCCOCC(=O)c1ccccc1 7a_100000690336_100000211460 [0,0,0,0,0,0|3,0,0]=3 353 B15R1.138 CSCCCOCC(=O)c1ccccn1 34a_100000690336_100000027445 [0,0,0,0,0,0|4,0,0]=4 354 B15R1.138 CSCCCOCC(=O)c1ccccn1 7a_100000690336_100000027445 [0,0,0,0,0,0|4,0,0]=4 355 B15R1.138 CSCCCOCC(=O)c1ccncc1 7a_100000690336_100015248511 [0,0,0,0,0,0|4,0,0]=4 356 B15R1.138 CSCCNCCC(=O)c1ccccc1 2230a_100020590264_100000750707 [0,0,0,0,0,0|3,0,0]=3 357 B15R1.138 CSCCNCCS(=O)c1ccccc1 2230a_100020590264_100000740319 [0,0,0,0,0,0|4,0,0]=4 358 B15R1.138 CSCCOCCC(=O)c1ccccc1 7a_100000230434_100000750707 [0,0,0,0,0,0|3,0,0]=3 359 B15R1.138 CSCCOCCS(=O)c1ccccc1 7a_100000230434_100000740319 [0,0,0,0,0,0|4,0,0]=4 360 B15R1.138 CSCCOCOC(=O)c1ccccc1 7a_100000230434_100000073877 [0,0,0,0,0,0|2,0,0]=2 361 B15R1.138 CSCCSCCC(=O)c1ccccc1 62a_100000212216_100000750707 [0,0,0,0,0,0|3,0,0]=3 362 B15R1.138 CSCCSCCC(=O)c1ccccc1 62a_100000750707_100000751147 [0,0,0,0,0,0|3,0,0]=3 363 B15R1.138 CSCCSCCS(=O)c1ccccc1 62a_100000212216_100000740319 [0,0,0,0,0,0|4,0,0]=4 364 B15R1.138 CSCCSCOC(=O)c1ccccc1 62a_100000073877_100000751147 [0,0,0,0,0,0|2,0,0]=2 365 B15R1.138 CSCCSCOC(=O)c1ccccc1 62a_100000212216_100000073877 [0,0,0,0,0,0|2,0,0]=2 366 B15R1.138 CSCNCCNC(=O)c1ccccc1 2230a_100000736134_100011218213 [0,0,0,0,0,0|3,0,0]=3 367 B15R1.138 CSCNCCNC(=O)c1ccncc1 2230a_200011198449_100011218213 [0,0,0,0,0,0|4,0,0]=4 368 B15R1.138 CSCOCCNC(=O)c1ccccc1 34a_200000158897_100011218213 [0,0,0,0,0,0|3,0,0]=3 369 B15R1.138 CSCSCCCC(=O)c1ccccc1 62a_100000211006_100011218213 [0,0,0,0,0,0|3,0,0]=3 370 B15R1.138 CSCSCCCC(=O)c1ccccc1 62a_100011218213_100000211006 [0,0,0,0,0,0|3,0,0]=3 371 B15R1.138 CSCSCCNC(=O)c1ccccc1 62a_100011218213_200011215302 [0,0,0,0,0,0|3,0,0]=3 372 B15R1.138 CSCSCCNC(=O)c1ccccc1 62a_200011215302_100011218213 [0,0,0,0,0,0|3,0,0]=3 373 B15R1.138 CSCSCCOC(=O)c1ccccc1 62a_100009812718_100011218213 [0,0,0,0,0,0|2,0,0]=2 374 B15R1.138 CSCSCCOC(=O)c1ccccc1 62a_100011218213_100009812718 [0,0,0,0,0,0|2,0,0]=2 375 B15R1.138 C[C@@H](NCCCCCF)c1ccccc1 2230a_100000751104_100000729378 [0,0,0,0,0,0|3,0,1]=4 376 B15R1.138 C[C@@H](NCCCCCO)c1ccccc1 2230a_100000751104_100000746330 [0,0,0,0,0,0|3,0,1]=4 377 B15R1.138 C[C@@H](OCCCCC#N)c1ccccc1 7a_100000761318_100000211819 [0,0,0,0,0,0|2,0,2]=4 378 B15R1.138 C[C@@H](OCCCCC=O)c1ccccc1 7a_100000761318_100000139335 [0,0,0,0,0,0|2,0,2]=4 379 B15R1.138 C[C@@H](OCCCCCF)c1ccccc1 34a_100000761318_100000729378 [0,0,0,0,0,0|2,0,1]=3 380 B15R1.138 C[C@@H](OCCCCCF)c1ccccc1 7a_100000761318_100000729378 [0,0,0,0,0,0|2,0,1]=3 381 B15R1.138 C[C@@H](OCCCCCO)c1ccccc1 34a_100000761318_100000746330 [0,0,0,0,0,0|2,0,1]=3 382 B15R1.138 C[C@@H](OCCCCCO)c1ccccc1 7a_100000761318_100000746330 [0,0,0,0,0,0|2,0,1]=3 383 B15R1.138 C[C@@H](OCCOCCO)c1ccccc1 34a_100000761318_100000692535 [0,0,0,0,0,0|3,0,1]=4 384 B15R1.138 C[C@@H](OCCOCCO)c1ccccc1 7a_100000761318_100011215305 [0,0,0,0,0,0|3,0,1]=4 385 B15R1.138 N#CCCCCCC(=O)c1ccccc1 1458a_100000185807_100009813376 [0,0,0,0,0,0|2,0,1]=3 386 B15R1.138 N#CCCCCNC(=O)c1ccccc1 11a_100000751965_100000185807 [0,0,0,0,0,0|2,0,1]=3 387 B15R1.138 N#CCCCCNC(=O)c1ccccc1 1626a_100000751965_100000185807 [0,0,0,0,0,0|2,0,1]=3 388 B15R1.138 N#CCCCCNC(=O)c1ccccc1 240690a_100000751965_100000185807 [0,0,0,0,0,0|2,0,1]=3 389 B15R1.138 N#CCCCCNC(=O)c1ccccc1 527a_100000751965_100000185807 [0,0,0,0,0,0|2,0,1]=3 390 B15R1.138 N#CCCCSCC(=O)c1ccccc1 62a_100000211460_100000687738 [0,0,0,0,0,0|3,0,1]=4 391 B15R1.138 N#CCCCSCC(=O)c1ccccc1 62a_100000687738_100000211460 [0,0,0,0,0,0|3,0,1]=4 392 B15R1.138 N#CCCSCCC(=O)c1ccccc1 62a_100000750707_100011215226 [0,0,0,0,0,0|3,0,1]=4 393 B15R1.138 N#CCCSCCC(=O)c1ccccc1 62a_100011215226_100000750707 [0,0,0,0,0,0|3,0,1]=4 394 B15R1.138 N#CCCSCOC(=O)c1ccccc1 62a_100000073877_100011215226 [0,0,0,0,0,0|2,0,1]=3 395 B15R1.138 N#CCCSCOC(=O)c1ccccc1 62a_100011215226_100000073877 [0,0,0,0,0,0|2,0,1]=3 396 B15R1.138 N#CCNCCNC(=O)c1ccccc1 2230a_100000736134_100011215382 [0,0,0,0,0,0|3,0,1]=4 397 B15R1.138 N#CCOCCNC(=O)c1ccccc1 7a_200000158897_100011215382 [0,0,0,0,0,0|3,0,1]=4 398 B15R1.138 N#CCOCCOC(=O)c1ccccc1 7a_100000025465_100011215382 [0,0,0,0,0,0|2,0,1]=3 399 B15R1.138 N#CCSCCCC(=O)c1ccccc1 62a_100000211006_100011215382 [0,0,0,0,0,0|3,0,1]=4 400 B15R1.138 N#CCSCCCC(=O)c1ccccc1 62a_100011215382_100000211006 [0,0,0,0,0,0|3,0,1]=4 401 B15R1.138 N#CCSCCNC(=O)c1ccccc1 62a_100011215382_200011215302 [0,0,0,0,0,0|3,0,1]=4 402 B15R1.138 N#CCSCCNC(=O)c1ccccc1 62a_200011215302_100011215382 [0,0,0,0,0,0|3,0,1]=4 403 B15R1.138 N#CCSCCOC(=O)c1ccccc1 62a_100009812718_100011215382 [0,0,0,0,0,0|2,0,1]=3 404 B15R1.138 N#CCSCCOC(=O)c1ccccc1 62a_100011215382_100009812718 [0,0,0,0,0,0|2,0,1]=3 405 B15R1.138 N#CSCSCOC(=O)c1ccccc1 62a_100000073877_100000211825 [0,0,0,0,0,0|3,0,1]=4 406 B15R1.138 N#CSCSCOC(=O)c1ccccc1 62a_100000211825_100000073877 [0,0,0,0,0,0|3,0,1]=4 407 B15R1.138 NCCCCOCC(=O)c1ccccn1 34a_100000750430_100000027445 [0,0,0,0,0,0|4,0,0]=4 408 B15R1.138 NCCOCCOC(=O)c1ccccc1 34a_100000210304_100009812718 [0,0,0,0,0,0|2,0,0]=2 409 B15R1.138 O=C(CCCCCCF)c1ccccc1 1458a_100000185807_100015922095 [0,0,0,0,0,0|2,0,0]=2 410 B15R1.138 O=C(CCCCCCO)c1ccccc1 1458a_100000185807_100000766143 [0,0,0,0,0,0|2,0,0]=2 411 B15R1.138 O=C(CCCNCCO)c1ccccc1 2230a_100016997473_100000211006 [0,0,0,0,0,0|3,0,0]=3 412 B15R1.138 O=C(CCCSCCF)c1ccccc1 62a_100000211006_100011217306 [0,0,0,0,0,0|3,0,0]=3 413 B15R1.138 O=C(CCCSCCF)c1ccccc1 62a_100011217306_100000211006 [0,0,0,0,0,0|3,0,0]=3 414 B15R1.138 O=C(CCCSCCO)c1ccccc1 62a_100000211006_100000211926 [0,0,0,0,0,0|3,0,0]=3 415 B15R1.138 O=C(CCCSCCO)c1ccccc1 62a_100000211926_100000211006 [0,0,0,0,0,0|3,0,0]=3 416 B15R1.138 O=C(CCNCCCF)c1ccccc1 2230a_100015189416_100000750707 [0,0,0,0,0,0|3,0,0]=3 417 B15R1.138 O=C(CCSCCCF)c1ccccc1 62a_100000750707_100011934791 [0,0,0,0,0,0|3,0,0]=3 418 B15R1.138 O=C(CCSCCCF)c1ccccc1 62a_100011934791_100000750707 [0,0,0,0,0,0|3,0,0]=3 419 B15R1.138 O=C(CCSCCCO)c1ccccc1 62a_100000750707_100011215043 [0,0,0,0,0,0|3,0,0]=3 420 B15R1.138 O=C(CCSCCCO)c1ccccc1 62a_100011215043_100000750707 [0,0,0,0,0,0|3,0,0]=3 421 B15R1.138 O=C(CNCCCCO)c1ccccn1 34a_100000750430_100000027445 [0,0,0,0,0,0|4,0,0]=4 422 B15R1.138 O=C(COCCCCBr)c1ccccn1 34a_100011216708_100000027445 [0,0,0,0,0,0|4,0,0]=4 423 B15R1.138 O=C(COCCCCCl)c1ccccc1 7a_100000210776_100000211460 [0,0,0,0,0,0|3,0,0]=3 424 B15R1.138 O=C(COCCCCCl)c1ccccn1 34a_100000210776_100000027445 [0,0,0,0,0,0|4,0,0]=4 425 B15R1.138 O=C(COCCCCCl)c1ccccn1 7a_100000210776_100000027445 [0,0,0,0,0,0|4,0,0]=4 426 B15R1.138 O=C(COCCCCCl)c1ccncc1 7a_100000210776_100015248511 [0,0,0,0,0,0|4,0,0]=4 427 B15R1.138 O=C(COCCCCF)c1ccccc1 7a_100011995726_100000211460 [0,0,0,0,0,0|3,0,0]=3 428 B15R1.138 O=C(COCCCCF)c1ccccn1 34a_100011995726_100000027445 [0,0,0,0,0,0|4,0,0]=4 429 B15R1.138 O=C(COCCCCF)c1ccccn1 7a_100011995726_100000027445 [0,0,0,0,0,0|4,0,0]=4 430 B15R1.138 O=C(COCCCCF)c1ccncc1 7a_100011995726_100015248511 [0,0,0,0,0,0|4,0,0]=4 431 B15R1.138 O=C(COCCCCI)c1ccccn1 34a_200012148704_100000027445 [0,0,0,0,0,0|4,0,0]=4 432 B15R1.138 O=C(CSCCCCF)c1ccccc1 62a_100000211460_100000729493 [0,0,0,0,0,0|3,0,0]=3 433 B15R1.138 O=C(CSCCCCF)c1ccccc1 62a_100000729493_100000211460 [0,0,0,0,0,0|3,0,0]=3 434 B15R1.138 O=C(CSCCCCF)c1ccccn1 62a_100000027445_100000729493 [0,0,0,0,0,0|4,0,0]=4 435 B15R1.138 O=C(CSCCCCF)c1ccccn1 62a_100000729493_100000027445 [0,0,0,0,0,0|4,0,0]=4 436 B15R1.138 O=C(CSCCCCF)c1cccnc1 62a_100000729493_100000757877 [0,0,0,0,0,0|4,0,0]=4 437 B15R1.138 O=C(CSCCCCF)c1cccnc1 62a_100000757877_100000729493 [0,0,0,0,0,0|4,0,0]=4 438 B15R1.138 O=C(CSCCCCF)c1ccncc1 62a_100000027454_100000729493 [0,0,0,0,0,0|4,0,0]=4 439 B15R1.138 O=C(CSCCCCF)c1ccncc1 62a_100000729493_100000027454 [0,0,0,0,0,0|4,0,0]=4 440 B15R1.138 O=C(CSCCCCO)c1ccccc1 62a_100000210776_100000211460 [0,0,0,0,0,0|3,0,0]=3 441 B15R1.138 O=C(CSCCCCO)c1ccccc1 62a_100000211460_100000210776 [0,0,0,0,0,0|3,0,0]=3 442 B15R1.138 O=C(CSCCCCO)c1ccccn1 62a_100000027445_100000210776 [0,0,0,0,0,0|4,0,0]=4 443 B15R1.138 O=C(CSCCCCO)c1ccccn1 62a_100000210776_100000027445 [0,0,0,0,0,0|4,0,0]=4 444 B15R1.138 O=C(CSCCCCO)c1cccnc1 62a_100000210776_100000757877 [0,0,0,0,0,0|4,0,0]=4 445 B15R1.138 O=C(CSCCCCO)c1cccnc1 62a_100000757877_100000210776 [0,0,0,0,0,0|4,0,0]=4 446 B15R1.138 O=C(CSCCCCO)c1ccncc1 62a_100000027454_100000210776 [0,0,0,0,0,0|4,0,0]=4 447 B15R1.138 O=C(CSCCCCO)c1ccncc1 62a_100000210776_100000027454 [0,0,0,0,0,0|4,0,0]=4 448 B15R1.138 O=C(NCCCCCO)c1ccccc1 240690a_100000762737_100000185807 [0,0,0,0,0,0|2,0,0]=2 449 B15R1.138 O=C(NCCNCCF)c1ccccc1 2230a_100000736134_100011217306 [0,0,0,0,0,0|3,0,0]=3 450 B15R1.138 O=C(NCCNCCF)c1ccncc1 2230a_200011198449_100011217306 [0,0,0,0,0,0|4,0,0]=4 451 B15R1.138 O=C(NCCNCCO)c1ccccc1 2230a_100000736134_100000211926 [0,0,0,0,0,0|3,0,0]=3 452 B15R1.138 O=C(NCCNCCO)c1ccncc1 2230a_200011198449_100000211926 [0,0,0,0,0,0|4,0,0]=4 453 B15R1.138 O=C(NCCOCCF)c1ccccc1 34a_200000158897_100011217306 [0,0,0,0,0,0|3,0,0]=3 454 B15R1.138 O=C(NCCOCCF)c1ccccc1 7a_200000158897_100011217306 [0,0,0,0,0,0|3,0,0]=3 455 B15R1.138 O=C(NCCOCCO)c1ccccc1 240690a_100000211614_100000185807 [0,0,0,0,0,0|3,0,0]=3 456 B15R1.138 O=C(NCCOCCO)c1ccccc1 34a_200000158897_100000211926 [0,0,0,0,0,0|3,0,0]=3 457 B15R1.138 O=C(NCCOCCO)c1ccccc1 7a_200000158897_100000211926 [0,0,0,0,0,0|3,0,0]=3 458 B15R1.138 O=C(NCCSCCF)c1ccccc1 62a_100011217306_200011215302 [0,0,0,0,0,0|3,0,0]=3 459 B15R1.138 O=C(NCCSCCF)c1ccccc1 62a_200011215302_100011217306 [0,0,0,0,0,0|3,0,0]=3 460 B15R1.138 O=C(NCCSCCO)c1ccccc1 240690a_100011219999_100000185807 [0,0,0,0,0,0|3,0,0]=3 461 B15R1.138 O=C(NCCSCCO)c1ccccc1 527a_100011219999_100000185807 [0,0,0,0,0,0|3,0,0]=3 462 B15R1.138 O=C(NCCSCCO)c1ccccc1 62a_100000211926_200011215302 [0,0,0,0,0,0|3,0,0]=3 463 B15R1.138 O=C(NCCSCCO)c1ccccc1 62a_200011215302_100000211926 [0,0,0,0,0,0|3,0,0]=3 464 B15R1.138 O=C(OCCCSCF)c1ccccc1 62a_100015361967_200009892979 [0,0,0,0,0,0|2,0,0]=2 465 B15R1.138 O=C(OCCCSCF)c1ccccc1 62a_200009892979_100015361967 [0,0,0,0,0,0|2,0,0]=2 466 B15R1.138 O=C(OCCNCCF)c1ccccc1 34a_100000724931_100009812718 [0,0,0,0,0,0|2,0,0]=2 467 B15R1.138 O=C(OCCNCCO)c1ccccc1 34a_100016990907_100009812718 [0,0,0,0,0,0|2,0,0]=2 468 B15R1.138 O=C(OCCOCCBr)c1ccccc1 34a_100000211926_100009812718 [0,0,0,0,0,0|2,0,0]=2 469 B15R1.138 O=C(OCCOCCF)c1ccccc1 7a_100000025465_100011217306 [0,0,0,0,0,0|2,0,0]=2 470 B15R1.138 O=C(OCCOCCO)c1ccccc1 7a_100000025465_100000211926 [0,0,0,0,0,0|2,0,0]=2 471 B15R1.138 O=C(OCCSCCF)c1ccccc1 62a_100009812718_100011217306 [0,0,0,0,0,0|2,0,0]=2 472 B15R1.138 O=C(OCCSCCF)c1ccccc1 62a_100011217306_100009812718 [0,0,0,0,0,0|2,0,0]=2 473 B15R1.138 O=C(OCCSCCO)c1ccccc1 62a_100000211926_100009812718 [0,0,0,0,0,0|2,0,0]=2 474 B15R1.138 O=C(OCCSCCO)c1ccccc1 62a_100009812718_100000211926 [0,0,0,0,0,0|2,0,0]=2 475 B15R1.138 O=C(OCSCCCF)c1ccccc1 62a_100000073877_100011934791 [0,0,0,0,0,0|2,0,0]=2 476 B15R1.138 O=C(OCSCCCF)c1ccccc1 62a_100011934791_100000073877 [0,0,0,0,0,0|2,0,0]=2 477 B15R1.138 O=C(OCSCCCO)c1ccccc1 62a_100000073877_100011215043 [0,0,0,0,0,0|2,0,0]=2 478 B15R1.138 O=C(OCSCCCO)c1ccccc1 62a_100011215043_100000073877 [0,0,0,0,0,0|2,0,0]=2 479 B15R1.138 O=CCCCSCC(=O)c1ccccc1 62a_100000211460_200011292268 [0,0,0,0,0,0|3,0,1]=4 480 B15R1.138 O=CCCCSCC(=O)c1ccccc1 62a_200011292268_100000211460 [0,0,0,0,0,0|3,0,1]=4 481 B15R1.138 O=CCNCCNC(=O)c1ccccc1 2230a_100000736134_200015260668 [0,0,0,0,0,0|3,0,1]=4 482 B15R1.138 O=CCOCCNC(=O)c1ccccc1 34a_200000158897_200009817547 [0,0,0,0,0,0|3,0,1]=4 483 B15R1.138 O=CCOCCNC(=O)c1ccccc1 7a_200000158897_200015260668 [0,0,0,0,0,0|3,0,1]=4 484 B15R1.138 O=CCOCCOC(=O)c1ccccc1 7a_100000025465_200015260668 [0,0,0,0,0,0|2,0,1]=3 485 B15R1.138 O=CCSCCCC(=O)c1ccccc1 62a_100000211006_200015260668 [0,0,0,0,0,0|3,0,1]=4 486 B15R1.138 O=CCSCCCC(=O)c1ccccc1 62a_200015260668_100000211006 [0,0,0,0,0,0|3,0,1]=4 487 B15R1.138 O=CCSCCNC(=O)c1ccccc1 62a_200011215302_200015260668 [0,0,0,0,0,0|3,0,1]=4 488 B15R1.138 O=CCSCCNC(=O)c1ccccc1 62a_200015260668_200011215302 [0,0,0,0,0,0|3,0,1]=4 489 B15R1.138 O=CCSCCOC(=O)c1ccccc1 62a_100009812718_200015260668 [0,0,0,0,0,0|2,0,1]=3 490 B15R1.138 O=CCSCCOC(=O)c1ccccc1 62a_200015260668_100009812718 [0,0,0,0,0,0|2,0,1]=3 491 B15R1.138 O=S(CCNCCCF)c1ccccc1 2230a_100015189416_100000740319 [0,0,0,0,0,0|4,0,0]=4 492 B15R1.138 O=S(CCSCCCF)c1ccccc1 62a_100011934791_100000740319 [0,0,0,0,0,0|4,0,0]=4 493 B15R1.138 O=S(CCSCCCO)c1ccccc1 62a_100011215043_100000740319 [0,0,0,0,0,0|4,0,0]=4 494 B15R1.138 O=S(CSCCCCF)c1ccccc1 62a_100000729493_100000031784 [0,0,0,0,0,0|4,0,0]=4 495 B15R1.138 O=S(CSCCCCO)c1ccccc1 62a_100000210776_100000031784 [0,0,0,0,0,0|4,0,0]=4 496 B15R1.138 [13CH3]SCCCCOC(=O)c1ccccc1 62a_100000039408_200025704644 [0,0,0,0,0,0|1,0,0]=1 497 B15R1.138 [13CH3]SCCCCOC(=O)c1ccccc1 62a_200025704644_100000039408 [0,0,0,0,0,0|1,0,0]=1 498 B15R1.138 [N-]=[N+]=NCCCNC(=O)c1ccccc1 240690a_100000744732_100000185807 [0,0,0,0,0,0|4,0,0]=4 499 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [1,0,0,0,0,0|0,0,2]=3 500 B14R1.38 C#CCCCNC(=O)c1ccccc1 11a_100000718082_100000185807 [1,0,0,0,0,0|1,0,2]=4 501 B14R1.38 C#CCCCNC(=O)c1ccccc1 1626a_100000718082_100000185807 [1,0,0,0,0,0|1,0,2]=4 502 B14R1.38 C#CCCCNC(=O)c1ccccc1 240690a_100000718082_100000185807 [1,0,0,0,0,0|1,0,2]=4 503 B14R1.38 C#CCCCNC(=O)c1ccccc1 527a_100000718082_100000185807 [1,0,0,0,0,0|1,0,2]=4 504 B14R1.38 C#CCCSCC(=O)c1ccccc1 62a_100000211460_100000688953 [1,0,0,0,0,0|1,0,2]=4 505 B14R1.38 C#CCCSCC(=O)c1ccccc1 62a_100000688953_100000211460 [1,0,0,0,0,0|1,0,2]=4 506 B14R1.38 C#CCOCCC(=O)c1ccccc1 1458a_100000185807_100010402529 [1,0,0,0,0,0|1,0,2]=4 507 B14R1.38 C#CCSCCC(=O)c1ccccc1 62a_100000038162_100000750707 [1,0,0,0,0,0|1,0,2]=4 508 B14R1.38 C#CCSCOC(=O)c1ccccc1 62a_100000038162_100000073877 [1,0,0,0,0,0|1,0,2]=4 509 B14R1.38 C/C=C/CSCC(=O)c1ccccc1 62a_100000211460_100102629194 [1,0,0,0,0,0|1,0,2]=4 510 B14R1.38 C/C=C/CSCC(=O)c1ccccc1 62a_100102629194_100000211460 [1,0,0,0,0,0|1,0,2]=4 511 B14R1.38 C=CCCCCC(=O)c1ccccc1 1458a_100000185807_100011215482 [1,0,0,0,0,0|0,0,2]=3 512 B14R1.38 C=CCCCNC(=O)c1ccccc1 11a_100000700776_100000185807 [1,0,0,0,0,0|1,0,2]=4 513 B14R1.38 C=CCCCNC(=O)c1ccccc1 1626a_100000700776_100000185807 [1,0,0,0,0,0|1,0,2]=4 514 B14R1.38 C=CCCCNC(=O)c1ccccc1 240690a_100000700776_100000185807 [1,0,0,0,0,0|1,0,2]=4 515 B14R1.38 C=CCCCNC(=O)c1ccccc1 527a_100000700776_100000185807 [1,0,0,0,0,0|1,0,2]=4 516 B14R1.38 C=CCCSCC(=O)c1ccccc1 62a_100000211460_100000754431 [1,0,0,0,0,0|1,0,2]=4 517 B14R1.38 C=CCCSCC(=O)c1ccccc1 62a_100000754431_100000211460 [1,0,0,0,0,0|1,0,2]=4 518 B14R1.38 C=CCNCCC(=O)c1ccccc1 2230a_100020586998_100000750707 [1,0,0,0,0,0|1,0,2]=4 519 B14R1.38 C=CCSCCC(=O)c1ccccc1 62a_100000210623_100000750707 [1,0,0,0,0,0|1,0,2]=4 520 B14R1.38 C=CCSCCC(=O)c1ccccc1 62a_100000750707_100000210623 [1,0,0,0,0,0|1,0,2]=4 521 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000073877_100000210623 [1,0,0,0,0,0|1,0,2]=4 522 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000210623_100000073877 [1,0,0,0,0,0|1,0,2]=4 523 B14R1.38 CC#CCSCC(=O)c1ccccc1 62a_100000211460_100000748600 [1,0,0,0,0,0|1,0,2]=4 524 B14R1.38 CC#CCSCC(=O)c1ccccc1 62a_100000748600_100000211460 [1,0,0,0,0,0|1,0,2]=4 525 B14R1.38 CC(OCCCCBr)c1ccccc1 34a_100011216708_100000211855 [1,0,0,0,0,0|2,0,1]=4 526 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [1,0,0,0,0,0|2,0,1]=4 527 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [1,0,0,0,0,0|2,0,1]=4 528 B14R1.38 CC(OCCCCF)c1ccccc1 34a_100011995726_100000211855 [1,0,0,0,0,0|2,0,1]=4 529 B14R1.38 CC(OCCCCF)c1ccccc1 7a_100011995726_100000230085 [1,0,0,0,0,0|2,0,1]=4 530 B14R1.38 CC(OCCCCI)c1ccccc1 34a_200012148704_100000211855 [1,0,0,0,0,0|2,0,1]=4 531 B14R1.38 CC(OCCCCN)c1ccccc1 34a_100000750430_100000211855 [1,0,0,0,0,0|2,0,1]=4 532 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 2230a_100000206020_200025704644 [1,0,0,0,0,0|2,0,1]=4 533 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 34a_100000206020_200025704644 [1,0,0,0,0,0|2,0,1]=4 534 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [1,0,0,0,0,0|0,0,2]=3 535 B14R1.38 CC=CCSCC(=O)c1ccccc1 62a_100000070051_100000211460 [1,0,0,0,0,0|1,0,2]=4 536 B14R1.38 CC=CCSCC(=O)c1ccccc1 62a_100000211460_100000070051 [1,0,0,0,0,0|1,0,2]=4 537 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [1,0,0,0,0,0|2,0,1]=4 538 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [1,0,0,0,0,0|0,0,0]=1 539 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_100000210012_100000210314 [1,0,0,0,0,0|2,0,0]=3 540 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_200000219565_200000210301 [1,0,0,0,0,0|2,0,0]=3 541 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_100000210012_100000210757 [1,0,0,0,0,0|2,0,0]=3 542 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_200000219565_200000210301 [1,0,0,0,0,0|2,0,0]=3 543 B14R1.38 CCCCCCN(C)c1ccccc1 34a_100000210012_100000210314 [1,0,0,0,0,0|2,0,0]=3 544 B14R1.38 CCCCCCN(C)c1ccccc1 34a_200000219565_200000210301 [1,0,0,0,0,0|2,0,0]=3 545 B14R1.38 CCCCCCN(C)c1ccccc1 7a_200000219565_200000210301 [1,0,0,0,0,0|2,0,0]=3 546 B14R1.38 CCCCCCN([13CH3])c1ccccc1 2230a_200000219565_200025704644 [1,0,0,0,0,0|2,0,0]=3 547 B14R1.38 CCCCCCN([13CH3])c1ccccc1 269982a_200000219565_200025704644 [1,0,0,0,0,0|2,0,0]=3 548 B14R1.38 CCCCCCN([13CH3])c1ccccc1 34a_200000219565_200025704644 [1,0,0,0,0,0|2,0,0]=3 549 B14R1.38 CCCCCCN([13CH3])c1ccccc1 7a_200000219565_200025704644 [1,0,0,0,0,0|2,0,0]=3 550 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [1,0,0,0,0,0|1,0,0]=2 551 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [1,0,0,0,0,0|1,0,0]=2 552 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [1,0,0,0,0,0|1,0,0]=2 553 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [1,0,0,0,0,0|1,0,0]=2 554 B14R1.38 CCCCCNC(C)c1ccccc1 2230a_100000209983_100000230085 [1,0,0,0,0,0|2,0,1]=4 555 B14R1.38 CCCCCNC(C)c1ccccc1 269862a_100000209983_100000185851 [1,0,0,0,0,0|2,0,1]=4 556 B14R1.38 CCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210326 [1,0,0,0,0,0|2,0,1]=4 557 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [1,0,0,0,0,0|1,0,1]=3 558 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [1,0,0,0,0,0|1,0,1]=3 559 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [1,0,0,0,0,0|1,0,1]=3 560 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [1,0,0,0,0,0|1,0,1]=3 561 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000210326_100000230085 [1,0,0,0,0,0|1,1,1]=4 562 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000230085_100000210326 [1,0,0,0,0,0|1,1,1]=4 563 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [1,0,0,0,0,0|1,0,0]=2 564 B14R1.38 CCCCNCC(=O)c1ccccn1 7a_106832991798_100000027445 [1,0,0,0,0,0|2,0,0]=3 565 B14R1.38 CCCCNCC(=O)c1ccncc1 7a_106832991798_100015248511 [1,0,0,0,0,0|2,0,0]=3 566 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000102301_100000756946 [1,0,0,0,0,0|2,0,1]=4 567 B14R1.38 CCCCNCC(C)c1ccccc1 2230a_100000701038_100000210211 [1,0,0,0,0,0|2,0,1]=4 568 B14R1.38 CCCCNCC(C)c1ccccc1 270004a_100000102301_100000212034 [1,0,0,0,0,0|2,0,1]=4 569 B14R1.38 CCCCNCC(C)c1ccccc1 34a_100000701038_100000210210 [1,0,0,0,0,0|2,0,1]=4 570 B14R1.38 CCCCNCC(C)c1ccccc1 7a_106832991798_100000756946 [1,0,0,0,0,0|2,0,1]=4 571 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000102301_100000185958 [1,0,0,0,0,0|1,0,2]=4 572 B14R1.38 CCCCNCC(O)c1ccccc1 2230a_100000210709_100000210211 [1,0,0,0,0,0|1,0,2]=4 573 B14R1.38 CCCCNCC(O)c1ccccc1 7a_106832991798_100000185958 [1,0,0,0,0,0|1,0,2]=4 574 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 2230a_100000102301_100011933945 [1,0,0,0,0,0|1,0,2]=4 575 B14R1.38 CCCCNC[C@@H](O)c1ccccc1 7a_106832991798_100011933945 [1,0,0,0,0,0|1,0,2]=4 576 B14R1.38 CCCCNN=C(C)c1ccccc1 4a_100025702795_100000185851 [1,0,0,0,0,0|3,0,0]=4 577 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [1,0,0,0,0,0|2,0,0]=3 578 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [1,0,0,0,0,0|1,0,0]=2 579 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [1,0,0,0,0,0|1,0,0]=2 580 B14R1.38 CCCCOCC(=O)c1ccccn1 34a_100000210227_100000027445 [1,0,0,0,0,0|2,0,0]=3 581 B14R1.38 CCCCOCC(=O)c1ccccn1 7a_100000210227_100000027445 [1,0,0,0,0,0|2,0,0]=3 582 B14R1.38 CCCCOCC(=O)c1ccncc1 7a_100000210227_100015248511 [1,0,0,0,0,0|2,0,0]=3 583 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100000210227_100000756946 [1,0,0,0,0,0|2,0,1]=4 584 B14R1.38 CCCCOCC(C)c1ccccc1 34a_100011215166_100000210210 [1,0,0,0,0,0|2,0,1]=4 585 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100000210227_100000756946 [1,0,0,0,0,0|2,0,1]=4 586 B14R1.38 CCCCOCC(C)c1ccccc1 7a_100011215166_100000210211 [1,0,0,0,0,0|2,0,1]=4 587 B14R1.38 CCCCOCC(O)c1ccccc1 34a_100000210227_100000185958 [1,0,0,0,0,0|1,0,2]=4 588 B14R1.38 CCCCOCC(O)c1ccccc1 7a_100000210227_100000185958 [1,0,0,0,0,0|1,0,2]=4 589 B14R1.38 CCCCOCN(C)c1ccccc1 2230a_100000210012_100011995733 [1,0,0,0,0,0|3,0,0]=4 590 B14R1.38 CCCCOCN(C)c1ccccc1 269982a_100000210012_100011995733 [1,0,0,0,0,0|3,0,0]=4 591 B14R1.38 CCCCOCN(C)c1ccccc1 34a_100000210012_100011995733 [1,0,0,0,0,0|3,0,0]=4 592 B14R1.38 CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210210 [1,0,0,0,0,0|2,0,1]=4 593 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 34a_100000210227_100011933945 [1,0,0,0,0,0|1,0,2]=4 594 B14R1.38 CCCCOC[C@@H](O)c1ccccc1 7a_100000210227_100011933945 [1,0,0,0,0,0|1,0,2]=4 595 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [1,0,0,0,0,0|1,0,0]=2 596 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [1,0,0,0,0,0|1,0,0]=2 597 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000027445_100000210210 [1,0,0,0,0,0|2,0,0]=3 598 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000210211_100000027445 [1,0,0,0,0,0|2,0,0]=3 599 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000210211_100000757877 [1,0,0,0,0,0|2,0,0]=3 600 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000757877_100000210210 [1,0,0,0,0,0|2,0,0]=3 601 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000027454_100000210210 [1,0,0,0,0,0|2,0,0]=3 602 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000210211_100000027454 [1,0,0,0,0,0|2,0,0]=3 603 B14R1.38 CCCCSCC(=O)c1ncccn1 62a_100000210211_100020636365 [1,0,0,0,0,0|3,0,0]=4 604 B14R1.38 CCCCSCC(=O)c1ncccn1 62a_100020636365_100000210210 [1,0,0,0,0,0|3,0,0]=4 605 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000210211_100000756946 [1,0,0,0,0,0|2,0,1]=4 606 B14R1.38 CCCCSCC(C)c1ccccc1 62a_100000756946_100000210210 [1,0,0,0,0,0|2,0,1]=4 607 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000185958_100000210210 [1,0,0,0,0,0|1,0,2]=4 608 B14R1.38 CCCCSCC(O)c1ccccc1 62a_100000210211_100000185958 [1,0,0,0,0,0|1,0,2]=4 609 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [1,0,0,0,0,0|2,0,0]=3 610 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100000210211_100011933945 [1,0,0,0,0,0|1,0,2]=4 611 B14R1.38 CCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210210 [1,0,0,0,0,0|1,0,2]=4 612 B14R1.38 CCCNCCC(C)c1ccccc1 270004a_100020643023_100000189432 [1,0,0,0,0,0|2,0,1]=4 613 B14R1.38 CCCNCCC(O)c1ccccc1 2230a_100000763605_100000210303 [1,0,0,0,0,0|1,0,2]=4 614 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [1,0,0,0,0,0|1,0,0]=2 615 B14R1.38 CCCOCCN(C)c1ccccc1 2230a_100000210012_100011215938 [1,0,0,0,0,0|3,0,0]=4 616 B14R1.38 CCCOCCN(C)c1ccccc1 269982a_100000210012_100011215938 [1,0,0,0,0,0|3,0,0]=4 617 B14R1.38 CCCOCCN(C)c1ccccc1 34a_100000210012_100011215938 [1,0,0,0,0,0|3,0,0]=4 618 B14R1.38 CCCOCC[C@@H](O)c1ccccc1 34a_100000210258_100000729684 [1,0,0,0,0,0|1,0,2]=4 619 B14R1.38 CCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210303 [1,0,0,0,0,0|2,0,1]=4 620 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [1,0,0,0,0,0|1,0,0]=2 621 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [1,0,0,0,0,0|1,0,0]=2 622 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [1,0,0,0,0,0|2,0,0]=3 623 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000210303_100000729684 [1,0,0,0,0,0|1,0,2]=4 624 B14R1.38 CCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210303 [1,0,0,0,0,0|1,0,2]=4 625 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [1,0,0,0,0,0|1,0,0]=2 626 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [1,0,0,0,0,0|1,0,0]=2 627 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [1,0,0,0,0,0|1,0,0]=2 628 B14R1.38 CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210202 [1,0,0,0,0,0|2,0,0]=3 629 B14R1.38 CCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210202 [1,0,0,0,0,0|3,0,0]=4 630 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [1,0,0,0,0,0|1,0,0]=2 631 B14R1.38 CCOCCCC(N)c1ccccc1 34a_100000759318_100000210202 [1,0,0,0,0,0|2,0,1]=4 632 B14R1.38 CCOCCCN(C)c1ccccc1 2230a_100000210012_100012232248 [1,0,0,0,0,0|3,0,0]=4 633 B14R1.38 CCOCCCN(C)c1ccccc1 269982a_100000210012_100012232248 [1,0,0,0,0,0|3,0,0]=4 634 B14R1.38 CCOCCCN(C)c1ccccc1 34a_100000210012_100012232248 [1,0,0,0,0,0|3,0,0]=4 635 B14R1.38 CCOCCNC(=O)c1ccccc1 11a_100011200944_100000185807 [1,0,0,0,0,0|2,0,0]=3 636 B14R1.38 CCOCCNC(=O)c1ccccc1 1626a_102516460346_100000185807 [1,0,0,0,0,0|2,0,0]=3 637 B14R1.38 CCOCCNC(=O)c1ccccc1 240690a_100011200944_100000185807 [1,0,0,0,0,0|2,0,0]=3 638 B14R1.38 CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210202 [1,0,0,0,0,0|2,0,0]=3 639 B14R1.38 CCOCCNC(=O)c1ccccc1 527a_100011200944_100000185807 [1,0,0,0,0,0|2,0,0]=3 640 B14R1.38 CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210202 [1,0,0,0,0,0|2,0,0]=3 641 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [1,0,0,0,0,0|1,0,0]=2 642 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [1,0,0,0,0,0|1,0,0]=2 643 B14R1.38 CCOCCOC(C)c1ccccc1 34a_100000210136_100000211855 [1,0,0,0,0,0|2,0,1]=4 644 B14R1.38 CCOCCOC(C)c1ccccc1 7a_100000210136_100000230085 [1,0,0,0,0,0|2,0,1]=4 645 B14R1.38 CCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000210147 [1,0,0,0,0,0|2,0,1]=4 646 B14R1.38 CCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215890 [1,0,0,0,0,0|2,0,1]=4 647 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000211460_100000739092 [1,0,0,0,0,0|2,0,0]=3 648 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000739092_100000211460 [1,0,0,0,0,0|2,0,0]=3 649 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000027445_100000739092 [1,0,0,0,0,0|3,0,0]=4 650 B14R1.38 CCOCSCC(=O)c1ccccn1 62a_100000739092_100000027445 [1,0,0,0,0,0|3,0,0]=4 651 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000739092_100000757877 [1,0,0,0,0,0|3,0,0]=4 652 B14R1.38 CCOCSCC(=O)c1cccnc1 62a_100000757877_100000739092 [1,0,0,0,0,0|3,0,0]=4 653 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000027454_100000739092 [1,0,0,0,0,0|3,0,0]=4 654 B14R1.38 CCOCSCC(=O)c1ccncc1 62a_100000739092_100000027454 [1,0,0,0,0,0|3,0,0]=4 655 B14R1.38 CCOCSCS(=O)c1ccccc1 62a_100000739092_100000031784 [1,0,0,0,0,0|3,0,0]=4 656 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [1,0,0,0,0,0|1,0,0]=2 657 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [1,0,0,0,0,0|1,0,0]=2 658 B14R1.38 CCSCCNC(=O)c1ccccc1 11a_100000106463_100000185807 [1,0,0,0,0,0|2,0,0]=3 659 B14R1.38 CCSCCNC(=O)c1ccccc1 1626a_100000106463_100000185807 [1,0,0,0,0,0|2,0,0]=3 660 B14R1.38 CCSCCNC(=O)c1ccccc1 240690a_100000106463_100000185807 [1,0,0,0,0,0|2,0,0]=3 661 B14R1.38 CCSCCNC(=O)c1ccccc1 527a_100000106463_100000185807 [1,0,0,0,0,0|2,0,0]=3 662 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_100000210202_200011215302 [1,0,0,0,0,0|2,0,0]=3 663 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210202 [1,0,0,0,0,0|2,0,0]=3 664 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [1,0,0,0,0,0|1,0,0]=2 665 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [1,0,0,0,0,0|1,0,0]=2 666 B14R1.38 CCSCCOC(C)c1ccccc1 34a_100000212035_100000211855 [1,0,0,0,0,0|2,0,1]=4 667 B14R1.38 CCSCCOC(C)c1ccccc1 7a_100000212035_100000230085 [1,0,0,0,0,0|2,0,1]=4 668 B14R1.38 CCSCCO[C@H](C)c1ccccc1 34a_100000761318_100000757381 [1,0,0,0,0,0|2,0,1]=4 669 B14R1.38 CCSCCO[C@H](C)c1ccccc1 7a_100000761318_100000757381 [1,0,0,0,0,0|2,0,1]=4 670 B14R1.38 CN(CCCCCF)c1ccccc1 2230a_100000210012_100000729378 [1,0,0,0,0,0|3,0,0]=4 671 B14R1.38 CN(CCCCCF)c1ccccc1 269982a_100000210012_100000729378 [1,0,0,0,0,0|3,0,0]=4 672 B14R1.38 CN(CCCCCF)c1ccccc1 34a_100000210012_100000729378 [1,0,0,0,0,0|3,0,0]=4 673 B14R1.38 CN(CCCCCO)c1ccccc1 2230a_100000210012_100000746330 [1,0,0,0,0,0|3,0,0]=4 674 B14R1.38 CN(CCCCCO)c1ccccc1 269982a_100000210012_100000746330 [1,0,0,0,0,0|3,0,0]=4 675 B14R1.38 CN(CCCCCO)c1ccccc1 34a_100000210012_100000746330 [1,0,0,0,0,0|3,0,0]=4 676 B14R1.38 CN(CCCCO[13CH3])c1ccccc1 7a_100011305536_200025704644 [1,0,0,0,0,0|3,0,0]=4 677 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [1,0,0,0,0,0|1,0,0]=2 678 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [1,0,0,0,0,0|1,0,0]=2 679 B14R1.38 CNCCCOC(C)c1ccccc1 2230a_100000206020_200000210301 [1,0,0,0,0,0|2,0,1]=4 680 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000206020_200000210301 [1,0,0,0,0,0|2,0,1]=4 681 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000213112_100000211855 [1,0,0,0,0,0|2,0,1]=4 682 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [1,0,0,0,0,0|1,0,0]=2 683 B14R1.38 COCCCCN(C)c1ccccc1 2230a_100000210012_100000730899 [1,0,0,0,0,0|3,0,0]=4 684 B14R1.38 COCCCCN(C)c1ccccc1 269982a_100000210012_100000730899 [1,0,0,0,0,0|3,0,0]=4 685 B14R1.38 COCCCCN(C)c1ccccc1 34a_100000210012_100000755781 [1,0,0,0,0,0|3,0,0]=4 686 B14R1.38 COCCCCN(C)c1ccccc1 7a_100011305536_200000210301 [1,0,0,0,0,0|3,0,0]=4 687 B14R1.38 COCCCNC(=O)c1ccccc1 1626a_100150723488_100000185807 [1,0,0,0,0,0|2,0,0]=3 688 B14R1.38 COCCCNC(=O)c1ccccc1 240690a_100150723488_100000185807 [1,0,0,0,0,0|2,0,0]=3 689 B14R1.38 COCCCNC(=O)c1ccccc1 527a_100150723488_100000185807 [1,0,0,0,0,0|2,0,0]=3 690 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [1,0,0,0,0,0|1,0,0]=2 691 B14R1.38 COCCCOC(C)c1ccccc1 34a_100000740835_100000211855 [1,0,0,0,0,0|2,0,1]=4 692 B14R1.38 COCCCO[C@H](C)c1ccccc1 34a_100000761318_100000740836 [1,0,0,0,0,0|2,0,1]=4 693 B14R1.38 COCCCO[C@H](C)c1ccccc1 7a_100000761318_100000740836 [1,0,0,0,0,0|2,0,1]=4 694 B14R1.38 COCCNNC(=O)c1ccccc1 22a_100000741390_100000185807 [1,0,0,0,0,0|3,0,0]=4 695 B14R1.38 COCCOCC(=O)c1ccccn1 34a_100000210237_100000027445 [1,0,0,0,0,0|3,0,0]=4 696 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [1,0,0,0,0,0|2,0,0]=3 697 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [1,0,0,0,0,0|2,0,0]=3 698 B14R1.38 COCCSCC(=O)c1ccccn1 62a_100000027445_100000233755 [1,0,0,0,0,0|3,0,0]=4 699 B14R1.38 COCCSCC(=O)c1ccccn1 62a_100000233755_100000027445 [1,0,0,0,0,0|3,0,0]=4 700 B14R1.38 COCCSCC(=O)c1cccnc1 62a_100000233755_100000757877 [1,0,0,0,0,0|3,0,0]=4 701 B14R1.38 COCCSCC(=O)c1cccnc1 62a_100000757877_100000233755 [1,0,0,0,0,0|3,0,0]=4 702 B14R1.38 COCCSCC(=O)c1ccncc1 62a_100000027454_100000233755 [1,0,0,0,0,0|3,0,0]=4 703 B14R1.38 COCCSCC(=O)c1ccncc1 62a_100000233755_100000027454 [1,0,0,0,0,0|3,0,0]=4 704 B14R1.38 COCCSCS(=O)c1ccccc1 62a_100000233755_100000031784 [1,0,0,0,0,0|3,0,0]=4 705 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [1,0,0,0,0,0|2,0,0]=3 706 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [1,0,0,0,0,0|2,0,0]=3 707 B14R1.38 COCSCCS(=O)c1ccccc1 62a_100000766300_100000740319 [1,0,0,0,0,0|3,0,0]=4 708 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000073877_100000766300 [1,0,0,0,0,0|2,0,0]=3 709 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000766300_100000073877 [1,0,0,0,0,0|2,0,0]=3 710 B14R1.38 CSCCCNC(=O)c1ccccc1 11a_100000749238_100000185807 [1,0,0,0,0,0|2,0,0]=3 711 B14R1.38 CSCCCNC(=O)c1ccccc1 1626a_100000749238_100000185807 [1,0,0,0,0,0|2,0,0]=3 712 B14R1.38 CSCCCNC(=O)c1ccccc1 240690a_100000749238_100000185807 [1,0,0,0,0,0|2,0,0]=3 713 B14R1.38 CSCCCNC(=O)c1ccccc1 527a_100000749238_100000185807 [1,0,0,0,0,0|2,0,0]=3 714 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [1,0,0,0,0,0|1,0,0]=2 715 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [1,0,0,0,0,0|1,0,0]=2 716 B14R1.38 CSCCCOC(C)c1ccccc1 34a_100000690336_100000211855 [1,0,0,0,0,0|2,0,1]=4 717 B14R1.38 CSCCCOC(C)c1ccccc1 7a_100000690336_100000230085 [1,0,0,0,0,0|2,0,1]=4 718 B14R1.38 CSCCOCC(=O)c1ccccc1 7a_100000230434_100000211460 [1,0,0,0,0,0|2,0,0]=3 719 B14R1.38 CSCCOCC(=O)c1ccccn1 34a_100000230434_100000027445 [1,0,0,0,0,0|3,0,0]=4 720 B14R1.38 CSCCOCC(=O)c1ccccn1 7a_100000230434_100000027445 [1,0,0,0,0,0|3,0,0]=4 721 B14R1.38 CSCCOCC(=O)c1ccncc1 7a_100000230434_100015248511 [1,0,0,0,0,0|3,0,0]=4 722 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000211460_100000751147 [1,0,0,0,0,0|2,0,0]=3 723 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000212216_100000211460 [1,0,0,0,0,0|2,0,0]=3 724 B14R1.38 CSCCSCC(=O)c1ccccn1 62a_100000027445_100000751147 [1,0,0,0,0,0|3,0,0]=4 725 B14R1.38 CSCCSCC(=O)c1ccccn1 62a_100000212216_100000027445 [1,0,0,0,0,0|3,0,0]=4 726 B14R1.38 CSCCSCC(=O)c1cccnc1 62a_100000212216_100000757877 [1,0,0,0,0,0|3,0,0]=4 727 B14R1.38 CSCCSCC(=O)c1cccnc1 62a_100000757877_100000751147 [1,0,0,0,0,0|3,0,0]=4 728 B14R1.38 CSCCSCC(=O)c1ccncc1 62a_100000027454_100000751147 [1,0,0,0,0,0|3,0,0]=4 729 B14R1.38 CSCCSCC(=O)c1ccncc1 62a_100000212216_100000027454 [1,0,0,0,0,0|3,0,0]=4 730 B14R1.38 CSCCSCS(=O)c1ccccc1 62a_100000212216_100000031784 [1,0,0,0,0,0|3,0,0]=4 731 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100000750707_100011218213 [1,0,0,0,0,0|2,0,0]=3 732 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100011218213_100000750707 [1,0,0,0,0,0|2,0,0]=3 733 B14R1.38 CSCSCCS(=O)c1ccccc1 62a_100011218213_100000740319 [1,0,0,0,0,0|3,0,0]=4 734 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100000073877_100011218213 [1,0,0,0,0,0|2,0,0]=3 735 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100011218213_100000073877 [1,0,0,0,0,0|2,0,0]=3 736 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 34a_100000761318_100000729493 [1,0,0,0,0,0|2,0,1]=4 737 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 7a_100000761318_100000729493 [1,0,0,0,0,0|2,0,1]=4 738 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 34a_100000761318_100011216708 [1,0,0,0,0,0|2,0,1]=4 739 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 7a_100000761318_100000210776 [1,0,0,0,0,0|2,0,1]=4 740 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [1,0,0,0,0,0|1,0,1]=3 741 B14R1.38 N#CCCSCC(=O)c1ccccc1 62a_100000211460_100011215226 [1,0,0,0,0,0|2,0,1]=4 742 B14R1.38 N#CCCSCC(=O)c1ccccc1 62a_100011215226_100000211460 [1,0,0,0,0,0|2,0,1]=4 743 B14R1.38 N#CCOCCC(=O)c1ccccc1 1458a_100000185807_200000047693 [1,0,0,0,0,0|2,0,1]=4 744 B14R1.38 N#CCSCCC(=O)c1ccccc1 62a_100000750707_100011215382 [1,0,0,0,0,0|2,0,1]=4 745 B14R1.38 N#CCSCCC(=O)c1ccccc1 62a_100011215382_100000750707 [1,0,0,0,0,0|2,0,1]=4 746 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100000073877_100011215382 [1,0,0,0,0,0|2,0,1]=4 747 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100011215382_100000073877 [1,0,0,0,0,0|2,0,1]=4 748 B14R1.38 NCCCOCC(=O)c1ccccn1 34a_100000182051_100000027445 [1,0,0,0,0,0|3,0,0]=4 749 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [1,0,0,0,0,0|1,0,0]=2 750 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [1,0,0,0,0,0|1,0,0]=2 751 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100000211006_100015361967 [1,0,0,0,0,0|2,0,0]=3 752 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100015361967_100000211006 [1,0,0,0,0,0|2,0,0]=3 753 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [1,0,0,0,0,0|2,0,0]=3 754 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [1,0,0,0,0,0|2,0,0]=3 755 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [1,0,0,0,0,0|2,0,0]=3 756 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [1,0,0,0,0,0|2,0,0]=3 757 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [1,0,0,0,0,0|2,0,0]=3 758 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [1,0,0,0,0,0|2,0,0]=3 759 B14R1.38 O=C(CNCCCF)c1ccccn1 34a_100015189416_100000027445 [1,0,0,0,0,0|3,0,0]=4 760 B14R1.38 O=C(COCCCBr)c1ccccn1 34a_100011217188_100000027445 [1,0,0,0,0,0|3,0,0]=4 761 B14R1.38 O=C(COCCCCl)c1ccccn1 34a_100000230001_100000027445 [1,0,0,0,0,0|3,0,0]=4 762 B14R1.38 O=C(COCCCF)c1ccccn1 34a_100000759539_100000027445 [1,0,0,0,0,0|3,0,0]=4 763 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [1,0,0,0,0,0|2,0,0]=3 764 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [1,0,0,0,0,0|2,0,0]=3 765 B14R1.38 O=C(CSCCCF)c1ccccn1 62a_100000027445_100011934791 [1,0,0,0,0,0|3,0,0]=4 766 B14R1.38 O=C(CSCCCF)c1ccccn1 62a_100011934791_100000027445 [1,0,0,0,0,0|3,0,0]=4 767 B14R1.38 O=C(CSCCCF)c1cccnc1 62a_100000757877_100011934791 [1,0,0,0,0,0|3,0,0]=4 768 B14R1.38 O=C(CSCCCF)c1cccnc1 62a_100011934791_100000757877 [1,0,0,0,0,0|3,0,0]=4 769 B14R1.38 O=C(CSCCCF)c1ccncc1 62a_100000027454_100011934791 [1,0,0,0,0,0|3,0,0]=4 770 B14R1.38 O=C(CSCCCF)c1ccncc1 62a_100011934791_100000027454 [1,0,0,0,0,0|3,0,0]=4 771 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [1,0,0,0,0,0|2,0,0]=3 772 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [1,0,0,0,0,0|2,0,0]=3 773 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100000027445_100011215043 [1,0,0,0,0,0|3,0,0]=4 774 B14R1.38 O=C(CSCCCO)c1ccccn1 62a_100011215043_100000027445 [1,0,0,0,0,0|3,0,0]=4 775 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100000757877_100011215043 [1,0,0,0,0,0|3,0,0]=4 776 B14R1.38 O=C(CSCCCO)c1cccnc1 62a_100011215043_100000757877 [1,0,0,0,0,0|3,0,0]=4 777 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100000027454_100011215043 [1,0,0,0,0,0|3,0,0]=4 778 B14R1.38 O=C(CSCCCO)c1ccncc1 62a_100011215043_100000027454 [1,0,0,0,0,0|3,0,0]=4 779 B14R1.38 O=C(NCCCCO)c1ccccc1 240690a_100000750430_100000185807 [1,0,0,0,0,0|2,0,0]=3 780 B14R1.38 O=C(NCCCCO)c1ccccc1 527a_100000750430_100000185807 [1,0,0,0,0,0|2,0,0]=3 781 B14R1.38 O=C(NCCOCF)c1ccccc1 34a_200000158897_100015361967 [1,0,0,0,0,0|3,0,0]=4 782 B14R1.38 O=C(NCCOCF)c1ccccc1 7a_200000158897_100015361967 [1,0,0,0,0,0|3,0,0]=4 783 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_100015361967_200011215302 [1,0,0,0,0,0|3,0,0]=4 784 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_200011215302_100015361967 [1,0,0,0,0,0|3,0,0]=4 785 B14R1.38 O=C(OCCOCF)c1ccccc1 7a_100000025465_100015361967 [1,0,0,0,0,0|2,0,0]=3 786 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100009812718_100015361967 [1,0,0,0,0,0|2,0,0]=3 787 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100015361967_100009812718 [1,0,0,0,0,0|2,0,0]=3 788 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100000073877_100011217306 [1,0,0,0,0,0|2,0,0]=3 789 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100011217306_100000073877 [1,0,0,0,0,0|2,0,0]=3 790 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [1,0,0,0,0,0|2,0,0]=3 791 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [1,0,0,0,0,0|2,0,0]=3 792 B14R1.38 O=CCSCCC(=O)c1ccccc1 62a_100000750707_200015260668 [1,0,0,0,0,0|2,0,1]=4 793 B14R1.38 O=CCSCCC(=O)c1ccccc1 62a_200015260668_100000750707 [1,0,0,0,0,0|2,0,1]=4 794 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_100000073877_200015260668 [1,0,0,0,0,0|2,0,1]=4 795 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_200015260668_100000073877 [1,0,0,0,0,0|2,0,1]=4 796 B14R1.38 O=S(CCNCCO)c1ccccc1 2230a_100016997473_100000740319 [1,0,0,0,0,0|3,0,0]=4 797 B14R1.38 O=S(CCSCCF)c1ccccc1 62a_100011217306_100000740319 [1,0,0,0,0,0|3,0,0]=4 798 B14R1.38 O=S(CCSCCO)c1ccccc1 62a_100000211926_100000740319 [1,0,0,0,0,0|3,0,0]=4 799 B14R1.38 O=S(CSCCCF)c1ccccc1 62a_100011934791_100000031784 [1,0,0,0,0,0|3,0,0]=4 800 B14R1.38 O=S(CSCCCO)c1ccccc1 62a_100011215043_100000031784 [1,0,0,0,0,0|3,0,0]=4 801 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [1,0,0,0,0,0|1,0,0]=2 802 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [1,0,0,0,0,0|1,0,0]=2 803 B14R1.123 BrCCCCCOCc1ccccc1 34a_100000746331_100015291786 [1,0,0,0,0,0|1,0,1]=3 804 B14R1.123 BrCCCCCOCc1ccccc1 7a_100000746331_100000211182 [1,0,0,0,0,0|1,0,1]=3 805 B14R1.123 BrCCCCCOCc1ccccn1 34a_100000746331_100000721315 [1,0,0,0,0,0|2,0,1]=4 806 B14R1.123 BrCCCCCOCc1ccccn1 7a_100000746331_100000721315 [1,0,0,0,0,0|2,0,1]=4 807 B14R1.123 BrCCCCCOCc1cccnc1 34a_100000746331_100000733263 [1,0,0,0,0,0|2,0,1]=4 808 B14R1.123 BrCCCCCOCc1cccnc1 7a_100000746331_100000741622 [1,0,0,0,0,0|2,0,1]=4 809 B14R1.123 BrCCCCCOCc1ccncc1 7a_100000746331_100015193705 [1,0,0,0,0,0|2,0,1]=4 810 B14R1.123 BrCCCOC/C=C/c1ccccc1 34a_100011217188_100016265936 [1,0,0,0,0,0|3,0,0]=4 811 B14R1.123 BrCCCOCOCc1ccccc1 34a_100011217188_100000763385 [1,0,0,0,0,0|2,0,1]=4 812 B14R1.123 BrCCOCCOCc1ccccc1 34a_100000211926_100000234347 [1,0,0,0,0,0|2,0,1]=4 813 B14R1.123 BrCCOCCOCc1ccccc1 34a_100000692535_100015291786 [1,0,0,0,0,0|2,0,1]=4 814 B14R1.123 BrCCOCCOCc1ccccc1 7a_100000692535_100000211182 [1,0,0,0,0,0|2,0,1]=4 815 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000210790_100010269958 [1,0,0,0,0,0|0,0,3]=4 816 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000766709_100015291786 [1,0,0,0,0,0|0,0,3]=4 817 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000210790_100010269958 [1,0,0,0,0,0|0,0,3]=4 818 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000766709_100000211182 [1,0,0,0,0,0|0,0,3]=4 819 B14R1.123 C=CCCCCOCc1ccccc1 34a_100000210790_100011215482 [1,0,0,0,0,0|0,0,3]=4 820 B14R1.123 C=CCCCCOCc1ccccc1 34a_100000766645_100015291786 [1,0,0,0,0,0|0,0,3]=4 821 B14R1.123 C=CCCCCOCc1ccccc1 7a_100000210790_100011215482 [1,0,0,0,0,0|0,0,3]=4 822 B14R1.123 C=CCCCCOCc1ccccc1 7a_100000766645_100000211182 [1,0,0,0,0,0|0,0,3]=4 823 B14R1.123 CC/C=C\CCOCc1ccccc1 34a_100000210790_100015370543 [1,0,0,0,0,0|0,0,3]=4 824 B14R1.123 CC/C=C\CCOCc1ccccc1 34a_100016288707_100015291786 [1,0,0,0,0,0|0,0,3]=4 825 B14R1.123 CC/C=C\CCOCc1ccccc1 7a_100000210790_100015370543 [1,0,0,0,0,0|0,0,3]=4 826 B14R1.123 CC/C=C\CCOCc1ccccc1 7a_100016288707_100000211182 [1,0,0,0,0,0|0,0,3]=4 827 B14R1.123 CC=CCCCOCc1ccccc1 34a_100020645299_100015291786 [1,0,0,0,0,0|0,0,3]=4 828 B14R1.123 CCC#CCCOCc1ccccc1 34a_100000036655_100015291786 [1,0,0,0,0,0|0,0,3]=4 829 B14R1.123 CCC#CCCOCc1ccccc1 7a_100000036655_100000211182 [1,0,0,0,0,0|0,0,3]=4 830 B14R1.123 CCC/C=C/COCc1ccccc1 34a_100016278788_100015291786 [1,0,0,0,0,0|0,0,3]=4 831 B14R1.123 CCC/C=C/COCc1ccccc1 7a_100016278788_100000211182 [1,0,0,0,0,0|0,0,3]=4 832 B14R1.123 CCCC#CCOCc1ccccc1 34a_100000034806_100015291786 [1,0,0,0,0,0|0,0,3]=4 833 B14R1.123 CCCC#CCOCc1ccccc1 7a_100000034806_100000211182 [1,0,0,0,0,0|0,0,3]=4 834 B14R1.123 CCCCCC=NNc1ccccc1 4a_100015195140_100000737632 [1,0,0,0,0,0|2,0,1]=4 835 B14R1.123 CCCCCCC=Cc1ccccc1 271570a_200015348155_100000210277 [1,0,0,0,0,0|1,0,0]=2 836 B14R1.123 CCCCCCC=Cc1ccccn1 271570a_200015348155_100011216584 [1,0,0,0,0,0|2,0,0]=3 837 B14R1.123 CCCCCCC=Cc1cccnc1 271570a_200015348155_100000752921 [1,0,0,0,0,0|2,0,0]=3 838 B14R1.123 CCCCCCC=Cc1cccnn1 271570a_200015348155_100016991348 [1,0,0,0,0,0|3,0,0]=4 839 B14R1.123 CCCCCCC=Cc1ccncc1 271570a_200015348155_100000035832 [1,0,0,0,0,0|2,0,0]=3 840 B14R1.123 CCCCCCC=Cc1ccncn1 271570a_200015348155_100000703185 [1,0,0,0,0,0|3,0,0]=4 841 B14R1.123 CCCCCCC=Cc1ccnnc1 271570a_200015348155_100000732662 [1,0,0,0,0,0|3,0,0]=4 842 B14R1.123 CCCCCCC=Cc1cnccn1 271570a_200015348155_100000758340 [1,0,0,0,0,0|3,0,0]=4 843 B14R1.123 CCCCCCC=Cc1cncnc1 271570a_200015348155_100011206942 [1,0,0,0,0,0|3,0,0]=4 844 B14R1.123 CCCCCCC=Cc1ncccn1 271570a_200015348155_100000211032 [1,0,0,0,0,0|3,0,0]=4 845 B14R1.123 CCCCCCCNc1ccccc1 34a_100000106764_100000210614 [1,0,0,0,0,0|2,0,0]=3 846 B14R1.123 CCCCCCCOc1ccccc1 34a_100000210340_100000210614 [1,0,0,0,0,0|2,0,0]=3 847 B14R1.123 CCCCCCCOc1ccccc1 7a_100000210340_100000210614 [1,0,0,0,0,0|2,0,0]=3 848 B14R1.123 CCCCCCCOc1cccnc1 34a_100000210849_100000210614 [1,0,0,0,0,0|3,0,0]=4 849 B14R1.123 CCCCCCCOc1cccnc1 7a_100000210849_100000210614 [1,0,0,0,0,0|3,0,0]=4 850 B14R1.123 CCCCCCCOc1ccncc1 34a_100000212176_100000210614 [1,0,0,0,0,0|3,0,0]=4 851 B14R1.123 CCCCCCCSc1ccccc1 62a_100000210614_100000041952 [1,0,0,0,0,0|2,0,0]=3 852 B14R1.123 CCCCCCCSc1ccccc1 62a_100000719477_100000210316 [1,0,0,0,0,0|2,0,0]=3 853 B14R1.123 CCCCCCCSc1ccccn1 62a_100000210614_100011216584 [1,0,0,0,0,0|3,0,0]=4 854 B14R1.123 CCCCCCCSc1ccccn1 62a_100011216584_100000210316 [1,0,0,0,0,0|3,0,0]=4 855 B14R1.123 CCCCCCCSc1cccnc1 62a_100000210063_100000210316 [1,0,0,0,0,0|3,0,0]=4 856 B14R1.123 CCCCCCCSc1cccnc1 62a_100000210614_100000210063 [1,0,0,0,0,0|3,0,0]=4 857 B14R1.123 CCCCCCCSc1ccncc1 62a_100000210614_100000728582 [1,0,0,0,0,0|3,0,0]=4 858 B14R1.123 CCCCCCCSc1ccncc1 62a_100000728582_100000210316 [1,0,0,0,0,0|3,0,0]=4 859 B14R1.123 CCCCCCNCc1ccccc1 207a_100000210581_100015611070 [1,0,0,0,0,0|1,0,1]=3 860 B14R1.123 CCCCCCNCc1ccccc1 2230a_100000210581_100015291786 [1,0,0,0,0,0|1,0,1]=3 861 B14R1.123 CCCCCCNCc1ccccc1 2230a_100015324214_100000210314 [1,0,0,0,0,0|1,0,1]=3 862 B14R1.123 CCCCCCNCc1ccccc1 270004a_100000210581_100015611070 [1,0,0,0,0,0|1,0,1]=3 863 B14R1.123 CCCCCCNCc1ccccc1 34a_100015324214_100000210314 [1,0,0,0,0,0|1,0,1]=3 864 B14R1.123 CCCCCCNCc1ccccn1 207a_100000210581_100000209966 [1,0,0,0,0,0|2,0,1]=4 865 B14R1.123 CCCCCCNCc1ccccn1 2230a_100000210581_100000721315 [1,0,0,0,0,0|2,0,1]=4 866 B14R1.123 CCCCCCNCc1ccccn1 270004a_100000210581_100000209966 [1,0,0,0,0,0|2,0,1]=4 867 B14R1.123 CCCCCCNCc1cccnc1 207a_100000210581_100000209961 [1,0,0,0,0,0|2,0,1]=4 868 B14R1.123 CCCCCCNCc1cccnc1 2230a_100000210581_100000741622 [1,0,0,0,0,0|2,0,1]=4 869 B14R1.123 CCCCCCNCc1cccnc1 270004a_100000210581_100000209961 [1,0,0,0,0,0|2,0,1]=4 870 B14R1.123 CCCCCCNCc1ccncc1 207a_100000210581_100000186114 [1,0,0,0,0,0|2,0,1]=4 871 B14R1.123 CCCCCCNCc1ccncc1 2230a_100000210581_100015193705 [1,0,0,0,0,0|2,0,1]=4 872 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210259_100015291786 [1,0,0,0,0,0|0,0,1]=2 873 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210790_100000210314 [1,0,0,0,0,0|0,0,1]=2 874 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210259_100000211182 [1,0,0,0,0,0|0,0,1]=2 875 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210790_100000210314 [1,0,0,0,0,0|0,0,1]=2 876 B14R1.123 CCCCCCOCc1ccccn1 34a_100000210259_100000721315 [1,0,0,0,0,0|1,0,1]=3 877 B14R1.123 CCCCCCOCc1ccccn1 7a_100000210259_100000721315 [1,0,0,0,0,0|1,0,1]=3 878 B14R1.123 CCCCCCOCc1cccnc1 34a_100000210259_100000733263 [1,0,0,0,0,0|1,0,1]=3 879 B14R1.123 CCCCCCOCc1cccnc1 7a_100000210259_100000741622 [1,0,0,0,0,0|1,0,1]=3 880 B14R1.123 CCCCCCOCc1cccnn1 34a_100000210259_100016990269 [1,0,0,0,0,0|2,0,1]=4 881 B14R1.123 CCCCCCOCc1cccnn1 7a_100000210259_100016990269 [1,0,0,0,0,0|2,0,1]=4 882 B14R1.123 CCCCCCOCc1ccncc1 7a_100000210259_100015193705 [1,0,0,0,0,0|1,0,1]=3 883 B14R1.123 CCCCCCOCc1cnccn1 34a_100000210259_100016995436 [1,0,0,0,0,0|2,0,1]=4 884 B14R1.123 CCCCCCOCc1cnccn1 7a_100000210259_100016995436 [1,0,0,0,0,0|2,0,1]=4 885 B14R1.123 CCCCCCOCc1cncnc1 34a_100000210259_100015196519 [1,0,0,0,0,0|2,0,1]=4 886 B14R1.123 CCCCCCOCc1cncnc1 7a_100000210259_100015196519 [1,0,0,0,0,0|2,0,1]=4 887 B14R1.123 CCCCCCOCc1ncccn1 34a_100000210259_100000703007 [1,0,0,0,0,0|2,0,1]=4 888 B14R1.123 CCCCCCOCc1ncccn1 7a_100000210259_100000703007 [1,0,0,0,0,0|2,0,1]=4 889 B14R1.123 CCCCCCSCc1ccccc1 62a_100000210314_100015291786 [1,0,0,0,0,0|0,1,1]=3 890 B14R1.123 CCCCCCSCc1ccccc1 62a_100000211182_100000210757 [1,0,0,0,0,0|0,1,1]=3 891 B14R1.123 CCCCCCSCc1ccccn1 62a_100000210314_100000721315 [1,0,0,0,0,0|1,1,1]=4 892 B14R1.123 CCCCCCSCc1ccccn1 62a_100000721315_100000210757 [1,0,0,0,0,0|1,1,1]=4 893 B14R1.123 CCCCCCSCc1cccnc1 62a_100000210314_100000741622 [1,0,0,0,0,0|1,1,1]=4 894 B14R1.123 CCCCCCSCc1cccnc1 62a_100000741622_100000210757 [1,0,0,0,0,0|1,1,1]=4 895 B14R1.123 CCCCCCSCc1ccncc1 62a_100000210314_100015193705 [1,0,0,0,0,0|1,1,1]=4 896 B14R1.123 CCCCCCSCc1ccncc1 62a_100015193705_100000210757 [1,0,0,0,0,0|1,1,1]=4 897 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000106460_100000210326 [1,0,0,0,0,0|2,0,1]=4 898 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000209983_100000765856 [1,0,0,0,0,0|2,0,1]=4 899 B14R1.123 CCCCCNCCc1ccccc1 34a_100000106460_100000718602 [1,0,0,0,0,0|2,0,1]=4 900 B14R1.123 CCCCCNCSc1ccccc1 2230a_100000209983_100011218342 [1,0,0,0,0,0|3,0,0]=4 901 B14R1.123 CCCCCNN=Cc1ccccc1 4a_100000694160_100015611070 [1,0,0,0,0,0|2,0,0]=3 902 B14R1.123 CCCCCNN=Cc1ccccn1 4a_100000694160_100000209966 [1,0,0,0,0,0|3,0,0]=4 903 B14R1.123 CCCCCNN=Cc1cccnc1 4a_100000694160_100000209961 [1,0,0,0,0,0|3,0,0]=4 904 B14R1.123 CCCCCNN=Cc1ccncc1 4a_100000694160_100000186114 [1,0,0,0,0,0|3,0,0]=4 905 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210253_100000765856 [1,0,0,0,0,0|2,0,1]=4 906 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210268_100000718602 [1,0,0,0,0,0|2,0,1]=4 907 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210253_100000765856 [1,0,0,0,0,0|2,0,1]=4 908 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210268_100000210326 [1,0,0,0,0,0|2,0,1]=4 909 B14R1.123 CCCCCSCCc1ccccc1 62a_100000210326_100011218657 [1,0,0,0,0,0|2,0,1]=4 910 B14R1.123 CCCCCSCCc1ccccc1 62a_100000765856_100000210326 [1,0,0,0,0,0|2,0,1]=4 911 B14R1.123 CCCCCSCSc1ccccc1 62a_100000210326_100011218342 [1,0,0,0,0,0|3,0,0]=4 912 B14R1.123 CCCCCSCSc1ccccc1 62a_100011218342_100000210326 [1,0,0,0,0,0|3,0,0]=4 913 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100000102301_100016265936 [1,0,0,0,0,0|2,0,0]=3 914 B14R1.123 CCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210211 [1,0,0,0,0,0|2,0,0]=3 915 B14R1.123 CCCCNC/C=C/c1ccccc1 34a_100020603302_100000210210 [1,0,0,0,0,0|2,0,0]=3 916 B14R1.123 CCCCNC/C=C/c1ccccc1 7a_106832991798_100016265936 [1,0,0,0,0,0|2,0,0]=3 917 B14R1.123 CCCCNCC#Cc1ccccc1 2230a_100000102301_100011352542 [1,0,0,0,0,0|2,0,1]=4 918 B14R1.123 CCCCNCC#Cc1ccccc1 34a_100000735379_100000210210 [1,0,0,0,0,0|2,0,1]=4 919 B14R1.123 CCCCNCC#Cc1ccccc1 7a_106832991798_100011352542 [1,0,0,0,0,0|2,0,1]=4 920 B14R1.123 CCCCNCC=Cc1ccccc1 270004a_100000102301_100000210105 [1,0,0,0,0,0|2,0,0]=3 921 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [1,0,0,0,0,0|2,0,1]=4 922 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [1,0,0,0,0,0|2,0,1]=4 923 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [1,0,0,0,0,0|2,0,1]=4 924 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [1,0,0,0,0,0|2,0,1]=4 925 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000102301_100000184471 [1,0,0,0,0,0|3,0,0]=4 926 B14R1.123 CCCCNCCOc1ccccc1 2230a_100000174943_100000210211 [1,0,0,0,0,0|3,0,0]=4 927 B14R1.123 CCCCNCCOc1ccccc1 270004a_100000102301_100000758736 [1,0,0,0,0,0|3,0,0]=4 928 B14R1.123 CCCCNCCOc1ccccc1 34a_100000174943_100000210210 [1,0,0,0,0,0|3,0,0]=4 929 B14R1.123 CCCCNCCOc1ccccc1 7a_106832991798_100000184471 [1,0,0,0,0,0|3,0,0]=4 930 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000102301_100000246102 [1,0,0,0,0,0|3,0,0]=4 931 B14R1.123 CCCCNCCSc1ccccc1 2230a_100000189519_100000210211 [1,0,0,0,0,0|3,0,0]=4 932 B14R1.123 CCCCNCCSc1ccccc1 7a_106832991798_100000246102 [1,0,0,0,0,0|3,0,0]=4 933 B14R1.123 CCCCNCOCc1ccccc1 2230a_100000102301_100000763385 [1,0,0,0,0,0|1,0,1]=3 934 B14R1.123 CCCCNCSCc1ccccc1 2230a_100000102301_200011217039 [1,0,0,0,0,0|1,1,1]=4 935 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210227_100016265936 [1,0,0,0,0,0|2,0,0]=3 936 B14R1.123 CCCCOC/C=C/c1ccccc1 34a_100000210256_100000210210 [1,0,0,0,0,0|2,0,0]=3 937 B14R1.123 CCCCOC/C=C/c1ccccc1 7a_100000210227_100016265936 [1,0,0,0,0,0|2,0,0]=3 938 B14R1.123 CCCCOC/C=C/c1cccnc1 34a_200102594124_100000210210 [1,0,0,0,0,0|3,0,0]=4 939 B14R1.123 CCCCOCC#Cc1ccccc1 34a_100000210227_100011352542 [1,0,0,0,0,0|2,0,1]=4 940 B14R1.123 CCCCOCC#Cc1ccccc1 34a_100011217464_100000210210 [1,0,0,0,0,0|2,0,1]=4 941 B14R1.123 CCCCOCC#Cc1ccccc1 7a_100000210227_100011352542 [1,0,0,0,0,0|2,0,1]=4 942 B14R1.123 CCCCOCC#Cc1ccccc1 7a_100011217464_100000210211 [1,0,0,0,0,0|2,0,1]=4 943 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [1,0,0,0,0,0|2,0,1]=4 944 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [1,0,0,0,0,0|2,0,1]=4 945 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [1,0,0,0,0,0|2,0,1]=4 946 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [1,0,0,0,0,0|2,0,1]=4 947 B14R1.123 CCCCOCCNc1ccccc1 34a_100000106764_100000743108 [1,0,0,0,0,0|3,0,0]=4 948 B14R1.123 CCCCOCCNc1ccccc1 34a_100000211345_100000210210 [1,0,0,0,0,0|3,0,0]=4 949 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210227_100000184471 [1,0,0,0,0,0|3,0,0]=4 950 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210260_100000210210 [1,0,0,0,0,0|3,0,0]=4 951 B14R1.123 CCCCOCCOc1ccccc1 34a_100000210340_100000743108 [1,0,0,0,0,0|3,0,0]=4 952 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210227_100000184471 [1,0,0,0,0,0|3,0,0]=4 953 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210260_100000210211 [1,0,0,0,0,0|3,0,0]=4 954 B14R1.123 CCCCOCCOc1ccccc1 7a_100000210340_100000743108 [1,0,0,0,0,0|3,0,0]=4 955 B14R1.123 CCCCOCCSc1ccccc1 34a_100000210227_100000246102 [1,0,0,0,0,0|3,0,0]=4 956 B14R1.123 CCCCOCCSc1ccccc1 62a_100000719477_100000743108 [1,0,0,0,0,0|3,0,0]=4 957 B14R1.123 CCCCOCCSc1ccccc1 62a_100000743108_100000041952 [1,0,0,0,0,0|3,0,0]=4 958 B14R1.123 CCCCOCCSc1ccccc1 7a_100000210227_100000246102 [1,0,0,0,0,0|3,0,0]=4 959 B14R1.123 CCCCOCCSc1ccccc1 7a_100000230494_100000210211 [1,0,0,0,0,0|3,0,0]=4 960 B14R1.123 CCCCOCNCc1ccccc1 2230a_100015324214_100011995733 [1,0,0,0,0,0|2,0,1]=4 961 B14R1.123 CCCCOCNCc1ccccc1 34a_100015324214_100011995733 [1,0,0,0,0,0|2,0,1]=4 962 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210227_100000763385 [1,0,0,0,0,0|1,0,1]=3 963 B14R1.123 CCCCOCOCc1ccccc1 34a_100000210790_100011995733 [1,0,0,0,0,0|1,0,1]=3 964 B14R1.123 CCCCOCSCc1ccccc1 34a_100000210227_200011217039 [1,0,0,0,0,0|1,1,1]=4 965 B14R1.123 CCCCOCSCc1ccccc1 62a_100000211182_100011995733 [1,0,0,0,0,0|1,1,1]=4 966 B14R1.123 CCCCOCSCc1ccccc1 62a_100011995733_100015291786 [1,0,0,0,0,0|1,1,1]=4 967 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100000210211_100016265936 [1,0,0,0,0,0|2,0,0]=3 968 B14R1.123 CCCCSC/C=C/c1ccccc1 62a_100016265936_100000210210 [1,0,0,0,0,0|2,0,0]=3 969 B14R1.123 CCCCSCC#Cc1ccccc1 62a_100000210211_100011352542 [1,0,0,0,0,0|2,0,1]=4 970 B14R1.123 CCCCSCCCc1ccccc1 62a_100000210211_100000211621 [1,0,0,0,0,0|2,0,1]=4 971 B14R1.123 CCCCSCCCc1ccccc1 62a_100000211621_100000210210 [1,0,0,0,0,0|2,0,1]=4 972 B14R1.123 CCCCSCCOc1ccccc1 62a_100000184471_100000210210 [1,0,0,0,0,0|3,0,0]=4 973 B14R1.123 CCCCSCCOc1ccccc1 62a_100000210211_100000184471 [1,0,0,0,0,0|3,0,0]=4 974 B14R1.123 CCCCSCCSc1ccccc1 62a_100000210211_100000246102 [1,0,0,0,0,0|3,0,0]=4 975 B14R1.123 CCCCSCCSc1ccccc1 62a_100000246102_100000210210 [1,0,0,0,0,0|3,0,0]=4 976 B14R1.123 CCCCSCOCc1ccccc1 62a_100000210211_100000763385 [1,0,0,0,0,0|1,0,1]=3 977 B14R1.123 CCCCSCOCc1ccccc1 62a_100000763385_100000210210 [1,0,0,0,0,0|1,0,1]=3 978 B14R1.123 CCCCSCSCc1ccccc1 62a_100000210211_200011217039 [1,0,0,0,0,0|1,1,1]=4 979 B14R1.123 CCCCSCSCc1ccccc1 62a_200011217039_100000210210 [1,0,0,0,0,0|1,1,1]=4 980 B14R1.123 CCCNCCCCc1ccccc1 2230a_100015280158_100000210303 [1,0,0,0,0,0|2,0,1]=4 981 B14R1.123 CCCNCCCCc1ccccc1 34a_100015280158_100000210303 [1,0,0,0,0,0|2,0,1]=4 982 B14R1.123 CCCNCCCOc1ccccc1 2230a_100000216521_100000210303 [1,0,0,0,0,0|3,0,0]=4 983 B14R1.123 CCCNCCCOc1ccccc1 34a_100000216521_100000210303 [1,0,0,0,0,0|3,0,0]=4 984 B14R1.123 CCCNCCCSc1ccccc1 2230a_100000184639_100000210303 [1,0,0,0,0,0|3,0,0]=4 985 B14R1.123 CCCNCCOCc1ccccc1 2230a_100000753106_100000210303 [1,0,0,0,0,0|1,0,1]=3 986 B14R1.123 CCCNCCOCc1ccccc1 34a_100000753106_100000210303 [1,0,0,0,0,0|1,0,1]=3 987 B14R1.123 CCCNCCSCc1ccccc1 2230a_100000189534_100000210303 [1,0,0,0,0,0|1,1,1]=4 988 B14R1.123 CCCNCCSCc1ccccc1 34a_100000189534_100000210303 [1,0,0,0,0,0|1,1,1]=4 989 B14R1.123 CCCNCCSCc1ccccc1 7a_100000189534_100000210303 [1,0,0,0,0,0|1,1,1]=4 990 B14R1.123 CCCOCCC#Cc1ccccc1 34a_100000760064_100000210303 [1,0,0,0,0,0|2,0,1]=4 991 B14R1.123 CCCOCCC#Cc1ccccc1 7a_100000760064_100000210303 [1,0,0,0,0,0|2,0,1]=4 992 B14R1.123 CCCOCCCCc1ccccc1 34a_100000210258_100000701786 [1,0,0,0,0,0|2,0,1]=4 993 B14R1.123 CCCOCCCCc1ccccc1 34a_100000703073_100000210303 [1,0,0,0,0,0|2,0,1]=4 994 B14R1.123 CCCOCCCCc1ccccc1 7a_100000703073_100000210303 [1,0,0,0,0,0|2,0,1]=4 995 B14R1.123 CCCOCCCNc1ccccc1 34a_100000212590_100000210303 [1,0,0,0,0,0|3,0,0]=4 996 B14R1.123 CCCOCCCOc1ccccc1 34a_100000210258_100000199009 [1,0,0,0,0,0|3,0,0]=4 997 B14R1.123 CCCOCCCOc1ccccc1 34a_100011215863_100000210303 [1,0,0,0,0,0|3,0,0]=4 998 B14R1.123 CCCOCCCOc1ccccc1 7a_100011215863_100000210303 [1,0,0,0,0,0|3,0,0]=4 999 B14R1.123 CCCOCCCSc1ccccc1 34a_100000210258_200011203293 [1,0,0,0,0,0|3,0,0]=4 1000 B14R1.123 CCCOCCNCc1ccccc1 207a_100161115042_100015611070 [1,0,0,0,0,0|2,0,1]=4 1001 B14R1.123 CCCOCCNCc1ccccc1 2230a_100015324214_100011215938 [1,0,0,0,0,0|2,0,1]=4 1002 B14R1.123 CCCOCCNCc1ccccc1 2230a_100161115042_100015291786 [1,0,0,0,0,0|2,0,1]=4 1003 B14R1.123 CCCOCCNCc1ccccc1 270004a_100161115042_100015611070 [1,0,0,0,0,0|2,0,1]=4 1004 B14R1.123 CCCOCCNCc1ccccc1 34a_100000180844_100000210303 [1,0,0,0,0,0|2,0,1]=4 1005 B14R1.123 CCCOCCNCc1ccccc1 34a_100015324214_100011215938 [1,0,0,0,0,0|2,0,1]=4 1006 B14R1.123 CCCOCCNCc1ccccc1 34a_100161115042_100015291786 [1,0,0,0,0,0|2,0,1]=4 1007 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210258_100000234347 [1,0,0,0,0,0|1,0,1]=3 1008 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210790_100011215938 [1,0,0,0,0,0|1,0,1]=3 1009 B14R1.123 CCCOCCOCc1ccccc1 34a_100000752267_100015291786 [1,0,0,0,0,0|1,0,1]=3 1010 B14R1.123 CCCOCCOCc1ccccc1 34a_100000759325_100000210303 [1,0,0,0,0,0|1,0,1]=3 1011 B14R1.123 CCCOCCOCc1ccccc1 7a_100000210790_100011215938 [1,0,0,0,0,0|1,0,1]=3 1012 B14R1.123 CCCOCCOCc1ccccc1 7a_100000752267_100000211182 [1,0,0,0,0,0|1,0,1]=3 1013 B14R1.123 CCCOCCOCc1ccccc1 7a_100000759325_100000210303 [1,0,0,0,0,0|1,0,1]=3 1014 B14R1.123 CCCOCCOCc1ccccn1 34a_100000752267_100000721315 [1,0,0,0,0,0|2,0,1]=4 1015 B14R1.123 CCCOCCOCc1ccccn1 7a_100000752267_100000721315 [1,0,0,0,0,0|2,0,1]=4 1016 B14R1.123 CCCOCCOCc1cccnc1 34a_100000752267_100000733263 [1,0,0,0,0,0|2,0,1]=4 1017 B14R1.123 CCCOCCOCc1cccnc1 7a_100000752267_100000741622 [1,0,0,0,0,0|2,0,1]=4 1018 B14R1.123 CCCOCCOCc1ccncc1 7a_100000752267_100015193705 [1,0,0,0,0,0|2,0,1]=4 1019 B14R1.123 CCCOCCSCc1ccccc1 34a_100000210258_200011297719 [1,0,0,0,0,0|1,1,1]=4 1020 B14R1.123 CCCOCCSCc1ccccc1 34a_100011205989_100000210303 [1,0,0,0,0,0|1,1,1]=4 1021 B14R1.123 CCCOCCSCc1ccccc1 62a_100000211182_100011215938 [1,0,0,0,0,0|1,1,1]=4 1022 B14R1.123 CCCOCCSCc1ccccc1 62a_100011215938_100015291786 [1,0,0,0,0,0|1,1,1]=4 1023 B14R1.123 CCCOCCSCc1ccccc1 7a_100011205989_100000210303 [1,0,0,0,0,0|1,1,1]=4 1024 B14R1.123 CCCSCCCCc1ccccc1 62a_100000210303_100000701786 [1,0,0,0,0,0|2,0,1]=4 1025 B14R1.123 CCCSCCCCc1ccccc1 62a_100000701786_100000210303 [1,0,0,0,0,0|2,0,1]=4 1026 B14R1.123 CCCSCCCOc1ccccc1 62a_100000199009_100000210303 [1,0,0,0,0,0|3,0,0]=4 1027 B14R1.123 CCCSCCCOc1ccccc1 62a_100000210303_100000199009 [1,0,0,0,0,0|3,0,0]=4 1028 B14R1.123 CCCSCCCSc1ccccc1 62a_100000210303_200011203293 [1,0,0,0,0,0|3,0,0]=4 1029 B14R1.123 CCCSCCCSc1ccccc1 62a_200011203293_100000210303 [1,0,0,0,0,0|3,0,0]=4 1030 B14R1.123 CCCSCCNCc1ccccc1 207a_100020603323_100015611070 [1,0,0,0,0,0|2,0,1]=4 1031 B14R1.123 CCCSCCNCc1ccccc1 2230a_100020603323_100015291786 [1,0,0,0,0,0|2,0,1]=4 1032 B14R1.123 CCCSCCNCc1ccccc1 270004a_100020603323_100015611070 [1,0,0,0,0,0|2,0,1]=4 1033 B14R1.123 CCCSCCOCc1ccccc1 34a_200000230433_100015291786 [1,0,0,0,0,0|1,0,1]=3 1034 B14R1.123 CCCSCCOCc1ccccc1 62a_100000210303_100000234347 [1,0,0,0,0,0|1,0,1]=3 1035 B14R1.123 CCCSCCOCc1ccccc1 62a_100000234347_100000210303 [1,0,0,0,0,0|1,0,1]=3 1036 B14R1.123 CCCSCCOCc1ccccc1 7a_200000230433_100000211182 [1,0,0,0,0,0|1,0,1]=3 1037 B14R1.123 CCCSCCOCc1ccccn1 34a_200000230433_100000721315 [1,0,0,0,0,0|2,0,1]=4 1038 B14R1.123 CCCSCCOCc1ccccn1 7a_200000230433_100000721315 [1,0,0,0,0,0|2,0,1]=4 1039 B14R1.123 CCCSCCOCc1cccnc1 34a_200000230433_100000733263 [1,0,0,0,0,0|2,0,1]=4 1040 B14R1.123 CCCSCCOCc1cccnc1 7a_200000230433_100000741622 [1,0,0,0,0,0|2,0,1]=4 1041 B14R1.123 CCCSCCOCc1ccncc1 7a_200000230433_100015193705 [1,0,0,0,0,0|2,0,1]=4 1042 B14R1.123 CCCSCCSCc1ccccc1 62a_100000210303_200011297719 [1,0,0,0,0,0|1,1,1]=4 1043 B14R1.123 CCCSCCSCc1ccccc1 62a_200011297719_100000210303 [1,0,0,0,0,0|1,1,1]=4 1044 B14R1.123 CCNCCCCCc1ccccc1 2230a_100000750932_100000210202 [1,0,0,0,0,0|2,0,1]=4 1045 B14R1.123 CCNCCCCCc1ccccc1 2230a_100015525214_200011217138 [1,0,0,0,0,0|2,0,1]=4 1046 B14R1.123 CCNCCCCCc1ccccc1 34a_100000750932_100000210202 [1,0,0,0,0,0|2,0,1]=4 1047 B14R1.123 CCNCCCCOc1ccccc1 2230a_100015525214_100011215240 [1,0,0,0,0,0|3,0,0]=4 1048 B14R1.123 CCNCCCOCc1ccccc1 2230a_100015525214_100011215529 [1,0,0,0,0,0|1,0,1]=3 1049 B14R1.123 CCNCCCOCc1ccccc1 2230a_200000206031_100000210202 [1,0,0,0,0,0|1,0,1]=3 1050 B14R1.123 CCNCCCOCc1ccccc1 34a_200000206031_100000210202 [1,0,0,0,0,0|1,0,1]=3 1051 B14R1.123 CCOCCCC#Cc1ccccc1 34a_100011217234_100000210202 [1,0,0,0,0,0|2,0,1]=4 1052 B14R1.123 CCOCCCC#Cc1ccccc1 7a_100011217234_100000210202 [1,0,0,0,0,0|2,0,1]=4 1053 B14R1.123 CCOCCCCCc1ccccc1 34a_100121572206_200011217138 [1,0,0,0,0,0|2,0,1]=4 1054 B14R1.123 CCOCCCCCc1ccccc1 34a_200011219639_100000210202 [1,0,0,0,0,0|2,0,1]=4 1055 B14R1.123 CCOCCCCCc1ccccc1 7a_200011219639_100000210202 [1,0,0,0,0,0|2,0,1]=4 1056 B14R1.123 CCOCCCCOc1ccccc1 34a_100000752354_100000210202 [1,0,0,0,0,0|3,0,0]=4 1057 B14R1.123 CCOCCCCOc1ccccc1 34a_100121572206_100011215240 [1,0,0,0,0,0|3,0,0]=4 1058 B14R1.123 CCOCCCCOc1ccccc1 7a_100000752354_100000210202 [1,0,0,0,0,0|3,0,0]=4 1059 B14R1.123 CCOCCCNCc1ccccc1 207a_100000210961_100015611070 [1,0,0,0,0,0|2,0,1]=4 1060 B14R1.123 CCOCCCNCc1ccccc1 2230a_100000210961_100015291786 [1,0,0,0,0,0|2,0,1]=4 1061 B14R1.123 CCOCCCNCc1ccccc1 2230a_100015324214_100012232248 [1,0,0,0,0,0|2,0,1]=4 1062 B14R1.123 CCOCCCNCc1ccccc1 270004a_100000210961_100015611070 [1,0,0,0,0,0|2,0,1]=4 1063 B14R1.123 CCOCCCNCc1ccccc1 34a_100000185501_100000210202 [1,0,0,0,0,0|2,0,1]=4 1064 B14R1.123 CCOCCCNCc1ccccc1 34a_100000210961_100015291786 [1,0,0,0,0,0|2,0,1]=4 1065 B14R1.123 CCOCCCNCc1ccccc1 34a_100015324214_100012232248 [1,0,0,0,0,0|2,0,1]=4 1066 B14R1.123 CCOCCCOCc1ccccc1 34a_100000210790_100012232248 [1,0,0,0,0,0|1,0,1]=3 1067 B14R1.123 CCOCCCOCc1ccccc1 34a_100000691849_100000210202 [1,0,0,0,0,0|1,0,1]=3 1068 B14R1.123 CCOCCCOCc1ccccc1 34a_100000757476_100015291786 [1,0,0,0,0,0|1,0,1]=3 1069 B14R1.123 CCOCCCOCc1ccccc1 34a_100121572206_100011215529 [1,0,0,0,0,0|1,0,1]=3 1070 B14R1.123 CCOCCCOCc1ccccc1 7a_100000210790_100012232248 [1,0,0,0,0,0|1,0,1]=3 1071 B14R1.123 CCOCCCOCc1ccccc1 7a_100000691849_100000210202 [1,0,0,0,0,0|1,0,1]=3 1072 B14R1.123 CCOCCCOCc1ccccc1 7a_100000757476_100000211182 [1,0,0,0,0,0|1,0,1]=3 1073 B14R1.123 CCOCCCOCc1ccccn1 34a_100000757476_100000721315 [1,0,0,0,0,0|2,0,1]=4 1074 B14R1.123 CCOCCCOCc1ccccn1 7a_100000757476_100000721315 [1,0,0,0,0,0|2,0,1]=4 1075 B14R1.123 CCOCCCOCc1cccnc1 34a_100000757476_100000733263 [1,0,0,0,0,0|2,0,1]=4 1076 B14R1.123 CCOCCCOCc1cccnc1 7a_100000757476_100000741622 [1,0,0,0,0,0|2,0,1]=4 1077 B14R1.123 CCOCCCOCc1ccncc1 7a_100000757476_100015193705 [1,0,0,0,0,0|2,0,1]=4 1078 B14R1.123 CCOCCCSCc1ccccc1 62a_100000211182_100012232248 [1,0,0,0,0,0|1,1,1]=4 1079 B14R1.123 CCOCCCSCc1ccccc1 62a_100012232248_100015291786 [1,0,0,0,0,0|1,1,1]=4 1080 B14R1.123 CCOCCNN=Cc1ccccc1 4a_100000732670_100015611070 [1,0,0,0,0,0|3,0,0]=4 1081 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100000739092_100016265936 [1,0,0,0,0,0|3,0,0]=4 1082 B14R1.123 CCOCSC/C=C/c1ccccc1 62a_100016265936_100000739092 [1,0,0,0,0,0|3,0,0]=4 1083 B14R1.123 CCOCSCOCc1ccccc1 62a_100000739092_100000763385 [1,0,0,0,0,0|2,0,1]=4 1084 B14R1.123 CCOCSCOCc1ccccc1 62a_100000763385_100000739092 [1,0,0,0,0,0|2,0,1]=4 1085 B14R1.123 CCSCCCCCc1ccccc1 62a_100000210202_200011217138 [1,0,0,0,0,0|2,0,1]=4 1086 B14R1.123 CCSCCCCCc1ccccc1 62a_200011217138_100000210202 [1,0,0,0,0,0|2,0,1]=4 1087 B14R1.123 CCSCCCCOc1ccccc1 62a_100000210202_100011215240 [1,0,0,0,0,0|3,0,0]=4 1088 B14R1.123 CCSCCCCOc1ccccc1 62a_100011215240_100000210202 [1,0,0,0,0,0|3,0,0]=4 1089 B14R1.123 CCSCCCOCc1ccccc1 34a_100011216438_100015291786 [1,0,0,0,0,0|1,0,1]=3 1090 B14R1.123 CCSCCCOCc1ccccc1 62a_100000210202_100011215529 [1,0,0,0,0,0|1,0,1]=3 1091 B14R1.123 CCSCCCOCc1ccccc1 62a_100011215529_100000210202 [1,0,0,0,0,0|1,0,1]=3 1092 B14R1.123 CCSCCCOCc1ccccc1 7a_100011216438_100000211182 [1,0,0,0,0,0|1,0,1]=3 1093 B14R1.123 CCSCCCOCc1ccccn1 34a_100011216438_100000721315 [1,0,0,0,0,0|2,0,1]=4 1094 B14R1.123 CCSCCCOCc1ccccn1 7a_100011216438_100000721315 [1,0,0,0,0,0|2,0,1]=4 1095 B14R1.123 CCSCCCOCc1cccnc1 34a_100011216438_100000733263 [1,0,0,0,0,0|2,0,1]=4 1096 B14R1.123 CCSCCCOCc1cccnc1 7a_100011216438_100000741622 [1,0,0,0,0,0|2,0,1]=4 1097 B14R1.123 CCSCCCOCc1ccncc1 7a_100011216438_100015193705 [1,0,0,0,0,0|2,0,1]=4 1098 B14R1.123 CNCCCCCCc1ccccc1 2230a_106832991635_100011218729 [1,0,0,0,0,0|2,0,1]=4 1099 B14R1.123 CNCCCCCCc1ccccc1 34a_100102657272_100011218729 [1,0,0,0,0,0|2,0,1]=4 1100 B14R1.123 CNCCCCCCc1ccccc1 7a_106832991635_100011218729 [1,0,0,0,0,0|2,0,1]=4 1101 B14R1.123 CNCCCCCOc1ccccc1 2230a_106832991635_200011777167 [1,0,0,0,0,0|3,0,0]=4 1102 B14R1.123 CNCCCCCOc1ccccc1 34a_100102657272_200011777167 [1,0,0,0,0,0|3,0,0]=4 1103 B14R1.123 CNCCCCCOc1ccccc1 7a_106832991635_200011777167 [1,0,0,0,0,0|3,0,0]=4 1104 B14R1.123 CNCCCCOCc1ccccc1 2230a_100000748060_200000210301 [1,0,0,0,0,0|1,0,1]=3 1105 B14R1.123 CNCCCCOCc1ccccc1 2230a_106832991635_100011219843 [1,0,0,0,0,0|1,0,1]=3 1106 B14R1.123 CNCCCCOCc1ccccc1 34a_100000748060_200000210301 [1,0,0,0,0,0|1,0,1]=3 1107 B14R1.123 CNCCCCOCc1ccccc1 34a_100102657272_100011219843 [1,0,0,0,0,0|1,0,1]=3 1108 B14R1.123 CNCCCCOCc1ccccc1 7a_106832991635_100011219843 [1,0,0,0,0,0|1,0,1]=3 1109 B14R1.123 COCCCCCCc1ccccc1 34a_100011215581_200000210301 [1,0,0,0,0,0|2,0,1]=4 1110 B14R1.123 COCCCCCCc1ccccc1 34a_100138415774_100011218729 [1,0,0,0,0,0|2,0,1]=4 1111 B14R1.123 COCCCCCCc1ccccc1 7a_100011215581_200000210301 [1,0,0,0,0,0|2,0,1]=4 1112 B14R1.123 COCCCCCOc1ccccc1 34a_100138415774_200011777167 [1,0,0,0,0,0|3,0,0]=4 1113 B14R1.123 COCCCCNCc1ccccc1 2230a_100015324214_100000730899 [1,0,0,0,0,0|2,0,1]=4 1114 B14R1.123 COCCCCNCc1ccccc1 34a_100000186360_200000210301 [1,0,0,0,0,0|2,0,1]=4 1115 B14R1.123 COCCCCNCc1ccccc1 34a_100015324214_100000755781 [1,0,0,0,0,0|2,0,1]=4 1116 B14R1.123 COCCCCOCc1ccccc1 34a_100000210790_100000755781 [1,0,0,0,0,0|1,0,1]=3 1117 B14R1.123 COCCCCOCc1ccccc1 34a_100000740925_100015291786 [1,0,0,0,0,0|1,0,1]=3 1118 B14R1.123 COCCCCOCc1ccccc1 34a_100011215074_200000210301 [1,0,0,0,0,0|1,0,1]=3 1119 B14R1.123 COCCCCOCc1ccccc1 34a_100138415774_100011219843 [1,0,0,0,0,0|1,0,1]=3 1120 B14R1.123 COCCCCOCc1ccccc1 7a_100000210790_100000730899 [1,0,0,0,0,0|1,0,1]=3 1121 B14R1.123 COCCCCOCc1ccccc1 7a_100011215074_200000210301 [1,0,0,0,0,0|1,0,1]=3 1122 B14R1.123 COCCCCOCc1ccccn1 34a_100000740925_100000721315 [1,0,0,0,0,0|2,0,1]=4 1123 B14R1.123 COCCCCOCc1cccnc1 34a_100000740925_100000733263 [1,0,0,0,0,0|2,0,1]=4 1124 B14R1.123 COCCCCSCc1ccccc1 62a_100000211182_100000730899 [1,0,0,0,0,0|1,1,1]=4 1125 B14R1.123 COCCCCSCc1ccccc1 62a_100000730899_100015291786 [1,0,0,0,0,0|1,1,1]=4 1126 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100000209980_100016265936 [1,0,0,0,0,0|3,0,0]=4 1127 B14R1.123 COCCNC/C=C/c1ccccc1 2230a_100020603302_100011201679 [1,0,0,0,0,0|3,0,0]=4 1128 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603302_100011201679 [1,0,0,0,0,0|3,0,0]=4 1129 B14R1.123 COCCNC/C=C/c1ccccc1 34a_100020603566_200000210301 [1,0,0,0,0,0|3,0,0]=4 1130 B14R1.123 COCCNCC=Cc1ccccc1 270004a_100000209980_100000210105 [1,0,0,0,0,0|3,0,0]=4 1131 B14R1.123 COCCNCOCc1ccccc1 2230a_100000209980_100000763385 [1,0,0,0,0,0|2,0,1]=4 1132 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210237_100016265936 [1,0,0,0,0,0|3,0,0]=4 1133 B14R1.123 COCCOC/C=C/c1ccccc1 34a_100000210256_100011201679 [1,0,0,0,0,0|3,0,0]=4 1134 B14R1.123 COCCOCOCc1ccccc1 34a_100000210237_100000763385 [1,0,0,0,0,0|2,0,1]=4 1135 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100000233755_100016265936 [1,0,0,0,0,0|3,0,0]=4 1136 B14R1.123 COCCSC/C=C/c1ccccc1 62a_100016265936_100000233755 [1,0,0,0,0,0|3,0,0]=4 1137 B14R1.123 COCCSCOCc1ccccc1 62a_100000233755_100000763385 [1,0,0,0,0,0|2,0,1]=4 1138 B14R1.123 COCCSCOCc1ccccc1 62a_100000763385_100000233755 [1,0,0,0,0,0|2,0,1]=4 1139 B14R1.123 COCNCCOCc1ccccc1 2230a_100000753106_100000766300 [1,0,0,0,0,0|2,0,1]=4 1140 B14R1.123 COCSCCOCc1ccccc1 62a_100000234347_100000766300 [1,0,0,0,0,0|2,0,1]=4 1141 B14R1.123 COCSCCOCc1ccccc1 62a_100000766300_100000234347 [1,0,0,0,0,0|2,0,1]=4 1142 B14R1.123 CSCCCCCCc1ccccc1 62a_100011218729_200000210301 [1,0,0,0,0,0|2,0,1]=4 1143 B14R1.123 CSCCCCCCc1ccccc1 62a_200000210301_100011218729 [1,0,0,0,0,0|2,0,1]=4 1144 B14R1.123 CSCCCCCOc1ccccc1 62a_200000210301_200011777167 [1,0,0,0,0,0|3,0,0]=4 1145 B14R1.123 CSCCCCCOc1ccccc1 62a_200011777167_200000210301 [1,0,0,0,0,0|3,0,0]=4 1146 B14R1.123 CSCCCCOCc1ccccc1 34a_100011217163_100015291786 [1,0,0,0,0,0|1,0,1]=3 1147 B14R1.123 CSCCCCOCc1ccccc1 62a_100011219843_200000210301 [1,0,0,0,0,0|1,0,1]=3 1148 B14R1.123 CSCCCCOCc1ccccc1 62a_200000210301_100011219843 [1,0,0,0,0,0|1,0,1]=3 1149 B14R1.123 CSCCCCOCc1ccccc1 7a_100011217163_100000211182 [1,0,0,0,0,0|1,0,1]=3 1150 B14R1.123 CSCCCCOCc1ccccn1 34a_100011217163_100000721315 [1,0,0,0,0,0|2,0,1]=4 1151 B14R1.123 CSCCCCOCc1ccccn1 7a_100011217163_100000721315 [1,0,0,0,0,0|2,0,1]=4 1152 B14R1.123 CSCCCCOCc1cccnc1 34a_100011217163_100000733263 [1,0,0,0,0,0|2,0,1]=4 1153 B14R1.123 CSCCCCOCc1cccnc1 7a_100011217163_100000741622 [1,0,0,0,0,0|2,0,1]=4 1154 B14R1.123 CSCCCCOCc1ccncc1 7a_100011217163_100015193705 [1,0,0,0,0,0|2,0,1]=4 1155 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020590264_100016265936 [1,0,0,0,0,0|3,0,0]=4 1156 B14R1.123 CSCCNC/C=C/c1ccccc1 2230a_100020603302_100000751147 [1,0,0,0,0,0|3,0,0]=4 1157 B14R1.123 CSCCNC/C=C/c1ccccc1 34a_100020603302_100000212216 [1,0,0,0,0,0|3,0,0]=4 1158 B14R1.123 CSCCNCC=Cc1ccccc1 270004a_100020590264_100000210105 [1,0,0,0,0,0|3,0,0]=4 1159 B14R1.123 CSCCNCOCc1ccccc1 2230a_100020590264_100000763385 [1,0,0,0,0,0|2,0,1]=4 1160 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000210256_100000212216 [1,0,0,0,0,0|3,0,0]=4 1161 B14R1.123 CSCCOC/C=C/c1ccccc1 34a_100000230434_100016265936 [1,0,0,0,0,0|3,0,0]=4 1162 B14R1.123 CSCCOC/C=C/c1ccccc1 7a_100000230434_100016265936 [1,0,0,0,0,0|3,0,0]=4 1163 B14R1.123 CSCCOCOCc1ccccc1 34a_100000230434_100000763385 [1,0,0,0,0,0|2,0,1]=4 1164 B14R1.123 CSCCSC/C=C/c1ccccc1 62a_100000212216_100016265936 [1,0,0,0,0,0|3,0,0]=4 1165 B14R1.123 CSCCSC/C=C/c1ccccc1 62a_100016265936_100000751147 [1,0,0,0,0,0|3,0,0]=4 1166 B14R1.123 CSCCSCOCc1ccccc1 62a_100000212216_100000763385 [1,0,0,0,0,0|2,0,1]=4 1167 B14R1.123 CSCCSCOCc1ccccc1 62a_100000763385_100000751147 [1,0,0,0,0,0|2,0,1]=4 1168 B14R1.123 CSCNCCOCc1ccccc1 2230a_100000753106_100011218213 [1,0,0,0,0,0|2,0,1]=4 1169 B14R1.123 CSCNCCOCc1ccccc1 34a_100000753106_100011218213 [1,0,0,0,0,0|2,0,1]=4 1170 B14R1.123 CSCOCCOCc1ccccc1 34a_100000759325_100011218213 [1,0,0,0,0,0|2,0,1]=4 1171 B14R1.123 CSCSCCOCc1ccccc1 62a_100000234347_100011218213 [1,0,0,0,0,0|2,0,1]=4 1172 B14R1.123 CSCSCCOCc1ccccc1 62a_100011218213_100000234347 [1,0,0,0,0,0|2,0,1]=4 1173 B14R1.123 ClCCCCCOCc1ccccc1 34a_100000746330_100015291786 [1,0,0,0,0,0|1,0,1]=3 1174 B14R1.123 ClCCCCCOCc1ccccc1 7a_100000746330_100000211182 [1,0,0,0,0,0|1,0,1]=3 1175 B14R1.123 ClCCCCCOCc1ccccn1 34a_100000746330_100000721315 [1,0,0,0,0,0|2,0,1]=4 1176 B14R1.123 ClCCCCCOCc1ccccn1 7a_100000746330_100000721315 [1,0,0,0,0,0|2,0,1]=4 1177 B14R1.123 ClCCCCCOCc1cccnc1 34a_100000746330_100000733263 [1,0,0,0,0,0|2,0,1]=4 1178 B14R1.123 ClCCCCCOCc1cccnc1 7a_100000746330_100000741622 [1,0,0,0,0,0|2,0,1]=4 1179 B14R1.123 ClCCCCCOCc1ccncc1 7a_100000746330_100015193705 [1,0,0,0,0,0|2,0,1]=4 1180 B14R1.123 ClCCCOC/C=C/c1ccccc1 34a_100000230001_100016265936 [1,0,0,0,0,0|3,0,0]=4 1181 B14R1.123 ClCCCOCOCc1ccccc1 34a_100000230001_100000763385 [1,0,0,0,0,0|2,0,1]=4 1182 B14R1.123 ClCCOCCOCc1ccccc1 34a_100011215305_100015291786 [1,0,0,0,0,0|2,0,1]=4 1183 B14R1.123 ClCCOCCOCc1ccccc1 7a_100011215305_100000211182 [1,0,0,0,0,0|2,0,1]=4 1184 B14R1.123 FCCCCCCNc1ccccc1 34a_100000106764_100015922095 [1,0,0,0,0,0|3,0,0]=4 1185 B14R1.123 FCCCCCCOc1ccccc1 34a_100000210340_100015922095 [1,0,0,0,0,0|3,0,0]=4 1186 B14R1.123 FCCCCCCOc1ccccc1 7a_100000210340_100015922095 [1,0,0,0,0,0|3,0,0]=4 1187 B14R1.123 FCCCCCCSc1ccccc1 62a_100000719477_100015922095 [1,0,0,0,0,0|3,0,0]=4 1188 B14R1.123 FCCCCCCSc1ccccc1 62a_100015922095_100000041952 [1,0,0,0,0,0|3,0,0]=4 1189 B14R1.123 FCCCCCNCc1ccccc1 2230a_100015324214_100000729378 [1,0,0,0,0,0|2,0,1]=4 1190 B14R1.123 FCCCCCNCc1ccccc1 34a_100015324214_100000729378 [1,0,0,0,0,0|2,0,1]=4 1191 B14R1.123 FCCCCCOCc1ccccc1 34a_100000210790_100000729378 [1,0,0,0,0,0|1,0,1]=3 1192 B14R1.123 FCCCCCOCc1ccccc1 7a_100000210790_100000729378 [1,0,0,0,0,0|1,0,1]=3 1193 B14R1.123 FCCCCCSCc1ccccc1 62a_100000211182_100000729378 [1,0,0,0,0,0|1,1,1]=4 1194 B14R1.123 FCCCCCSCc1ccccc1 62a_100000729378_100015291786 [1,0,0,0,0,0|1,1,1]=4 1195 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100015189416_100016265936 [1,0,0,0,0,0|3,0,0]=4 1196 B14R1.123 FCCCNC/C=C/c1ccccc1 2230a_100020603302_100011934791 [1,0,0,0,0,0|3,0,0]=4 1197 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100015189416_100016265936 [1,0,0,0,0,0|3,0,0]=4 1198 B14R1.123 FCCCNC/C=C/c1ccccc1 34a_100020603302_100011934791 [1,0,0,0,0,0|3,0,0]=4 1199 B14R1.123 FCCCNCC=Cc1ccccc1 270004a_100015189416_100000210105 [1,0,0,0,0,0|3,0,0]=4 1200 B14R1.123 FCCCNCOCc1ccccc1 2230a_100015189416_100000763385 [1,0,0,0,0,0|2,0,1]=4 1201 B14R1.123 FCCCNCOCc1ccccc1 34a_100015189416_100000763385 [1,0,0,0,0,0|2,0,1]=4 1202 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000210256_100011934791 [1,0,0,0,0,0|3,0,0]=4 1203 B14R1.123 FCCCOC/C=C/c1ccccc1 34a_100000759539_100016265936 [1,0,0,0,0,0|3,0,0]=4 1204 B14R1.123 FCCCOCOCc1ccccc1 34a_100000759539_100000763385 [1,0,0,0,0,0|2,0,1]=4 1205 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100011934791_100016265936 [1,0,0,0,0,0|3,0,0]=4 1206 B14R1.123 FCCCSC/C=C/c1ccccc1 62a_100016265936_100011934791 [1,0,0,0,0,0|3,0,0]=4 1207 B14R1.123 FCCCSCOCc1ccccc1 62a_100000763385_100011934791 [1,0,0,0,0,0|2,0,1]=4 1208 B14R1.123 FCCCSCOCc1ccccc1 62a_100011934791_100000763385 [1,0,0,0,0,0|2,0,1]=4 1209 B14R1.123 FCCNCCOCc1ccccc1 2230a_100000753106_100011217306 [1,0,0,0,0,0|2,0,1]=4 1210 B14R1.123 FCCNCCOCc1ccccc1 34a_100000724931_100000234347 [1,0,0,0,0,0|2,0,1]=4 1211 B14R1.123 FCCNCCOCc1ccccc1 34a_100000753106_100011217306 [1,0,0,0,0,0|2,0,1]=4 1212 B14R1.123 FCCOCCOCc1ccccc1 34a_100000759325_100011217306 [1,0,0,0,0,0|2,0,1]=4 1213 B14R1.123 FCCOCCOCc1ccccc1 34a_200015357709_100015291786 [1,0,0,0,0,0|2,0,1]=4 1214 B14R1.123 FCCOCCOCc1ccccc1 7a_100000759325_100011217306 [1,0,0,0,0,0|2,0,1]=4 1215 B14R1.123 FCCOCCOCc1ccccc1 7a_200015357709_100000211182 [1,0,0,0,0,0|2,0,1]=4 1216 B14R1.123 FCCSCCOCc1ccccc1 62a_100000234347_100011217306 [1,0,0,0,0,0|2,0,1]=4 1217 B14R1.123 FCCSCCOCc1ccccc1 62a_100011217306_100000234347 [1,0,0,0,0,0|2,0,1]=4 1218 B14R1.123 FCNCCCOCc1ccccc1 34a_200000206031_100015361967 [1,0,0,0,0,0|2,0,1]=4 1219 B14R1.123 FCOCCCOCc1ccccc1 34a_100000691849_100015361967 [1,0,0,0,0,0|2,0,1]=4 1220 B14R1.123 FCOCCCOCc1ccccc1 7a_100000691849_100015361967 [1,0,0,0,0,0|2,0,1]=4 1221 B14R1.123 FCSCCCOCc1ccccc1 62a_100011215529_100015361967 [1,0,0,0,0,0|2,0,1]=4 1222 B14R1.123 FCSCCCOCc1ccccc1 62a_100015361967_100011215529 [1,0,0,0,0,0|2,0,1]=4 1223 B14R1.123 ICCCCCOCc1ccccc1 34a_200012148887_100015291786 [1,0,0,0,0,0|1,0,1]=3 1224 B14R1.123 ICCCCCOCc1ccccc1 7a_200012148887_100000211182 [1,0,0,0,0,0|1,0,1]=3 1225 B14R1.123 ICCCCCOCc1ccccn1 34a_200012148887_100000721315 [1,0,0,0,0,0|2,0,1]=4 1226 B14R1.123 ICCCCCOCc1ccccn1 7a_200012148887_100000721315 [1,0,0,0,0,0|2,0,1]=4 1227 B14R1.123 ICCCCCOCc1cccnc1 34a_200012148887_100000733263 [1,0,0,0,0,0|2,0,1]=4 1228 B14R1.123 ICCCCCOCc1cccnc1 7a_200012148887_100000741622 [1,0,0,0,0,0|2,0,1]=4 1229 B14R1.123 ICCCCCOCc1ccncc1 7a_200012148887_100015193705 [1,0,0,0,0,0|2,0,1]=4 1230 B14R1.123 ICCOCCOCc1ccccc1 34a_100012149058_100015291786 [1,0,0,0,0,0|2,0,1]=4 1231 B14R1.123 ICCOCCOCc1ccccc1 7a_100012149058_100000211182 [1,0,0,0,0,0|2,0,1]=4 1232 B14R1.123 N#CCCCCOCc1ccccc1 7a_100000210790_100000211819 [1,0,0,0,0,0|1,0,2]=4 1233 B14R1.123 NCCCCCOCc1ccccc1 34a_100000762737_100015291786 [1,0,0,0,0,0|1,0,1]=3 1234 B14R1.123 NCCCCCOCc1ccccn1 34a_100000762737_100000721315 [1,0,0,0,0,0|2,0,1]=4 1235 B14R1.123 NCCCCCOCc1cccnc1 34a_100000762737_100000733263 [1,0,0,0,0,0|2,0,1]=4 1236 B14R1.123 NCCCOC/C=C/c1ccccc1 34a_100000182051_100016265936 [1,0,0,0,0,0|3,0,0]=4 1237 B14R1.123 NCCCOCOCc1ccccc1 34a_100000182051_100000763385 [1,0,0,0,0,0|2,0,1]=4 1238 B14R1.123 NCCOCCOCc1ccccc1 34a_100000210304_100000234347 [1,0,0,0,0,0|2,0,1]=4 1239 B14R1.123 NCCOCCOCc1ccccc1 34a_100000211614_100015291786 [1,0,0,0,0,0|2,0,1]=4 1240 B14R1.123 O=CCCCCOCc1ccccc1 7a_100000210790_100000139335 [1,0,0,0,0,0|1,0,2]=4 1241 B14R1.123 OCCCCCCNc1ccccc1 34a_100000106764_100000766143 [1,0,0,0,0,0|3,0,0]=4 1242 B14R1.123 OCCCCCCOc1ccccc1 34a_100000210340_100000766143 [1,0,0,0,0,0|3,0,0]=4 1243 B14R1.123 OCCCCCCOc1ccccc1 7a_100000210340_100000766143 [1,0,0,0,0,0|3,0,0]=4 1244 B14R1.123 OCCCCCCSc1ccccc1 62a_100000719477_100000766143 [1,0,0,0,0,0|3,0,0]=4 1245 B14R1.123 OCCCCCCSc1ccccc1 62a_100000766143_100000041952 [1,0,0,0,0,0|3,0,0]=4 1246 B14R1.123 OCCCCCNCc1ccccc1 207a_100000762737_100015611070 [1,0,0,0,0,0|2,0,1]=4 1247 B14R1.123 OCCCCCNCc1ccccc1 2230a_100000762737_100015291786 [1,0,0,0,0,0|2,0,1]=4 1248 B14R1.123 OCCCCCNCc1ccccc1 2230a_100015324214_100000746330 [1,0,0,0,0,0|2,0,1]=4 1249 B14R1.123 OCCCCCNCc1ccccc1 270004a_100000762737_100015611070 [1,0,0,0,0,0|2,0,1]=4 1250 B14R1.123 OCCCCCNCc1ccccc1 34a_100000762737_100015291786 [1,0,0,0,0,0|2,0,1]=4 1251 B14R1.123 OCCCCCNCc1ccccc1 34a_100015324214_100000746330 [1,0,0,0,0,0|2,0,1]=4 1252 B14R1.123 OCCCCCOCc1ccccc1 34a_100000210790_100000746330 [1,0,0,0,0,0|1,0,1]=3 1253 B14R1.123 OCCCCCOCc1ccccc1 7a_100000210790_100000746330 [1,0,0,0,0,0|1,0,1]=3 1254 B14R1.123 OCCCCCSCc1ccccc1 62a_100000211182_100000746330 [1,0,0,0,0,0|1,1,1]=4 1255 B14R1.123 OCCCCCSCc1ccccc1 62a_100000746330_100015291786 [1,0,0,0,0,0|1,1,1]=4 1256 B14R1.123 OCCCNC/C=C/c1ccccc1 2230a_100020603302_100000230001 [1,0,0,0,0,0|3,0,0]=4 1257 B14R1.123 OCCCNC/C=C/c1ccccc1 34a_100020603302_100000230001 [1,0,0,0,0,0|3,0,0]=4 1258 B14R1.123 OCCCNCC=Cc1ccccc1 270004a_100000182051_100000210105 [1,0,0,0,0,0|3,0,0]=4 1259 B14R1.123 OCCCOC/C=C/c1ccccc1 34a_100000210256_100000230001 [1,0,0,0,0,0|3,0,0]=4 1260 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100011215043_100016265936 [1,0,0,0,0,0|3,0,0]=4 1261 B14R1.123 OCCCSC/C=C/c1ccccc1 62a_100016265936_100011215043 [1,0,0,0,0,0|3,0,0]=4 1262 B14R1.123 OCCCSCOCc1ccccc1 62a_100000763385_100011215043 [1,0,0,0,0,0|2,0,1]=4 1263 B14R1.123 OCCCSCOCc1ccccc1 62a_100011215043_100000763385 [1,0,0,0,0,0|2,0,1]=4 1264 B14R1.123 OCCNCCOCc1ccccc1 2230a_100000753106_100000211926 [1,0,0,0,0,0|2,0,1]=4 1265 B14R1.123 OCCNCCOCc1ccccc1 2230a_100016997473_100000234347 [1,0,0,0,0,0|2,0,1]=4 1266 B14R1.123 OCCNCCOCc1ccccc1 34a_100000753106_100000211926 [1,0,0,0,0,0|2,0,1]=4 1267 B14R1.123 OCCNCCOCc1ccccc1 34a_100016990907_100000234347 [1,0,0,0,0,0|2,0,1]=4 1268 B14R1.123 OCCOCCOCc1ccccc1 34a_100000210790_100000692535 [1,0,0,0,0,0|2,0,1]=4 1269 B14R1.123 OCCOCCOCc1ccccc1 34a_100000759325_100000211926 [1,0,0,0,0,0|2,0,1]=4 1270 B14R1.123 OCCOCCOCc1ccccc1 7a_100000210790_100011215305 [1,0,0,0,0,0|2,0,1]=4 1271 B14R1.123 OCCOCCOCc1ccccc1 7a_100000759325_100000211926 [1,0,0,0,0,0|2,0,1]=4 1272 B14R1.123 OCCSCCOCc1ccccc1 62a_100000211926_100000234347 [1,0,0,0,0,0|2,0,1]=4 1273 B14R1.123 OCCSCCOCc1ccccc1 62a_100000234347_100000211926 [1,0,0,0,0,0|2,0,1]=4 1274 B14R1.123 [13CH3]NCCCCOCc1ccccc1 2230a_100000748060_200025704644 [1,0,0,0,0,0|1,0,1]=3 1275 B14R1.123 [13CH3]NCCCCOCc1ccccc1 34a_100000748060_200025704644 [1,0,0,0,0,0|1,0,1]=3 1276 B14R1.123 [13CH3]OCCCCCCc1ccccc1 34a_100011215581_200025704644 [1,0,0,0,0,0|2,0,1]=4 1277 B14R1.123 [13CH3]OCCCCCCc1ccccc1 7a_100011215581_200025704644 [1,0,0,0,0,0|2,0,1]=4 1278 B14R1.123 [13CH3]OCCCCNCc1ccccc1 34a_100000186360_200025704644 [1,0,0,0,0,0|2,0,1]=4 1279 B14R1.123 [13CH3]OCCCCOCc1ccccc1 34a_100011215074_200025704644 [1,0,0,0,0,0|1,0,1]=3 1280 B14R1.123 [13CH3]OCCCCOCc1ccccc1 7a_100011215074_200025704644 [1,0,0,0,0,0|1,0,1]=3 1281 B14R1.123 [13CH3]OCCNC/C=C/c1ccccc1 34a_100020603566_200025704644 [1,0,0,0,0,0|3,0,0]=4 1282 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_100011218729_200025704644 [1,0,0,0,0,0|2,0,1]=4 1283 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_200025704644_100011218729 [1,0,0,0,0,0|2,0,1]=4 1284 B14R1.123 [13CH3]SCCCCCOc1ccccc1 62a_200011777167_200025704644 [1,0,0,0,0,0|3,0,0]=4 1285 B14R1.123 [13CH3]SCCCCCOc1ccccc1 62a_200025704644_200011777167 [1,0,0,0,0,0|3,0,0]=4 1286 B14R1.123 [13CH3]SCCCCOCc1ccccc1 62a_100011219843_200025704644 [1,0,0,0,0,0|1,0,1]=3 1287 B14R1.123 [13CH3]SCCCCOCc1ccccc1 62a_200025704644_100011219843 [1,0,0,0,0,0|1,0,1]=3 1288 B16R1.35 CCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210326 [0,1,0,0,0,0|2,0,1]=4 1289 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000185807_200012276598 [0,1,0,0,0,0|1,0,1]=3 1290 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 1458a_100000212188_100000211460 [0,1,0,0,0,0|1,0,1]=3 1291 B16R1.35 CCCCCC(=O)CC(=O)c1ccccn1 1458a_100000212188_100000027445 [0,1,0,0,0,0|2,0,1]=4 1292 B16R1.35 CCCCCC(=O)CC(=O)c1cccnc1 1458a_100000212188_100015188593 [0,1,0,0,0,0|2,0,1]=4 1293 B16R1.35 CCCCCC(=O)CC(=O)c1ccncc1 1458a_100000212188_100000027454 [0,1,0,0,0,0|2,0,1]=4 1294 B16R1.35 CCCCCC(C)NC(=O)c1ccccc1 11a_100000211957_100000185807 [0,1,0,0,0,0|1,0,0]=2 1295 B16R1.35 CCCCCC(C)NC(=O)c1ccccc1 1626a_100000211957_100000185807 [0,1,0,0,0,0|1,0,0]=2 1296 B16R1.35 CCCCCC(C)NC(=O)c1ccccc1 240690a_100000211957_100000185807 [0,1,0,0,0,0|1,0,0]=2 1297 B16R1.35 CCCCCC(C)NC(=O)c1ccccc1 527a_100000211957_100000185807 [0,1,0,0,0,0|1,0,0]=2 1298 B16R1.35 CCCCCC(C)NC(C)c1ccccc1 2230a_100000211957_100000230085 [0,1,0,0,0,0|2,0,1]=4 1299 B16R1.35 CCCCCC(C)NC(C)c1ccccc1 269862a_100000211957_100000185851 [0,1,0,0,0,0|2,0,1]=4 1300 B16R1.35 CCCCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_200011218191 [0,1,0,0,0,0|2,0,1]=4 1301 B16R1.35 CCCCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000211708 [0,1,0,0,0,0|2,0,1]=4 1302 B16R1.35 CCCCCC(C)OC(C)c1ccccc1 34a_100011215632_100000211855 [0,1,0,0,0,0|1,0,1]=3 1303 B16R1.35 CCCCCC(C)OC(C)c1ccccc1 7a_100011215632_100000230085 [0,1,0,0,0,0|1,0,1]=3 1304 B16R1.35 CCCCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_200011218191 [0,1,0,0,0,0|1,0,1]=3 1305 B16R1.35 CCCCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_200011218191 [0,1,0,0,0,0|1,0,1]=3 1306 B16R1.35 CCCCCC(C)SC(C)c1ccccc1 62a_100000230085_200011218191 [0,1,0,0,0,0|1,1,1]=4 1307 B16R1.35 CCCCCC(C)SC(C)c1ccccc1 62a_200011218191_100000230085 [0,1,0,0,0,0|1,1,1]=4 1308 B16R1.35 CCCCCN(C)CC(=O)c1ccccc1 269982a_100000223495_100000211460 [0,1,0,0,0,0|2,0,0]=3 1309 B16R1.35 CCCCCN(C)CC(=O)c1ccccn1 269982a_100000223495_100000027445 [0,1,0,0,0,0|3,0,0]=4 1310 B16R1.35 CCCCCN(C)CC(=O)c1cccnc1 269982a_100000223495_100000757877 [0,1,0,0,0,0|3,0,0]=4 1311 B16R1.35 CCCCCN(C)CC(=O)c1ccncc1 269982a_100000223495_100000027454 [0,1,0,0,0,0|3,0,0]=4 1312 B16R1.35 CCCCCN(C)CS(=O)c1ccccc1 269982a_100000223495_100000031784 [0,1,0,0,0,0|3,0,0]=4 1313 B16R1.35 CCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000182744 [0,1,0,0,0,0|2,0,1]=4 1314 B16R1.35 CCCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000211628 [0,1,0,0,0,0|2,0,1]=4 1315 B16R1.35 CCCOCC(=O)CC(=O)c1ccccc1 1458a_100000745993_100000211460 [0,1,0,0,0,0|2,0,1]=4 1316 B16R1.35 CCCSCC(=O)CC(=O)c1ccccc1 1458a_100000217233_100000211460 [0,1,0,0,0,0|2,0,1]=4 1317 B16R1.35 CCCSCC(=O)NC(=O)c1ccccc1 62a_100000210303_100000010347 [0,1,0,0,0,0|2,0,1]=4 1318 B16R1.35 CCOCCC(=O)CC(=O)c1ccccc1 1458a_100000749530_100000211460 [0,1,0,0,0,0|2,0,1]=4 1319 B16R1.35 CCSCCC(=O)CC(=O)c1ccccc1 1458a_100000230768_100000211460 [0,1,0,0,0,0|2,0,1]=4 1320 B16R1.35 CN(CCCCO)CC(=O)c1ccccc1 269982a_100000717598_100000211460 [0,1,0,0,0,0|3,0,0]=4 1321 B16R1.35 COCCCC(=O)CC(=O)c1ccccc1 1458a_100000741012_100000211460 [0,1,0,0,0,0|2,0,1]=4 1322 B16R1.35 COCCCC(C)OC(C)c1ccccc1 34a_200011539412_100000211855 [0,1,0,0,0,0|2,0,1]=4 1323 B16R1.35 COCCCC(C)OC(C)c1ccccc1 7a_200011539412_100000230085 [0,1,0,0,0,0|2,0,1]=4 1324 B16R1.35 COCCCN(C)CC(=O)c1ccccc1 269982a_100000224831_100000211460 [0,1,0,0,0,0|3,0,0]=4 1325 B16R1.35 CSCCCC(=O)CC(=O)c1ccccc1 1458a_100000173376_100000211460 [0,1,0,0,0,0|2,0,1]=4 1326 B16R1.35 O=C(CCCCO)CC(=O)c1ccccc1 1458a_100000695505_100000211460 [0,1,0,0,0,0|2,0,1]=4 1327 B16R1.64 C#CCCCCCCC(=O)c1ccccc1 1458a_100000185807_100012276617 [0,1,0,0,0,0|1,0,1]=3 1328 B16R1.64 C#CCCCCCOC(C)c1ccccc1 34a_100000766912_100000211855 [0,1,0,0,0,0|1,0,2]=4 1329 B16R1.64 C#CCCCCCOC(C)c1ccccc1 7a_100000766912_100000230085 [0,1,0,0,0,0|1,0,2]=4 1330 B16R1.64 C#CCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100012094781 [0,1,0,0,0,0|1,0,2]=4 1331 B16R1.64 C#CCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100012094781 [0,1,0,0,0,0|1,0,2]=4 1332 B16R1.64 C#CCCCCOCC(=O)c1ccccc1 7a_100000766709_100000211460 [0,1,0,0,0,0|0,0,2]=3 1333 B16R1.64 C#CCCCCOCC(=O)c1ccccn1 34a_100000766709_100000027445 [0,1,0,0,0,0|1,0,2]=4 1334 B16R1.64 C#CCCCCOCC(=O)c1ccccn1 7a_100000766709_100000027445 [0,1,0,0,0,0|1,0,2]=4 1335 B16R1.64 C#CCCCCOCC(=O)c1ccncc1 7a_100000766709_100015248511 [0,1,0,0,0,0|1,0,2]=4 1336 B16R1.64 C#CCCCCSCC(=O)c1ccccc1 62a_100000211460_100010269958 [0,1,0,0,0,0|0,1,2]=4 1337 B16R1.64 C#CCCCCSCC(=O)c1ccccc1 62a_100010269958_100000211460 [0,1,0,0,0,0|0,1,2]=4 1338 B16R1.64 C#CCCCOCCC(=O)c1ccccc1 7a_100000215630_100000750707 [0,1,0,0,0,0|1,0,2]=4 1339 B16R1.64 C#CCCCOCOC(=O)c1ccccc1 7a_100000215630_100000073877 [0,1,0,0,0,0|0,0,2]=3 1340 B16R1.64 C#CCCCSCCC(=O)c1ccccc1 62a_100000750707_100011215417 [0,1,0,0,0,0|1,0,2]=4 1341 B16R1.64 C#CCCCSCCC(=O)c1ccccc1 62a_100011215417_100000750707 [0,1,0,0,0,0|1,0,2]=4 1342 B16R1.64 C#CCCCSCOC(=O)c1ccccc1 62a_100000073877_100011215417 [0,1,0,0,0,0|0,0,2]=3 1343 B16R1.64 C#CCCCSCOC(=O)c1ccccc1 62a_100011215417_100000073877 [0,1,0,0,0,0|0,0,2]=3 1344 B16R1.64 C#CCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000688953 [0,1,0,0,0,0|1,0,2]=4 1345 B16R1.64 C#CCCNCCOC(=O)c1ccccc1 34a_100000755551_100009812718 [0,1,0,0,0,0|0,0,2]=3 1346 B16R1.64 C#CCCOCCNC(=O)c1ccccc1 34a_200000158897_100000688953 [0,1,0,0,0,0|1,0,2]=4 1347 B16R1.64 C#CCCOCCNC(=O)c1ccccc1 7a_200000158897_100000688953 [0,1,0,0,0,0|1,0,2]=4 1348 B16R1.64 C#CCCOCCOC(=O)c1ccccc1 34a_100011215631_100009812718 [0,1,0,0,0,0|0,0,2]=3 1349 B16R1.64 C#CCCOCCOC(=O)c1ccccc1 7a_100000025465_100000688953 [0,1,0,0,0,0|0,0,2]=3 1350 B16R1.64 C#CCCSCCCC(=O)c1ccccc1 62a_100000211006_100000688953 [0,1,0,0,0,0|1,0,2]=4 1351 B16R1.64 C#CCCSCCCC(=O)c1ccccc1 62a_100000688953_100000211006 [0,1,0,0,0,0|1,0,2]=4 1352 B16R1.64 C#CCCSCCNC(=O)c1ccccc1 62a_100000688953_200011215302 [0,1,0,0,0,0|1,0,2]=4 1353 B16R1.64 C#CCCSCCNC(=O)c1ccccc1 62a_200011215302_100000688953 [0,1,0,0,0,0|1,0,2]=4 1354 B16R1.64 C#CCCSCCOC(=O)c1ccccc1 62a_100000688953_100009812718 [0,1,0,0,0,0|0,0,2]=3 1355 B16R1.64 C#CCCSCCOC(=O)c1ccccc1 62a_100009812718_100000688953 [0,1,0,0,0,0|0,0,2]=3 1356 B16R1.64 C#CCNCCCOC(=O)c1ccccc1 34a_100000212058_200009892979 [0,1,0,0,0,0|0,0,2]=3 1357 B16R1.64 C#CCOCCCOC(=O)c1ccccc1 34a_100000210247_200009892979 [0,1,0,0,0,0|0,0,2]=3 1358 B16R1.64 C#CCOCCOCC(=O)c1ccccc1 7a_100000054580_100000211460 [0,1,0,0,0,0|1,0,2]=4 1359 B16R1.64 C#CCSCCCOC(=O)c1ccccc1 62a_100000038162_200009892979 [0,1,0,0,0,0|0,0,2]=3 1360 B16R1.64 C/C=C/COCCNC(=O)c1ccccc1 34a_200000158897_100102629194 [0,1,0,0,0,0|1,0,2]=4 1361 B16R1.64 C/C=C/COCCNC(=O)c1ccccc1 7a_200000158897_100102629194 [0,1,0,0,0,0|1,0,2]=4 1362 B16R1.64 C/C=C/COCCOC(=O)c1ccccc1 34a_100016270725_100009812718 [0,1,0,0,0,0|0,0,2]=3 1363 B16R1.64 C/C=C/COCCOC(=O)c1ccccc1 7a_100000025465_100102629194 [0,1,0,0,0,0|0,0,2]=3 1364 B16R1.64 C/C=C/CSCCCC(=O)c1ccccc1 62a_100000211006_100102629194 [0,1,0,0,0,0|1,0,2]=4 1365 B16R1.64 C/C=C/CSCCCC(=O)c1ccccc1 62a_100102629194_100000211006 [0,1,0,0,0,0|1,0,2]=4 1366 B16R1.64 C/C=C/CSCCNC(=O)c1ccccc1 62a_100102629194_200011215302 [0,1,0,0,0,0|1,0,2]=4 1367 B16R1.64 C/C=C/CSCCNC(=O)c1ccccc1 62a_200011215302_100102629194 [0,1,0,0,0,0|1,0,2]=4 1368 B16R1.64 C/C=C/CSCCOC(=O)c1ccccc1 62a_100009812718_100102629194 [0,1,0,0,0,0|0,0,2]=3 1369 B16R1.64 C/C=C/CSCCOC(=O)c1ccccc1 62a_100102629194_100009812718 [0,1,0,0,0,0|0,0,2]=3 1370 B16R1.64 C=CCCCCCCC(=O)c1ccccc1 1458a_100000185807_100011215473 [0,1,0,0,0,0|1,0,1]=3 1371 B16R1.64 C=CCCCCCOC(C)c1ccccc1 34a_100011216702_100000211855 [0,1,0,0,0,0|1,0,2]=4 1372 B16R1.64 C=CCCCCCOC(C)c1ccccc1 7a_100011216702_100000230085 [0,1,0,0,0,0|1,0,2]=4 1373 B16R1.64 C=CCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000700193 [0,1,0,0,0,0|1,0,2]=4 1374 B16R1.64 C=CCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000700193 [0,1,0,0,0,0|1,0,2]=4 1375 B16R1.64 C=CCCCCOCC(=O)c1ccccc1 7a_100000766645_100000211460 [0,1,0,0,0,0|0,0,2]=3 1376 B16R1.64 C=CCCCCOCC(=O)c1ccccn1 34a_100000766645_100000027445 [0,1,0,0,0,0|1,0,2]=4 1377 B16R1.64 C=CCCCCOCC(=O)c1ccccn1 7a_100000766645_100000027445 [0,1,0,0,0,0|1,0,2]=4 1378 B16R1.64 C=CCCCCOCC(=O)c1ccncc1 7a_100000766645_100015248511 [0,1,0,0,0,0|1,0,2]=4 1379 B16R1.64 C=CCCCCSCC(=O)c1ccccc1 62a_100000211460_100011215482 [0,1,0,0,0,0|0,1,2]=4 1380 B16R1.64 C=CCCCCSCC(=O)c1ccccc1 62a_100011215482_100000211460 [0,1,0,0,0,0|0,1,2]=4 1381 B16R1.64 C=CCCCNCCC(=O)c1ccccc1 2230a_100000700776_100000750707 [0,1,0,0,0,0|1,0,2]=4 1382 B16R1.64 C=CCCCOCCC(=O)c1ccccc1 7a_100000758997_100000750707 [0,1,0,0,0,0|1,0,2]=4 1383 B16R1.64 C=CCCCOCOC(=O)c1ccccc1 7a_100000758997_100000073877 [0,1,0,0,0,0|0,0,2]=3 1384 B16R1.64 C=CCCCSCCC(=O)c1ccccc1 62a_100000750707_100000757094 [0,1,0,0,0,0|1,0,2]=4 1385 B16R1.64 C=CCCCSCCC(=O)c1ccccc1 62a_100011713584_100000750707 [0,1,0,0,0,0|1,0,2]=4 1386 B16R1.64 C=CCCCSCOC(=O)c1ccccc1 62a_100000073877_100000757094 [0,1,0,0,0,0|0,0,2]=3 1387 B16R1.64 C=CCCCSCOC(=O)c1ccccc1 62a_100011713584_100000073877 [0,1,0,0,0,0|0,0,2]=3 1388 B16R1.64 C=CCCNCCCC(=O)c1ccccc1 2230a_100015191253_100000211006 [0,1,0,0,0,0|1,0,2]=4 1389 B16R1.64 C=CCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000754431 [0,1,0,0,0,0|1,0,2]=4 1390 B16R1.64 C=CCCOCCNC(=O)c1ccccc1 34a_200000158897_100000754431 [0,1,0,0,0,0|1,0,2]=4 1391 B16R1.64 C=CCCOCCNC(=O)c1ccccc1 7a_200000158897_100000754431 [0,1,0,0,0,0|1,0,2]=4 1392 B16R1.64 C=CCCOCCOC(=O)c1ccccc1 34a_100011205117_100009812718 [0,1,0,0,0,0|0,0,2]=3 1393 B16R1.64 C=CCCOCCOC(=O)c1ccccc1 7a_100000025465_100000754431 [0,1,0,0,0,0|0,0,2]=3 1394 B16R1.64 C=CCCSCCCC(=O)c1ccccc1 62a_100000211006_100000754431 [0,1,0,0,0,0|1,0,2]=4 1395 B16R1.64 C=CCCSCCCC(=O)c1ccccc1 62a_100000754431_100000211006 [0,1,0,0,0,0|1,0,2]=4 1396 B16R1.64 C=CCCSCCNC(=O)c1ccccc1 62a_100000754431_200011215302 [0,1,0,0,0,0|1,0,2]=4 1397 B16R1.64 C=CCCSCCNC(=O)c1ccccc1 62a_200011215302_100000754431 [0,1,0,0,0,0|1,0,2]=4 1398 B16R1.64 C=CCCSCCOC(=O)c1ccccc1 62a_100000754431_100009812718 [0,1,0,0,0,0|0,0,2]=3 1399 B16R1.64 C=CCCSCCOC(=O)c1ccccc1 62a_100009812718_100000754431 [0,1,0,0,0,0|0,0,2]=3 1400 B16R1.64 C=CCOCCCOC(=O)c1ccccc1 34a_200000210373_200009892979 [0,1,0,0,0,0|0,0,2]=3 1401 B16R1.64 C=CCOCCOCC(=O)c1ccccc1 7a_100000037705_100000211460 [0,1,0,0,0,0|1,0,2]=4 1402 B16R1.64 C=CCSCCCOC(=O)c1ccccc1 62a_100000210623_200009892979 [0,1,0,0,0,0|0,0,2]=3 1403 B16R1.64 C=CCSCCCOC(=O)c1ccccc1 62a_200009892979_100000210623 [0,1,0,0,0,0|0,0,2]=3 1404 B16R1.64 C=COCCSCOC(=O)c1ccccc1 62a_100000039644_100000073877 [0,1,0,0,0,0|1,0,2]=4 1405 B16R1.64 C=COCCSCOC(=O)c1ccccc1 62a_100000073877_100000039644 [0,1,0,0,0,0|1,0,2]=4 1406 B16R1.64 CC#CCNCCCC(=O)c1ccccc1 2230a_100000685387_100000211006 [0,1,0,0,0,0|1,0,2]=4 1407 B16R1.64 CC#CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000748600 [0,1,0,0,0,0|1,0,2]=4 1408 B16R1.64 CC#CCNCCOC(=O)c1ccccc1 34a_100000685387_100009812718 [0,1,0,0,0,0|0,0,2]=3 1409 B16R1.64 CC#CCOCCNC(=O)c1ccccc1 34a_200000158897_100000748600 [0,1,0,0,0,0|1,0,2]=4 1410 B16R1.64 CC#CCOCCNC(=O)c1ccccc1 7a_200000158897_100000748600 [0,1,0,0,0,0|1,0,2]=4 1411 B16R1.64 CC#CCOCCOC(=O)c1ccccc1 34a_100000761923_100009812718 [0,1,0,0,0,0|0,0,2]=3 1412 B16R1.64 CC#CCOCCOC(=O)c1ccccc1 7a_100000025465_100000748600 [0,1,0,0,0,0|0,0,2]=3 1413 B16R1.64 CC#CCSCCCC(=O)c1ccccc1 62a_100000211006_100000748600 [0,1,0,0,0,0|1,0,2]=4 1414 B16R1.64 CC#CCSCCCC(=O)c1ccccc1 62a_100000748600_100000211006 [0,1,0,0,0,0|1,0,2]=4 1415 B16R1.64 CC#CCSCCNC(=O)c1ccccc1 62a_100000748600_200011215302 [0,1,0,0,0,0|1,0,2]=4 1416 B16R1.64 CC#CCSCCNC(=O)c1ccccc1 62a_200011215302_100000748600 [0,1,0,0,0,0|1,0,2]=4 1417 B16R1.64 CC#CCSCCOC(=O)c1ccccc1 62a_100000748600_100009812718 [0,1,0,0,0,0|0,0,2]=3 1418 B16R1.64 CC#CCSCCOC(=O)c1ccccc1 62a_100009812718_100000748600 [0,1,0,0,0,0|0,0,2]=3 1419 B16R1.64 CC(COCCCCCBr)c1ccccc1 34a_100000746331_100000756946 [0,1,0,0,0,0|2,0,1]=4 1420 B16R1.64 CC(COCCCCCBr)c1ccccc1 7a_100000746331_100000756946 [0,1,0,0,0,0|2,0,1]=4 1421 B16R1.64 CC(COCCCCCCl)c1ccccc1 34a_100000746330_100000756946 [0,1,0,0,0,0|2,0,1]=4 1422 B16R1.64 CC(COCCCCCCl)c1ccccc1 7a_100000746330_100000756946 [0,1,0,0,0,0|2,0,1]=4 1423 B16R1.64 CC(COCCCCCF)c1ccccc1 34a_100011215166_100000729378 [0,1,0,0,0,0|2,0,1]=4 1424 B16R1.64 CC(COCCCCCF)c1ccccc1 7a_100011215166_100000729378 [0,1,0,0,0,0|2,0,1]=4 1425 B16R1.64 CC(COCCCCCI)c1ccccc1 34a_200012148887_100000756946 [0,1,0,0,0,0|2,0,1]=4 1426 B16R1.64 CC(COCCCCCI)c1ccccc1 7a_200012148887_100000756946 [0,1,0,0,0,0|2,0,1]=4 1427 B16R1.64 CC(COCCCCCN)c1ccccc1 34a_100000762737_100000756946 [0,1,0,0,0,0|2,0,1]=4 1428 B16R1.64 CC(COCCCCCO)c1ccccc1 34a_100011215166_100000746330 [0,1,0,0,0,0|2,0,1]=4 1429 B16R1.64 CC(COCCCCCO)c1ccccc1 7a_100011215166_100000746330 [0,1,0,0,0,0|2,0,1]=4 1430 B16R1.64 CC(NCCCCCCO)c1ccccc1 2230a_100000686447_100000230085 [0,1,0,0,0,0|2,0,1]=4 1431 B16R1.64 CC(NCCCCCCO)c1ccccc1 269862a_100000686447_100000185851 [0,1,0,0,0,0|2,0,1]=4 1432 B16R1.64 CC(NCCCCCCO)c1ccccc1 34a_100000686447_100000211855 [0,1,0,0,0,0|2,0,1]=4 1433 B16R1.64 CC(OCCCCCCBr)c1ccccc1 34a_100011215345_100000211855 [0,1,0,0,0,0|1,0,1]=3 1434 B16R1.64 CC(OCCCCCCBr)c1ccccc1 7a_100011215345_100000230085 [0,1,0,0,0,0|1,0,1]=3 1435 B16R1.64 CC(OCCCCCCCl)c1ccccc1 34a_100000766143_100000211855 [0,1,0,0,0,0|1,0,1]=3 1436 B16R1.64 CC(OCCCCCCCl)c1ccccc1 7a_100000766143_100000230085 [0,1,0,0,0,0|1,0,1]=3 1437 B16R1.64 CC(OCCCCCCF)c1ccccc1 34a_100000732779_100000211855 [0,1,0,0,0,0|1,0,1]=3 1438 B16R1.64 CC(OCCCCCCF)c1ccccc1 7a_100000732779_100000230085 [0,1,0,0,0,0|1,0,1]=3 1439 B16R1.64 CC(OCCCCCCN)c1ccccc1 34a_100000686447_100000211855 [0,1,0,0,0,0|1,0,1]=3 1440 B16R1.64 CC(OCCCNCCF)c1ccccc1 2230a_100000206020_100011217306 [0,1,0,0,0,0|2,0,1]=4 1441 B16R1.64 CC(OCCCNCCF)c1ccccc1 34a_100000206020_100011217306 [0,1,0,0,0,0|2,0,1]=4 1442 B16R1.64 CC(OCCCNCCO)c1ccccc1 2230a_100000206020_100000211926 [0,1,0,0,0,0|2,0,1]=4 1443 B16R1.64 CC(OCCCNCCO)c1ccccc1 34a_100000206020_100000211926 [0,1,0,0,0,0|2,0,1]=4 1444 B16R1.64 CC(SCCCCCCF)c1ccccc1 62a_100000230085_100015922095 [0,1,0,0,0,0|1,1,1]=4 1445 B16R1.64 CC(SCCCCCCF)c1ccccc1 62a_100015922095_100000230085 [0,1,0,0,0,0|1,1,1]=4 1446 B16R1.64 CC(SCCCCCCO)c1ccccc1 62a_100000230085_100000766143 [0,1,0,0,0,0|1,1,1]=4 1447 B16R1.64 CC(SCCCCCCO)c1ccccc1 62a_100000766143_100000230085 [0,1,0,0,0,0|1,1,1]=4 1448 B16R1.64 CC/C=C/CCCOC(C)c1ccccc1 34a_100016287902_100000211855 [0,1,0,0,0,0|1,0,2]=4 1449 B16R1.64 CC/C=C/CCCOC(C)c1ccccc1 7a_100016287902_100000230085 [0,1,0,0,0,0|1,0,2]=4 1450 B16R1.64 CC/C=C\CCOCC(=O)c1ccccc1 7a_100016288707_100000211460 [0,1,0,0,0,0|0,0,2]=3 1451 B16R1.64 CC/C=C\CCOCC(=O)c1ccccn1 34a_100016288707_100000027445 [0,1,0,0,0,0|1,0,2]=4 1452 B16R1.64 CC/C=C\CCOCC(=O)c1ccccn1 7a_100016288707_100000027445 [0,1,0,0,0,0|1,0,2]=4 1453 B16R1.64 CC/C=C\CCOCC(=O)c1ccncc1 7a_100016288707_100015248511 [0,1,0,0,0,0|1,0,2]=4 1454 B16R1.64 CC/C=C\CCSCC(=O)c1ccccc1 62a_100000211460_100015370543 [0,1,0,0,0,0|0,1,2]=4 1455 B16R1.64 CC/C=C\CCSCC(=O)c1ccccc1 62a_100015370543_100000211460 [0,1,0,0,0,0|0,1,2]=4 1456 B16R1.64 CC/C=C\CSCCC(=O)c1ccccc1 62a_100000750707_100103147603 [0,1,0,0,0,0|1,0,2]=4 1457 B16R1.64 CC/C=C\CSCCC(=O)c1ccccc1 62a_100103147603_100000750707 [0,1,0,0,0,0|1,0,2]=4 1458 B16R1.64 CC/C=C\CSCOC(=O)c1ccccc1 62a_100000073877_100103147603 [0,1,0,0,0,0|0,0,2]=3 1459 B16R1.64 CC/C=C\CSCOC(=O)c1ccccc1 62a_100103147603_100000073877 [0,1,0,0,0,0|0,0,2]=3 1460 B16R1.64 CC=CCCCOCC(=O)c1ccccn1 34a_100020645299_100000027445 [0,1,0,0,0,0|1,0,2]=4 1461 B16R1.64 CC=CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000070051 [0,1,0,0,0,0|1,0,2]=4 1462 B16R1.64 CC=CCOCCNC(=O)c1ccccc1 34a_200000158897_100000070051 [0,1,0,0,0,0|1,0,2]=4 1463 B16R1.64 CC=CCOCCNC(=O)c1ccccc1 7a_200000158897_100000070051 [0,1,0,0,0,0|1,0,2]=4 1464 B16R1.64 CC=CCOCCOC(=O)c1ccccc1 7a_100000025465_100000070051 [0,1,0,0,0,0|0,0,2]=3 1465 B16R1.64 CC=CCSCCCC(=O)c1ccccc1 62a_100000070051_100000211006 [0,1,0,0,0,0|1,0,2]=4 1466 B16R1.64 CC=CCSCCCC(=O)c1ccccc1 62a_100000211006_100000070051 [0,1,0,0,0,0|1,0,2]=4 1467 B16R1.64 CC=CCSCCNC(=O)c1ccccc1 62a_100000070051_200011215302 [0,1,0,0,0,0|1,0,2]=4 1468 B16R1.64 CC=CCSCCNC(=O)c1ccccc1 62a_200011215302_100000070051 [0,1,0,0,0,0|1,0,2]=4 1469 B16R1.64 CC=CCSCCOC(=O)c1ccccc1 62a_100000070051_100009812718 [0,1,0,0,0,0|0,0,2]=3 1470 B16R1.64 CC=CCSCCOC(=O)c1ccccc1 62a_100009812718_100000070051 [0,1,0,0,0,0|0,0,2]=3 1471 B16R1.64 CCC#CCCOCC(=O)c1ccccc1 7a_100000036655_100000211460 [0,1,0,0,0,0|0,0,2]=3 1472 B16R1.64 CCC#CCCOCC(=O)c1ccccn1 34a_100000036655_100000027445 [0,1,0,0,0,0|1,0,2]=4 1473 B16R1.64 CCC#CCCOCC(=O)c1ccccn1 7a_100000036655_100000027445 [0,1,0,0,0,0|1,0,2]=4 1474 B16R1.64 CCC#CCCOCC(=O)c1ccncc1 7a_100000036655_100015248511 [0,1,0,0,0,0|1,0,2]=4 1475 B16R1.64 CCC#CCSCCC(=O)c1ccccc1 62a_100000750707_100009813939 [0,1,0,0,0,0|1,0,2]=4 1476 B16R1.64 CCC#CCSCCC(=O)c1ccccc1 62a_100009813939_100000750707 [0,1,0,0,0,0|1,0,2]=4 1477 B16R1.64 CCC#CCSCOC(=O)c1ccccc1 62a_100000073877_100009813939 [0,1,0,0,0,0|0,0,2]=3 1478 B16R1.64 CCC#CCSCOC(=O)c1ccccc1 62a_100009813939_100000073877 [0,1,0,0,0,0|0,0,2]=3 1479 B16R1.64 CCC/C=C/COCC(=O)c1ccccc1 7a_100016278788_100000211460 [0,1,0,0,0,0|0,0,2]=3 1480 B16R1.64 CCC/C=C/COCC(=O)c1ccccn1 34a_100016278788_100000027445 [0,1,0,0,0,0|1,0,2]=4 1481 B16R1.64 CCC/C=C/COCC(=O)c1ccccn1 7a_100016278788_100000027445 [0,1,0,0,0,0|1,0,2]=4 1482 B16R1.64 CCC/C=C/COCC(=O)c1ccncc1 7a_100016278788_100015248511 [0,1,0,0,0,0|1,0,2]=4 1483 B16R1.64 CCCC#CCCOC(C)c1ccccc1 34a_100000042726_100000211855 [0,1,0,0,0,0|1,0,2]=4 1484 B16R1.64 CCCC#CCCOC(C)c1ccccc1 7a_100000042726_100000230085 [0,1,0,0,0,0|1,0,2]=4 1485 B16R1.64 CCCC#CCOCC(=O)c1ccccc1 7a_100000034806_100000211460 [0,1,0,0,0,0|0,0,2]=3 1486 B16R1.64 CCCC#CCOCC(=O)c1ccccn1 34a_100000034806_100000027445 [0,1,0,0,0,0|1,0,2]=4 1487 B16R1.64 CCCC#CCOCC(=O)c1ccccn1 7a_100000034806_100000027445 [0,1,0,0,0,0|1,0,2]=4 1488 B16R1.64 CCCC#CCOCC(=O)c1ccncc1 7a_100000034806_100015248511 [0,1,0,0,0,0|1,0,2]=4 1489 B16R1.64 CCCC/C=C/COC(C)c1ccccc1 34a_200016272032_100000211855 [0,1,0,0,0,0|1,0,2]=4 1490 B16R1.64 CCCC/C=C/COC(C)c1ccccc1 7a_200016272032_100000230085 [0,1,0,0,0,0|1,0,2]=4 1491 B16R1.64 CCCCC#CCOC(C)c1ccccc1 34a_200000034558_100000211855 [0,1,0,0,0,0|1,0,2]=4 1492 B16R1.64 CCCCC#CCOC(C)c1ccccc1 7a_200000034558_100000230085 [0,1,0,0,0,0|1,0,2]=4 1493 B16R1.64 CCCCCC#CCC(=O)c1ccccc1 1458a_100000185807_100009816472 [0,1,0,0,0,0|1,0,1]=3 1494 B16R1.64 CCCCCC=NNC(=O)c1ccccc1 4a_100000184135_100000737632 [0,1,0,0,0,0|1,0,1]=3 1495 B16R1.64 CCCCCC=NNC(=O)c1ccccn1 4a_100000184044_100000737632 [0,1,0,0,0,0|2,0,1]=4 1496 B16R1.64 CCCCCC=NNC(=O)c1cccnc1 4a_100000189771_100000737632 [0,1,0,0,0,0|2,0,1]=4 1497 B16R1.64 CCCCCC=NNC(=O)c1ccncc1 4a_100000189768_100000737632 [0,1,0,0,0,0|2,0,1]=4 1498 B16R1.64 CCCCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210759 [0,1,0,0,0,0|1,0,0]=2 1499 B16R1.64 CCCCCCCCN(C)c1ccccc1 2230a_100000210012_100000210759 [0,1,0,0,0,0|3,0,0]=4 1500 B16R1.64 CCCCCCCCN(C)c1ccccc1 2230a_200011251461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1501 B16R1.64 CCCCCCCCN(C)c1ccccc1 269982a_100000210012_100000210759 [0,1,0,0,0,0|3,0,0]=4 1502 B16R1.64 CCCCCCCCN(C)c1ccccc1 269982a_200011251461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1503 B16R1.64 CCCCCCCCN(C)c1ccccc1 34a_100000210012_100000210759 [0,1,0,0,0,0|3,0,0]=4 1504 B16R1.64 CCCCCCCCN(C)c1ccccc1 34a_200011251461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1505 B16R1.64 CCCCCCCCN(C)c1ccccc1 7a_200011251461_200000210301 [0,1,0,0,0,0|3,0,0]=4 1506 B16R1.64 CCCCCCCCN([13CH3])c1ccccc1 2230a_200011251461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1507 B16R1.64 CCCCCCCCN([13CH3])c1ccccc1 269982a_200011251461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1508 B16R1.64 CCCCCCCCN([13CH3])c1ccccc1 34a_200011251461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1509 B16R1.64 CCCCCCCCN([13CH3])c1ccccc1 7a_200011251461_200025704644 [0,1,0,0,0,0|3,0,0]=4 1510 B16R1.64 CCCCCCCNC(=O)c1ccccc1 11a_100000229938_100000185807 [0,1,0,0,0,0|1,0,0]=2 1511 B16R1.64 CCCCCCCNC(=O)c1ccccc1 1626a_100000229938_100000185807 [0,1,0,0,0,0|1,0,0]=2 1512 B16R1.64 CCCCCCCNC(=O)c1ccccc1 240690a_100000229938_100000185807 [0,1,0,0,0,0|1,0,0]=2 1513 B16R1.64 CCCCCCCNC(=O)c1ccccc1 527a_100000229938_100000185807 [0,1,0,0,0,0|1,0,0]=2 1514 B16R1.64 CCCCCCCNC(C)c1ccccc1 2230a_100000229938_100000230085 [0,1,0,0,0,0|2,0,1]=4 1515 B16R1.64 CCCCCCCNC(C)c1ccccc1 269862a_100000229938_100000185851 [0,1,0,0,0,0|2,0,1]=4 1516 B16R1.64 CCCCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210681 [0,1,0,0,0,0|2,0,1]=4 1517 B16R1.64 CCCCCCCOC(C)c1ccccc1 34a_100000210272_100000211855 [0,1,0,0,0,0|1,0,1]=3 1518 B16R1.64 CCCCCCCOC(C)c1ccccc1 7a_100000210272_100000230085 [0,1,0,0,0,0|1,0,1]=3 1519 B16R1.64 CCCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210614 [0,1,0,0,0,0|1,0,1]=3 1520 B16R1.64 CCCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210614 [0,1,0,0,0,0|1,0,1]=3 1521 B16R1.64 CCCCCCCSC(C)c1ccccc1 62a_100000210614_100000230085 [0,1,0,0,0,0|1,1,1]=4 1522 B16R1.64 CCCCCCCSC(C)c1ccccc1 62a_100000230085_100000210316 [0,1,0,0,0,0|1,1,1]=4 1523 B16R1.64 CCCCCCNCC(C)c1ccccc1 2230a_100000210581_100000756946 [0,1,0,0,0,0|2,0,1]=4 1524 B16R1.64 CCCCCCNCC(C)c1ccccc1 2230a_100000701038_100000210314 [0,1,0,0,0,0|2,0,1]=4 1525 B16R1.64 CCCCCCNCC(C)c1ccccc1 270004a_100000210581_100000212034 [0,1,0,0,0,0|2,0,1]=4 1526 B16R1.64 CCCCCCNCC(C)c1ccccc1 34a_100000701038_100000210314 [0,1,0,0,0,0|2,0,1]=4 1527 B16R1.64 CCCCCCNCC(O)c1ccccc1 2230a_100000210581_100000185958 [0,1,0,0,0,0|1,0,2]=4 1528 B16R1.64 CCCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210314 [0,1,0,0,0,0|1,0,2]=4 1529 B16R1.64 CCCCCCNC[C@@H](O)c1ccccc1 2230a_100000210581_100011933945 [0,1,0,0,0,0|1,0,2]=4 1530 B16R1.64 CCCCCCOCC(=O)c1ccccc1 7a_100000210259_100000211460 [0,1,0,0,0,0|0,0,0]=1 1531 B16R1.64 CCCCCCOCC(=O)c1ccccn1 34a_100000210259_100000027445 [0,1,0,0,0,0|1,0,0]=2 1532 B16R1.64 CCCCCCOCC(=O)c1ccccn1 7a_100000210259_100000027445 [0,1,0,0,0,0|1,0,0]=2 1533 B16R1.64 CCCCCCOCC(=O)c1ccncc1 7a_100000210259_100015248511 [0,1,0,0,0,0|1,0,0]=2 1534 B16R1.64 CCCCCCOCC(C)c1ccccc1 34a_100000210259_100000756946 [0,1,0,0,0,0|1,0,1]=3 1535 B16R1.64 CCCCCCOCC(C)c1ccccc1 34a_100011215166_100000210314 [0,1,0,0,0,0|1,0,1]=3 1536 B16R1.64 CCCCCCOCC(C)c1ccccc1 7a_100000210259_100000756946 [0,1,0,0,0,0|1,0,1]=3 1537 B16R1.64 CCCCCCOCC(C)c1ccccc1 7a_100011215166_100000210314 [0,1,0,0,0,0|1,0,1]=3 1538 B16R1.64 CCCCCCOCC(O)c1ccccc1 34a_100000210259_100000185958 [0,1,0,0,0,0|0,0,2]=3 1539 B16R1.64 CCCCCCOCC(O)c1ccccc1 7a_100000210259_100000185958 [0,1,0,0,0,0|0,0,2]=3 1540 B16R1.64 CCCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210314 [0,1,0,0,0,0|1,0,1]=3 1541 B16R1.64 CCCCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210314 [0,1,0,0,0,0|2,0,1]=4 1542 B16R1.64 CCCCCCOC[C@@H](O)c1ccccc1 34a_100000210259_100011933945 [0,1,0,0,0,0|0,0,2]=3 1543 B16R1.64 CCCCCCOC[C@@H](O)c1ccccc1 7a_100000210259_100011933945 [0,1,0,0,0,0|0,0,2]=3 1544 B16R1.64 CCCCCCSCC(=O)c1ccccc1 62a_100000210314_100000211460 [0,1,0,0,0,0|0,1,0]=2 1545 B16R1.64 CCCCCCSCC(=O)c1ccccc1 62a_100000211460_100000210757 [0,1,0,0,0,0|0,1,0]=2 1546 B16R1.64 CCCCCCSCC(=O)c1ccccn1 62a_100000027445_100000210757 [0,1,0,0,0,0|1,1,0]=3 1547 B16R1.64 CCCCCCSCC(=O)c1ccccn1 62a_100000210314_100000027445 [0,1,0,0,0,0|1,1,0]=3 1548 B16R1.64 CCCCCCSCC(=O)c1cccnc1 62a_100000210314_100000757877 [0,1,0,0,0,0|1,1,0]=3 1549 B16R1.64 CCCCCCSCC(=O)c1cccnc1 62a_100000757877_100000210757 [0,1,0,0,0,0|1,1,0]=3 1550 B16R1.64 CCCCCCSCC(=O)c1ccncc1 62a_100000027454_100000210757 [0,1,0,0,0,0|1,1,0]=3 1551 B16R1.64 CCCCCCSCC(=O)c1ccncc1 62a_100000210314_100000027454 [0,1,0,0,0,0|1,1,0]=3 1552 B16R1.64 CCCCCCSCC(=O)c1ncccn1 62a_100000210314_100020636365 [0,1,0,0,0,0|2,1,0]=4 1553 B16R1.64 CCCCCCSCC(=O)c1ncccn1 62a_100020636365_100000210757 [0,1,0,0,0,0|2,1,0]=4 1554 B16R1.64 CCCCCCSCC(C)c1ccccc1 62a_100000210314_100000756946 [0,1,0,0,0,0|1,1,1]=4 1555 B16R1.64 CCCCCCSCC(C)c1ccccc1 62a_100000756946_100000210757 [0,1,0,0,0,0|1,1,1]=4 1556 B16R1.64 CCCCCCSCC(O)c1ccccc1 62a_100000185958_100000210757 [0,1,0,0,0,0|0,1,2]=4 1557 B16R1.64 CCCCCCSCC(O)c1ccccc1 62a_100000210314_100000185958 [0,1,0,0,0,0|0,1,2]=4 1558 B16R1.64 CCCCCCSCS(=O)c1ccccc1 62a_100000210314_100000031784 [0,1,0,0,0,0|1,1,0]=3 1559 B16R1.64 CCCCCCSC[C@@H](O)c1ccccc1 62a_100000210314_100011933945 [0,1,0,0,0,0|0,1,2]=4 1560 B16R1.64 CCCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210757 [0,1,0,0,0,0|0,1,2]=4 1561 B16R1.64 CCCCCNCCC(=O)c1ccccc1 2230a_100000209983_100000750707 [0,1,0,0,0,0|1,0,0]=2 1562 B16R1.64 CCCCCNCCC(C)c1ccccc1 270004a_100000209983_100000189432 [0,1,0,0,0,0|2,0,1]=4 1563 B16R1.64 CCCCCNCCC(O)c1ccccc1 2230a_100000763605_100000210326 [0,1,0,0,0,0|1,0,2]=4 1564 B16R1.64 CCCCCNCCS(=O)c1ccccc1 2230a_100000209983_100000740319 [0,1,0,0,0,0|2,0,0]=3 1565 B16R1.64 CCCCCNCC[C@@H](O)c1ccccc1 2230a_100000209983_100000729684 [0,1,0,0,0,0|1,0,2]=4 1566 B16R1.64 CCCCCOCCC(=O)c1ccccc1 7a_100000210253_100000750707 [0,1,0,0,0,0|1,0,0]=2 1567 B16R1.64 CCCCCOCCS(=O)c1ccccc1 7a_100000210253_100000740319 [0,1,0,0,0,0|2,0,0]=3 1568 B16R1.64 CCCCCOCC[C@@H](O)c1ccccc1 34a_100000210253_100000729684 [0,1,0,0,0,0|1,0,2]=4 1569 B16R1.64 CCCCCOCC[C@@H](O)c1ccccc1 7a_100000210253_100000729684 [0,1,0,0,0,0|1,0,2]=4 1570 B16R1.64 CCCCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000718602 [0,1,0,0,0,0|2,0,1]=4 1571 B16R1.64 CCCCCOCOC(=O)c1ccccc1 7a_100000210253_100000073877 [0,1,0,0,0,0|0,0,0]=1 1572 B16R1.64 CCCCCSCCC(=O)c1ccccc1 62a_100000210326_100000750707 [0,1,0,0,0,0|1,0,0]=2 1573 B16R1.64 CCCCCSCCC(=O)c1ccccc1 62a_100000750707_100000210326 [0,1,0,0,0,0|1,0,0]=2 1574 B16R1.64 CCCCCSCCS(=O)c1ccccc1 62a_100000210326_100000740319 [0,1,0,0,0,0|2,0,0]=3 1575 B16R1.64 CCCCCSCC[C@@H](O)c1ccccc1 62a_100000210326_100000729684 [0,1,0,0,0,0|1,0,2]=4 1576 B16R1.64 CCCCCSCC[C@@H](O)c1ccccc1 62a_100000729684_100000210326 [0,1,0,0,0,0|1,0,2]=4 1577 B16R1.64 CCCCCSCOC(=O)c1ccccc1 62a_100000073877_100000210326 [0,1,0,0,0,0|0,0,0]=1 1578 B16R1.64 CCCCCSCOC(=O)c1ccccc1 62a_100000210326_100000073877 [0,1,0,0,0,0|0,0,0]=1 1579 B16R1.64 CCCCNCCCC(=O)c1ccccc1 2230a_100000102301_100000211006 [0,1,0,0,0,0|1,0,0]=2 1580 B16R1.64 CCCCNCCCC(=O)c1ccccc1 7a_106832991798_100000211006 [0,1,0,0,0,0|1,0,0]=2 1581 B16R1.64 CCCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210211 [0,1,0,0,0,0|1,0,0]=2 1582 B16R1.64 CCCCNCCNC(=O)c1ccccc1 7a_106832991798_200011215302 [0,1,0,0,0,0|1,0,0]=2 1583 B16R1.64 CCCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210211 [0,1,0,0,0,0|2,0,0]=3 1584 B16R1.64 CCCCNCCOC(=O)c1ccccc1 7a_106832991798_100000184176 [0,1,0,0,0,0|0,0,0]=1 1585 B16R1.64 CCCCOCCCC(=O)c1ccccc1 7a_100000210227_100000211006 [0,1,0,0,0,0|1,0,0]=2 1586 B16R1.64 CCCCOCCCC(N)c1ccccc1 34a_100000759318_100000210210 [0,1,0,0,0,0|2,0,1]=4 1587 B16R1.64 CCCCOCCNC(=O)c1ccccc1 34a_200000158897_100000210210 [0,1,0,0,0,0|1,0,0]=2 1588 B16R1.64 CCCCOCCNC(=O)c1ccccc1 7a_100000210227_200011215302 [0,1,0,0,0,0|1,0,0]=2 1589 B16R1.64 CCCCOCCNC(=O)c1ccccc1 7a_200000158897_100000210211 [0,1,0,0,0,0|1,0,0]=2 1590 B16R1.64 CCCCOCCN[C@H](C)c1ccccc1 2230a_100000751104_100000743108 [0,1,0,0,0,0|2,0,1]=4 1591 B16R1.64 CCCCOCCOC(=O)c1ccccc1 34a_100000210227_100009812718 [0,1,0,0,0,0|0,0,0]=1 1592 B16R1.64 CCCCOCCOC(=O)c1ccccc1 7a_100000025465_100000210211 [0,1,0,0,0,0|0,0,0]=1 1593 B16R1.64 CCCCOCCOC(=O)c1ccccc1 7a_100000210227_100000184176 [0,1,0,0,0,0|0,0,0]=1 1594 B16R1.64 CCCCOCCOC(C)c1ccccc1 34a_100000210238_100000211855 [0,1,0,0,0,0|1,0,1]=3 1595 B16R1.64 CCCCOCCOC(C)c1ccccc1 7a_100000210238_100000230085 [0,1,0,0,0,0|1,0,1]=3 1596 B16R1.64 CCCCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000743108 [0,1,0,0,0,0|1,0,1]=3 1597 B16R1.64 CCCCOCCO[C@H](C)c1ccccc1 7a_100000761318_100000743108 [0,1,0,0,0,0|1,0,1]=3 1598 B16R1.64 CCCCOCCSC(C)c1ccccc1 62a_100000230085_100000743108 [0,1,0,0,0,0|1,1,1]=4 1599 B16R1.64 CCCCOCCSC(C)c1ccccc1 62a_100000743108_100000230085 [0,1,0,0,0,0|1,1,1]=4 1600 B16R1.64 CCCCOCOCC(C)c1ccccc1 34a_100011215166_100011995733 [0,1,0,0,0,0|2,0,1]=4 1601 B16R1.64 CCCCOCOC[C@@H](N)c1ccccc1 34a_100000751927_100011995733 [0,1,0,0,0,0|2,0,1]=4 1602 B16R1.64 CCCCOCSCC(=O)c1ccccc1 62a_100000211460_100011995733 [0,1,0,0,0,0|1,1,0]=3 1603 B16R1.64 CCCCOCSCC(=O)c1ccccc1 62a_100011995733_100000211460 [0,1,0,0,0,0|1,1,0]=3 1604 B16R1.64 CCCCOCSCC(=O)c1ccccn1 62a_100000027445_100011995733 [0,1,0,0,0,0|2,1,0]=4 1605 B16R1.64 CCCCOCSCC(=O)c1ccccn1 62a_100011995733_100000027445 [0,1,0,0,0,0|2,1,0]=4 1606 B16R1.64 CCCCOCSCC(=O)c1cccnc1 62a_100000757877_100011995733 [0,1,0,0,0,0|2,1,0]=4 1607 B16R1.64 CCCCOCSCC(=O)c1cccnc1 62a_100011995733_100000757877 [0,1,0,0,0,0|2,1,0]=4 1608 B16R1.64 CCCCOCSCC(=O)c1ccncc1 62a_100000027454_100011995733 [0,1,0,0,0,0|2,1,0]=4 1609 B16R1.64 CCCCOCSCC(=O)c1ccncc1 62a_100011995733_100000027454 [0,1,0,0,0,0|2,1,0]=4 1610 B16R1.64 CCCCOCSCS(=O)c1ccccc1 62a_100011995733_100000031784 [0,1,0,0,0,0|2,1,0]=4 1611 B16R1.64 CCCCSCCCC(=O)c1ccccc1 62a_100000210211_100000211006 [0,1,0,0,0,0|1,0,0]=2 1612 B16R1.64 CCCCSCCCC(=O)c1ccccc1 62a_100000211006_100000210210 [0,1,0,0,0,0|1,0,0]=2 1613 B16R1.64 CCCCSCCNC(=O)c1ccccc1 11a_100025743550_100000185807 [0,1,0,0,0,0|1,0,0]=2 1614 B16R1.64 CCCCSCCNC(=O)c1ccccc1 1626a_100025743550_100000185807 [0,1,0,0,0,0|1,0,0]=2 1615 B16R1.64 CCCCSCCNC(=O)c1ccccc1 240690a_100025743550_100000185807 [0,1,0,0,0,0|1,0,0]=2 1616 B16R1.64 CCCCSCCNC(=O)c1ccccc1 527a_100025743550_100000185807 [0,1,0,0,0,0|1,0,0]=2 1617 B16R1.64 CCCCSCCNC(=O)c1ccccc1 62a_100000210211_200011215302 [0,1,0,0,0,0|1,0,0]=2 1618 B16R1.64 CCCCSCCNC(=O)c1ccccc1 62a_200011215302_100000210210 [0,1,0,0,0,0|1,0,0]=2 1619 B16R1.64 CCCCSCCNC(C)c1ccccc1 2230a_100025743550_100000230085 [0,1,0,0,0,0|2,0,1]=4 1620 B16R1.64 CCCCSCCNC(C)c1ccccc1 269862a_100025743550_100000185851 [0,1,0,0,0,0|2,0,1]=4 1621 B16R1.64 CCCCSCCOC(=O)c1ccccc1 62a_100000210211_100009812718 [0,1,0,0,0,0|0,0,0]=1 1622 B16R1.64 CCCCSCCOC(=O)c1ccccc1 62a_100009812718_100000210210 [0,1,0,0,0,0|0,0,0]=1 1623 B16R1.64 CCCCSCCOC(C)c1ccccc1 34a_200000230436_100000211855 [0,1,0,0,0,0|1,0,1]=3 1624 B16R1.64 CCCCSCCOC(C)c1ccccc1 7a_200000230436_100000230085 [0,1,0,0,0,0|1,0,1]=3 1625 B16R1.64 CCCNCCCOC(C)c1ccccc1 2230a_100000206020_100000210303 [0,1,0,0,0,0|1,0,1]=3 1626 B16R1.64 CCCNCCCOC(C)c1ccccc1 34a_100000206020_100000210303 [0,1,0,0,0,0|1,0,1]=3 1627 B16R1.64 CCCOCCCCN(C)c1ccccc1 7a_100011305536_100000210303 [0,1,0,0,0,0|3,0,0]=4 1628 B16R1.64 CCCOCCCNC(=O)c1ccccc1 1626a_100011217757_100000185807 [0,1,0,0,0,0|1,0,0]=2 1629 B16R1.64 CCCOCCCNC(=O)c1ccccc1 240690a_100011217757_100000185807 [0,1,0,0,0,0|1,0,0]=2 1630 B16R1.64 CCCOCCCNC(=O)c1ccccc1 527a_100011217757_100000185807 [0,1,0,0,0,0|1,0,0]=2 1631 B16R1.64 CCCOCCCNC(C)c1ccccc1 2230a_100011217757_100000230085 [0,1,0,0,0,0|2,0,1]=4 1632 B16R1.64 CCCOCCCNC(C)c1ccccc1 269862a_100011217757_100000185851 [0,1,0,0,0,0|2,0,1]=4 1633 B16R1.64 CCCOCCCNC(C)c1ccccc1 34a_100011217757_100000211855 [0,1,0,0,0,0|2,0,1]=4 1634 B16R1.64 CCCOCCCOC(=O)c1ccccc1 34a_100000210258_200009892979 [0,1,0,0,0,0|0,0,0]=1 1635 B16R1.64 CCCOCCNCC(=O)c1ccccn1 34a_100161115042_100000027445 [0,1,0,0,0,0|3,0,0]=4 1636 B16R1.64 CCCOCCOCC(=O)c1ccccc1 7a_100000752267_100000211460 [0,1,0,0,0,0|1,0,0]=2 1637 B16R1.64 CCCOCCOCC(=O)c1ccccn1 34a_100000752267_100000027445 [0,1,0,0,0,0|2,0,0]=3 1638 B16R1.64 CCCOCCOCC(=O)c1ccccn1 7a_100000752267_100000027445 [0,1,0,0,0,0|2,0,0]=3 1639 B16R1.64 CCCOCCOCC(=O)c1ccncc1 7a_100000752267_100015248511 [0,1,0,0,0,0|2,0,0]=3 1640 B16R1.64 CCCOCCOCC(C)c1ccccc1 34a_100000752267_100000756946 [0,1,0,0,0,0|2,0,1]=4 1641 B16R1.64 CCCOCCOCC(C)c1ccccc1 34a_100011215166_100011215938 [0,1,0,0,0,0|2,0,1]=4 1642 B16R1.64 CCCOCCOCC(C)c1ccccc1 7a_100000752267_100000756946 [0,1,0,0,0,0|2,0,1]=4 1643 B16R1.64 CCCOCCOCC(C)c1ccccc1 7a_100011215166_100011215938 [0,1,0,0,0,0|2,0,1]=4 1644 B16R1.64 CCCOCCOCC(O)c1ccccc1 34a_100000752267_100000185958 [0,1,0,0,0,0|1,0,2]=4 1645 B16R1.64 CCCOCCOCC(O)c1ccccc1 7a_100000752267_100000185958 [0,1,0,0,0,0|1,0,2]=4 1646 B16R1.64 CCCOCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011215938 [0,1,0,0,0,0|2,0,1]=4 1647 B16R1.64 CCCOCCOC[C@@H](O)c1ccccc1 34a_100000752267_100011933945 [0,1,0,0,0,0|1,0,2]=4 1648 B16R1.64 CCCOCCOC[C@@H](O)c1ccccc1 7a_100000752267_100011933945 [0,1,0,0,0,0|1,0,2]=4 1649 B16R1.64 CCCOCCSCC(=O)c1ccccc1 62a_100000211460_100011215938 [0,1,0,0,0,0|1,1,0]=3 1650 B16R1.64 CCCOCCSCC(=O)c1ccccc1 62a_100011215938_100000211460 [0,1,0,0,0,0|1,1,0]=3 1651 B16R1.64 CCCOCCSCC(=O)c1ccccn1 62a_100000027445_100011215938 [0,1,0,0,0,0|2,1,0]=4 1652 B16R1.64 CCCOCCSCC(=O)c1ccccn1 62a_100011215938_100000027445 [0,1,0,0,0,0|2,1,0]=4 1653 B16R1.64 CCCOCCSCC(=O)c1cccnc1 62a_100000757877_100011215938 [0,1,0,0,0,0|2,1,0]=4 1654 B16R1.64 CCCOCCSCC(=O)c1cccnc1 62a_100011215938_100000757877 [0,1,0,0,0,0|2,1,0]=4 1655 B16R1.64 CCCOCCSCC(=O)c1ccncc1 62a_100000027454_100011215938 [0,1,0,0,0,0|2,1,0]=4 1656 B16R1.64 CCCOCCSCC(=O)c1ccncc1 62a_100011215938_100000027454 [0,1,0,0,0,0|2,1,0]=4 1657 B16R1.64 CCCOCCSCS(=O)c1ccccc1 62a_100011215938_100000031784 [0,1,0,0,0,0|2,1,0]=4 1658 B16R1.64 CCCSCCCOC(=O)c1ccccc1 62a_100000210303_200009892979 [0,1,0,0,0,0|0,0,0]=1 1659 B16R1.64 CCCSCCCOC(=O)c1ccccc1 62a_200009892979_100000210303 [0,1,0,0,0,0|0,0,0]=1 1660 B16R1.64 CCCSCCOCC(=O)c1ccccc1 7a_200000230433_100000211460 [0,1,0,0,0,0|1,0,0]=2 1661 B16R1.64 CCCSCCOCC(=O)c1ccccn1 34a_200000230433_100000027445 [0,1,0,0,0,0|2,0,0]=3 1662 B16R1.64 CCCSCCOCC(=O)c1ccccn1 7a_200000230433_100000027445 [0,1,0,0,0,0|2,0,0]=3 1663 B16R1.64 CCCSCCOCC(=O)c1ccncc1 7a_200000230433_100015248511 [0,1,0,0,0,0|2,0,0]=3 1664 B16R1.64 CCCSCCOCC(C)c1ccccc1 34a_200000230433_100000756946 [0,1,0,0,0,0|2,0,1]=4 1665 B16R1.64 CCCSCCOCC(C)c1ccccc1 7a_200000230433_100000756946 [0,1,0,0,0,0|2,0,1]=4 1666 B16R1.64 CCCSCCOCC(O)c1ccccc1 34a_200000230433_100000185958 [0,1,0,0,0,0|1,0,2]=4 1667 B16R1.64 CCCSCCOCC(O)c1ccccc1 7a_200000230433_100000185958 [0,1,0,0,0,0|1,0,2]=4 1668 B16R1.64 CCCSCCOC[C@@H](O)c1ccccc1 34a_200000230433_100011933945 [0,1,0,0,0,0|1,0,2]=4 1669 B16R1.64 CCCSCCOC[C@@H](O)c1ccccc1 7a_200000230433_100011933945 [0,1,0,0,0,0|1,0,2]=4 1670 B16R1.64 CCOCCCCOC(=O)c1ccccc1 34a_100121572206_100000039408 [0,1,0,0,0,0|0,0,0]=1 1671 B16R1.64 CCOCCCNCC(=O)c1ccccn1 34a_100000210961_100000027445 [0,1,0,0,0,0|3,0,0]=4 1672 B16R1.64 CCOCCCOCC(=O)c1ccccc1 7a_100000757476_100000211460 [0,1,0,0,0,0|1,0,0]=2 1673 B16R1.64 CCOCCCOCC(=O)c1ccccn1 34a_100000757476_100000027445 [0,1,0,0,0,0|2,0,0]=3 1674 B16R1.64 CCOCCCOCC(=O)c1ccccn1 7a_100000757476_100000027445 [0,1,0,0,0,0|2,0,0]=3 1675 B16R1.64 CCOCCCOCC(=O)c1ccncc1 7a_100000757476_100015248511 [0,1,0,0,0,0|2,0,0]=3 1676 B16R1.64 CCOCCCOCC(C)c1ccccc1 34a_100000757476_100000756946 [0,1,0,0,0,0|2,0,1]=4 1677 B16R1.64 CCOCCCOCC(C)c1ccccc1 34a_100011215166_100012232248 [0,1,0,0,0,0|2,0,1]=4 1678 B16R1.64 CCOCCCOCC(C)c1ccccc1 7a_100000757476_100000756946 [0,1,0,0,0,0|2,0,1]=4 1679 B16R1.64 CCOCCCOCC(C)c1ccccc1 7a_100011215166_100012232248 [0,1,0,0,0,0|2,0,1]=4 1680 B16R1.64 CCOCCCOCC(O)c1ccccc1 34a_100000757476_100000185958 [0,1,0,0,0,0|1,0,2]=4 1681 B16R1.64 CCOCCCOCC(O)c1ccccc1 7a_100000757476_100000185958 [0,1,0,0,0,0|1,0,2]=4 1682 B16R1.64 CCOCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100012232248 [0,1,0,0,0,0|2,0,1]=4 1683 B16R1.64 CCOCCCOC[C@@H](O)c1ccccc1 34a_100000757476_100011933945 [0,1,0,0,0,0|1,0,2]=4 1684 B16R1.64 CCOCCCOC[C@@H](O)c1ccccc1 7a_100000757476_100011933945 [0,1,0,0,0,0|1,0,2]=4 1685 B16R1.64 CCOCCCSCC(=O)c1ccccc1 62a_100000211460_100012232248 [0,1,0,0,0,0|1,1,0]=3 1686 B16R1.64 CCOCCCSCC(=O)c1ccccc1 62a_100012232248_100000211460 [0,1,0,0,0,0|1,1,0]=3 1687 B16R1.64 CCOCCCSCC(=O)c1ccccn1 62a_100000027445_100012232248 [0,1,0,0,0,0|2,1,0]=4 1688 B16R1.64 CCOCCCSCC(=O)c1ccccn1 62a_100012232248_100000027445 [0,1,0,0,0,0|2,1,0]=4 1689 B16R1.64 CCOCCCSCC(=O)c1cccnc1 62a_100000757877_100012232248 [0,1,0,0,0,0|2,1,0]=4 1690 B16R1.64 CCOCCCSCC(=O)c1cccnc1 62a_100012232248_100000757877 [0,1,0,0,0,0|2,1,0]=4 1691 B16R1.64 CCOCCCSCC(=O)c1ccncc1 62a_100000027454_100012232248 [0,1,0,0,0,0|2,1,0]=4 1692 B16R1.64 CCOCCCSCC(=O)c1ccncc1 62a_100012232248_100000027454 [0,1,0,0,0,0|2,1,0]=4 1693 B16R1.64 CCOCCCSCS(=O)c1ccccc1 62a_100012232248_100000031784 [0,1,0,0,0,0|2,1,0]=4 1694 B16R1.64 CCOCCNCCC(=O)c1ccccc1 2230a_102516460346_100000750707 [0,1,0,0,0,0|2,0,0]=3 1695 B16R1.64 CCOCCNCCS(=O)c1ccccc1 2230a_102516460346_100000740319 [0,1,0,0,0,0|3,0,0]=4 1696 B16R1.64 CCOCCOCCC(=O)c1ccccc1 1458a_100000185807_100011211534 [0,1,0,0,0,0|2,0,0]=3 1697 B16R1.64 CCOCCOCCC(=O)c1ccccc1 7a_100000210136_100000750707 [0,1,0,0,0,0|2,0,0]=3 1698 B16R1.64 CCOCCOCCS(=O)c1ccccc1 7a_100000210136_100000740319 [0,1,0,0,0,0|3,0,0]=4 1699 B16R1.64 CCOCCOCOC(=O)c1ccccc1 7a_100000210136_100000073877 [0,1,0,0,0,0|1,0,0]=2 1700 B16R1.64 CCOCCSCCC(=O)c1ccccc1 62a_100000210147_100000750707 [0,1,0,0,0,0|2,0,0]=3 1701 B16R1.64 CCOCCSCCC(=O)c1ccccc1 62a_100000750707_100011215890 [0,1,0,0,0,0|2,0,0]=3 1702 B16R1.64 CCOCCSCCS(=O)c1ccccc1 62a_100000210147_100000740319 [0,1,0,0,0,0|3,0,0]=4 1703 B16R1.64 CCOCCSCOC(=O)c1ccccc1 62a_100000073877_100011215890 [0,1,0,0,0,0|1,0,0]=2 1704 B16R1.64 CCOCCSCOC(=O)c1ccccc1 62a_100000210147_100000073877 [0,1,0,0,0,0|1,0,0]=2 1705 B16R1.64 CCOCSCCCC(=O)c1ccccc1 62a_100000211006_100000739092 [0,1,0,0,0,0|2,0,0]=3 1706 B16R1.64 CCOCSCCCC(=O)c1ccccc1 62a_100000739092_100000211006 [0,1,0,0,0,0|2,0,0]=3 1707 B16R1.64 CCOCSCCNC(=O)c1ccccc1 62a_100000739092_200011215302 [0,1,0,0,0,0|2,0,0]=3 1708 B16R1.64 CCOCSCCNC(=O)c1ccccc1 62a_200011215302_100000739092 [0,1,0,0,0,0|2,0,0]=3 1709 B16R1.64 CCOCSCCOC(=O)c1ccccc1 62a_100000739092_100009812718 [0,1,0,0,0,0|1,0,0]=2 1710 B16R1.64 CCOCSCCOC(=O)c1ccccc1 62a_100009812718_100000739092 [0,1,0,0,0,0|1,0,0]=2 1711 B16R1.64 CCSCCCCOC(=O)c1ccccc1 62a_100000039408_100000210202 [0,1,0,0,0,0|0,0,0]=1 1712 B16R1.64 CCSCCCCOC(=O)c1ccccc1 62a_100000210202_100000039408 [0,1,0,0,0,0|0,0,0]=1 1713 B16R1.64 CCSCCCOCC(=O)c1ccccc1 7a_100011216438_100000211460 [0,1,0,0,0,0|1,0,0]=2 1714 B16R1.64 CCSCCCOCC(=O)c1ccccn1 34a_100011216438_100000027445 [0,1,0,0,0,0|2,0,0]=3 1715 B16R1.64 CCSCCCOCC(=O)c1ccccn1 7a_100011216438_100000027445 [0,1,0,0,0,0|2,0,0]=3 1716 B16R1.64 CCSCCCOCC(=O)c1ccncc1 7a_100011216438_100015248511 [0,1,0,0,0,0|2,0,0]=3 1717 B16R1.64 CCSCCCOCC(C)c1ccccc1 34a_100011216438_100000756946 [0,1,0,0,0,0|2,0,1]=4 1718 B16R1.64 CCSCCCOCC(C)c1ccccc1 7a_100011216438_100000756946 [0,1,0,0,0,0|2,0,1]=4 1719 B16R1.64 CCSCCCOCC(O)c1ccccc1 34a_100011216438_100000185958 [0,1,0,0,0,0|1,0,2]=4 1720 B16R1.64 CCSCCCOCC(O)c1ccccc1 7a_100011216438_100000185958 [0,1,0,0,0,0|1,0,2]=4 1721 B16R1.64 CCSCCCOC[C@@H](O)c1ccccc1 34a_100011216438_100011933945 [0,1,0,0,0,0|1,0,2]=4 1722 B16R1.64 CCSCCCOC[C@@H](O)c1ccccc1 7a_100011216438_100011933945 [0,1,0,0,0,0|1,0,2]=4 1723 B16R1.64 CCSCCNCCC(=O)c1ccccc1 2230a_100000106463_100000750707 [0,1,0,0,0,0|2,0,0]=3 1724 B16R1.64 CCSCCNCCS(=O)c1ccccc1 2230a_100000106463_100000740319 [0,1,0,0,0,0|3,0,0]=4 1725 B16R1.64 CCSCCOCCC(=O)c1ccccc1 7a_100000212035_100000750707 [0,1,0,0,0,0|2,0,0]=3 1726 B16R1.64 CCSCCOCCS(=O)c1ccccc1 7a_100000212035_100000740319 [0,1,0,0,0,0|3,0,0]=4 1727 B16R1.64 CCSCCOCOC(=O)c1ccccc1 7a_100000212035_100000073877 [0,1,0,0,0,0|1,0,0]=2 1728 B16R1.64 CCSCCSCCC(=O)c1ccccc1 62a_100000750707_100000757381 [0,1,0,0,0,0|2,0,0]=3 1729 B16R1.64 CCSCCSCCC(=O)c1ccccc1 62a_100000757381_100000750707 [0,1,0,0,0,0|2,0,0]=3 1730 B16R1.64 CCSCCSCCS(=O)c1ccccc1 62a_100000757381_100000740319 [0,1,0,0,0,0|3,0,0]=4 1731 B16R1.64 CCSCCSCOC(=O)c1ccccc1 62a_100000073877_100000757381 [0,1,0,0,0,0|1,0,0]=2 1732 B16R1.64 CCSCCSCOC(=O)c1ccccc1 62a_100000757381_100000073877 [0,1,0,0,0,0|1,0,0]=2 1733 B16R1.64 CN(CCCCCCCO)c1ccccc1 2230a_100000210012_100000760002 [0,1,0,0,0,0|3,0,0]=4 1734 B16R1.64 CN(CCCCCCCO)c1ccccc1 269982a_100000210012_100000760002 [0,1,0,0,0,0|3,0,0]=4 1735 B16R1.64 CN(CCCCCCCO)c1ccccc1 34a_100000210012_100000760002 [0,1,0,0,0,0|3,0,0]=4 1736 B16R1.64 CNCCCCCOC(C)c1ccccc1 34a_100000722520_100000211855 [0,1,0,0,0,0|1,0,1]=3 1737 B16R1.64 CNCCOCCOC(C)c1ccccc1 34a_100000228057_100000211855 [0,1,0,0,0,0|2,0,1]=4 1738 B16R1.64 COCCCCCCC(=O)c1ccccc1 1458a_100000185807_100011998445 [0,1,0,0,0,0|1,0,0]=2 1739 B16R1.64 COCCCCCCN(C)c1ccccc1 2230a_100000210012_100011998445 [0,1,0,0,0,0|3,0,0]=4 1740 B16R1.64 COCCCCCCN(C)c1ccccc1 269982a_100000210012_100011998445 [0,1,0,0,0,0|3,0,0]=4 1741 B16R1.64 COCCCCCCN(C)c1ccccc1 34a_100000210012_100011998445 [0,1,0,0,0,0|3,0,0]=4 1742 B16R1.64 COCCCCCNC(=O)c1ccccc1 11a_100000747528_100000185807 [0,1,0,0,0,0|1,0,0]=2 1743 B16R1.64 COCCCCCNC(=O)c1ccccc1 1626a_100000747528_100000185807 [0,1,0,0,0,0|1,0,0]=2 1744 B16R1.64 COCCCCCNC(=O)c1ccccc1 240690a_100000747528_100000185807 [0,1,0,0,0,0|1,0,0]=2 1745 B16R1.64 COCCCCCNC(=O)c1ccccc1 527a_100000747528_100000185807 [0,1,0,0,0,0|1,0,0]=2 1746 B16R1.64 COCCCCCNC(C)c1ccccc1 2230a_100000747528_100000230085 [0,1,0,0,0,0|2,0,1]=4 1747 B16R1.64 COCCCCCNC(C)c1ccccc1 269862a_100000747528_100000185851 [0,1,0,0,0,0|2,0,1]=4 1748 B16R1.64 COCCCCCNC(C)c1ccccc1 34a_100000747528_100000211855 [0,1,0,0,0,0|2,0,1]=4 1749 B16R1.64 COCCCCOCC(=O)c1ccccn1 34a_100000740925_100000027445 [0,1,0,0,0,0|2,0,0]=3 1750 B16R1.64 COCCCCOCC(C)c1ccccc1 34a_100000740925_100000756946 [0,1,0,0,0,0|2,0,1]=4 1751 B16R1.64 COCCCCOCC(C)c1ccccc1 34a_100011215166_100000755781 [0,1,0,0,0,0|2,0,1]=4 1752 B16R1.64 COCCCCOCC(C)c1ccccc1 7a_100011215166_100000730899 [0,1,0,0,0,0|2,0,1]=4 1753 B16R1.64 COCCCCOCC(O)c1ccccc1 34a_100000740925_100000185958 [0,1,0,0,0,0|1,0,2]=4 1754 B16R1.64 COCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000755781 [0,1,0,0,0,0|2,0,1]=4 1755 B16R1.64 COCCCCOC[C@@H](O)c1ccccc1 34a_100000740925_100011933945 [0,1,0,0,0,0|1,0,2]=4 1756 B16R1.64 COCCCCSCC(=O)c1ccccc1 62a_100000211460_100000730899 [0,1,0,0,0,0|1,1,0]=3 1757 B16R1.64 COCCCCSCC(=O)c1ccccc1 62a_100000730899_100000211460 [0,1,0,0,0,0|1,1,0]=3 1758 B16R1.64 COCCCCSCC(=O)c1ccccn1 62a_100000027445_100000730899 [0,1,0,0,0,0|2,1,0]=4 1759 B16R1.64 COCCCCSCC(=O)c1ccccn1 62a_100000730899_100000027445 [0,1,0,0,0,0|2,1,0]=4 1760 B16R1.64 COCCCCSCC(=O)c1cccnc1 62a_100000730899_100000757877 [0,1,0,0,0,0|2,1,0]=4 1761 B16R1.64 COCCCCSCC(=O)c1cccnc1 62a_100000757877_100000730899 [0,1,0,0,0,0|2,1,0]=4 1762 B16R1.64 COCCCCSCC(=O)c1ccncc1 62a_100000027454_100000730899 [0,1,0,0,0,0|2,1,0]=4 1763 B16R1.64 COCCCCSCC(=O)c1ccncc1 62a_100000730899_100000027454 [0,1,0,0,0,0|2,1,0]=4 1764 B16R1.64 COCCCCSCS(=O)c1ccccc1 62a_100000730899_100000031784 [0,1,0,0,0,0|2,1,0]=4 1765 B16R1.64 COCCCSCCC(=O)c1ccccc1 62a_100000709357_100000750707 [0,1,0,0,0,0|2,0,0]=3 1766 B16R1.64 COCCCSCCC(=O)c1ccccc1 62a_100000750707_100000709357 [0,1,0,0,0,0|2,0,0]=3 1767 B16R1.64 COCCCSCCS(=O)c1ccccc1 62a_100000709357_100000740319 [0,1,0,0,0,0|3,0,0]=4 1768 B16R1.64 COCCCSCOC(=O)c1ccccc1 62a_100000073877_100000709357 [0,1,0,0,0,0|1,0,0]=2 1769 B16R1.64 COCCCSCOC(=O)c1ccccc1 62a_100000709357_100000073877 [0,1,0,0,0,0|1,0,0]=2 1770 B16R1.64 COCCNCCCC(=O)c1ccccc1 2230a_100000209980_100000211006 [0,1,0,0,0,0|2,0,0]=3 1771 B16R1.64 COCCNCCNC(=O)c1ccccc1 2230a_100000736134_100011201679 [0,1,0,0,0,0|2,0,0]=3 1772 B16R1.64 COCCNCCNC(=O)c1ccncc1 2230a_200011198449_100011201679 [0,1,0,0,0,0|3,0,0]=4 1773 B16R1.64 COCCOCCCC(=O)c1ccccc1 1458a_100000185807_100011216529 [0,1,0,0,0,0|2,0,0]=3 1774 B16R1.64 COCCOCCNC(=O)c1ccccc1 11a_100000745349_100000185807 [0,1,0,0,0,0|2,0,0]=3 1775 B16R1.64 COCCOCCNC(=O)c1ccccc1 1626a_100000745349_100000185807 [0,1,0,0,0,0|2,0,0]=3 1776 B16R1.64 COCCOCCNC(=O)c1ccccc1 240690a_100000745349_100000185807 [0,1,0,0,0,0|2,0,0]=3 1777 B16R1.64 COCCOCCNC(=O)c1ccccc1 34a_200000158897_100011201679 [0,1,0,0,0,0|2,0,0]=3 1778 B16R1.64 COCCOCCNC(=O)c1ccccc1 527a_100000745349_100000185807 [0,1,0,0,0,0|2,0,0]=3 1779 B16R1.64 COCCOCCNC(=O)c1ccccc1 7a_200000158897_100000233755 [0,1,0,0,0,0|2,0,0]=3 1780 B16R1.64 COCCOCCOC(=O)c1ccccc1 34a_100000210237_100009812718 [0,1,0,0,0,0|1,0,0]=2 1781 B16R1.64 COCCOCCOC(=O)c1ccccc1 7a_100000025465_100000233755 [0,1,0,0,0,0|1,0,0]=2 1782 B16R1.64 COCCOCCOC(C)c1ccccc1 34a_100011215163_100000211855 [0,1,0,0,0,0|2,0,1]=4 1783 B16R1.64 COCCOCCOC(C)c1ccccc1 7a_100011215163_100000230085 [0,1,0,0,0,0|2,0,1]=4 1784 B16R1.64 COCCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000695917 [0,1,0,0,0,0|2,0,1]=4 1785 B16R1.64 COCCOCCO[C@H](C)c1ccccc1 7a_100000761318_100000695917 [0,1,0,0,0,0|2,0,1]=4 1786 B16R1.64 COCCOCSCC(=O)c1ccccc1 62a_100000211460_100000231047 [0,1,0,0,0,0|2,1,0]=4 1787 B16R1.64 COCCOCSCC(=O)c1ccccc1 62a_100000231047_100000211460 [0,1,0,0,0,0|2,1,0]=4 1788 B16R1.64 COCCSCCCC(=O)c1ccccc1 62a_100000211006_100000233755 [0,1,0,0,0,0|2,0,0]=3 1789 B16R1.64 COCCSCCCC(=O)c1ccccc1 62a_100000233755_100000211006 [0,1,0,0,0,0|2,0,0]=3 1790 B16R1.64 COCCSCCNC(=O)c1ccccc1 62a_100000233755_200011215302 [0,1,0,0,0,0|2,0,0]=3 1791 B16R1.64 COCCSCCNC(=O)c1ccccc1 62a_200011215302_100000233755 [0,1,0,0,0,0|2,0,0]=3 1792 B16R1.64 COCCSCCOC(=O)c1ccccc1 62a_100000233755_100009812718 [0,1,0,0,0,0|1,0,0]=2 1793 B16R1.64 COCCSCCOC(=O)c1ccccc1 62a_100009812718_100000233755 [0,1,0,0,0,0|1,0,0]=2 1794 B16R1.64 COCNCCCOC(C)c1ccccc1 2230a_100000206020_100000766300 [0,1,0,0,0,0|2,0,1]=4 1795 B16R1.64 COCSCCCOC(=O)c1ccccc1 62a_100000766300_200009892979 [0,1,0,0,0,0|1,0,0]=2 1796 B16R1.64 COCSCCCOC(=O)c1ccccc1 62a_200009892979_100000766300 [0,1,0,0,0,0|1,0,0]=2 1797 B16R1.64 CSCCCCOCC(=O)c1ccccc1 7a_100011217163_100000211460 [0,1,0,0,0,0|1,0,0]=2 1798 B16R1.64 CSCCCCOCC(=O)c1ccccn1 34a_100011217163_100000027445 [0,1,0,0,0,0|2,0,0]=3 1799 B16R1.64 CSCCCCOCC(=O)c1ccccn1 7a_100011217163_100000027445 [0,1,0,0,0,0|2,0,0]=3 1800 B16R1.64 CSCCCCOCC(=O)c1ccncc1 7a_100011217163_100015248511 [0,1,0,0,0,0|2,0,0]=3 1801 B16R1.64 CSCCCCOCC(C)c1ccccc1 34a_100011217163_100000756946 [0,1,0,0,0,0|2,0,1]=4 1802 B16R1.64 CSCCCCOCC(C)c1ccccc1 7a_100011217163_100000756946 [0,1,0,0,0,0|2,0,1]=4 1803 B16R1.64 CSCCCCOCC(O)c1ccccc1 34a_100011217163_100000185958 [0,1,0,0,0,0|1,0,2]=4 1804 B16R1.64 CSCCCCOCC(O)c1ccccc1 7a_100011217163_100000185958 [0,1,0,0,0,0|1,0,2]=4 1805 B16R1.64 CSCCCCOC[C@@H](O)c1ccccc1 34a_100011217163_100011933945 [0,1,0,0,0,0|1,0,2]=4 1806 B16R1.64 CSCCCCOC[C@@H](O)c1ccccc1 7a_100011217163_100011933945 [0,1,0,0,0,0|1,0,2]=4 1807 B16R1.64 CSCCCNCCC(=O)c1ccccc1 2230a_100000749238_100000750707 [0,1,0,0,0,0|2,0,0]=3 1808 B16R1.64 CSCCCNCCS(=O)c1ccccc1 2230a_100000749238_100000740319 [0,1,0,0,0,0|3,0,0]=4 1809 B16R1.64 CSCCCOCCC(=O)c1ccccc1 7a_100000690336_100000750707 [0,1,0,0,0,0|2,0,0]=3 1810 B16R1.64 CSCCCOCCS(=O)c1ccccc1 7a_100000690336_100000740319 [0,1,0,0,0,0|3,0,0]=4 1811 B16R1.64 CSCCCOCOC(=O)c1ccccc1 7a_100000690336_100000073877 [0,1,0,0,0,0|1,0,0]=2 1812 B16R1.64 CSCCNCCCC(=O)c1ccccc1 2230a_100020590264_100000211006 [0,1,0,0,0,0|2,0,0]=3 1813 B16R1.64 CSCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000751147 [0,1,0,0,0,0|2,0,0]=3 1814 B16R1.64 CSCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000751147 [0,1,0,0,0,0|3,0,0]=4 1815 B16R1.64 CSCCOCCCC(=O)c1ccccc1 7a_100000230434_100000211006 [0,1,0,0,0,0|2,0,0]=3 1816 B16R1.64 CSCCOCCNC(=O)c1ccccc1 34a_200000158897_100000212216 [0,1,0,0,0,0|2,0,0]=3 1817 B16R1.64 CSCCOCCNC(=O)c1ccccc1 7a_100000230434_200011215302 [0,1,0,0,0,0|2,0,0]=3 1818 B16R1.64 CSCCOCCNC(=O)c1ccccc1 7a_200000158897_100000212216 [0,1,0,0,0,0|2,0,0]=3 1819 B16R1.64 CSCCOCCOC(=O)c1ccccc1 34a_100000230434_100009812718 [0,1,0,0,0,0|1,0,0]=2 1820 B16R1.64 CSCCOCCOC(=O)c1ccccc1 7a_100000025465_100000212216 [0,1,0,0,0,0|1,0,0]=2 1821 B16R1.64 CSCCOCCOC(=O)c1ccccc1 7a_100000230434_100000184176 [0,1,0,0,0,0|1,0,0]=2 1822 B16R1.64 CSCCSCCCC(=O)c1ccccc1 62a_100000211006_100000751147 [0,1,0,0,0,0|2,0,0]=3 1823 B16R1.64 CSCCSCCCC(=O)c1ccccc1 62a_100000212216_100000211006 [0,1,0,0,0,0|2,0,0]=3 1824 B16R1.64 CSCCSCCNC(=O)c1ccccc1 62a_100000212216_200011215302 [0,1,0,0,0,0|2,0,0]=3 1825 B16R1.64 CSCCSCCNC(=O)c1ccccc1 62a_200011215302_100000751147 [0,1,0,0,0,0|2,0,0]=3 1826 B16R1.64 CSCCSCCOC(=O)c1ccccc1 62a_100000212216_100009812718 [0,1,0,0,0,0|1,0,0]=2 1827 B16R1.64 CSCCSCCOC(=O)c1ccccc1 62a_100009812718_100000751147 [0,1,0,0,0,0|1,0,0]=2 1828 B16R1.64 CSCNCCCOC(C)c1ccccc1 2230a_100000206020_100011218213 [0,1,0,0,0,0|2,0,1]=4 1829 B16R1.64 CSCNCCCOC(C)c1ccccc1 34a_100000206020_100011218213 [0,1,0,0,0,0|2,0,1]=4 1830 B16R1.64 CSCSCCCOC(=O)c1ccccc1 62a_100011218213_200009892979 [0,1,0,0,0,0|1,0,0]=2 1831 B16R1.64 CSCSCCCOC(=O)c1ccccc1 62a_200009892979_100011218213 [0,1,0,0,0,0|1,0,0]=2 1832 B16R1.64 C[C@@H](NCCCCCCF)c1ccccc1 2230a_100000751104_100015922095 [0,1,0,0,0,0|2,0,1]=4 1833 B16R1.64 C[C@@H](NCCCCCCO)c1ccccc1 2230a_100000751104_100000766143 [0,1,0,0,0,0|2,0,1]=4 1834 B16R1.64 C[C@@H](OCCCCCC#N)c1ccccc1 7a_100000761318_100009813376 [0,1,0,0,0,0|1,0,2]=4 1835 B16R1.64 C[C@@H](OCCCCCC=O)c1ccccc1 7a_100000761318_100000139337 [0,1,0,0,0,0|1,0,2]=4 1836 B16R1.64 C[C@@H](OCCCCCCF)c1ccccc1 34a_100000761318_100015922095 [0,1,0,0,0,0|1,0,1]=3 1837 B16R1.64 C[C@@H](OCCCCCCF)c1ccccc1 7a_100000761318_100015922095 [0,1,0,0,0,0|1,0,1]=3 1838 B16R1.64 C[C@@H](OCCCCCCO)c1ccccc1 34a_100000761318_100000766143 [0,1,0,0,0,0|1,0,1]=3 1839 B16R1.64 C[C@@H](OCCCCCCO)c1ccccc1 7a_100000761318_100000766143 [0,1,0,0,0,0|1,0,1]=3 1840 B16R1.64 N#CCCCCCCC(=O)c1ccccc1 1458a_100000185807_100009813337 [0,1,0,0,0,0|1,0,1]=3 1841 B16R1.64 N#CCCCCCNC(=O)c1ccccc1 11a_100000061152_100000185807 [0,1,0,0,0,0|1,0,1]=3 1842 B16R1.64 N#CCCCCCNC(=O)c1ccccc1 1626a_100000061152_100000185807 [0,1,0,0,0,0|1,0,1]=3 1843 B16R1.64 N#CCCCCCNC(=O)c1ccccc1 240690a_100000061152_100000185807 [0,1,0,0,0,0|1,0,1]=3 1844 B16R1.64 N#CCCCCCNC(=O)c1ccccc1 527a_100000061152_100000185807 [0,1,0,0,0,0|1,0,1]=3 1845 B16R1.64 N#CCCCCSCC(=O)c1ccccc1 62a_100000211460_100000211819 [0,1,0,0,0,0|1,1,1]=4 1846 B16R1.64 N#CCCCCSCC(=O)c1ccccc1 62a_100011219923_100000211460 [0,1,0,0,0,0|1,1,1]=4 1847 B16R1.64 N#CCCCSCCC(=O)c1ccccc1 62a_100000687738_100000750707 [0,1,0,0,0,0|2,0,1]=4 1848 B16R1.64 N#CCCCSCCC(=O)c1ccccc1 62a_100000750707_100000687738 [0,1,0,0,0,0|2,0,1]=4 1849 B16R1.64 N#CCCCSCOC(=O)c1ccccc1 62a_100000073877_100000687738 [0,1,0,0,0,0|1,0,1]=3 1850 B16R1.64 N#CCCCSCOC(=O)c1ccccc1 62a_100000687738_100000073877 [0,1,0,0,0,0|1,0,1]=3 1851 B16R1.64 N#CCCNCCNC(=O)c1ccccc1 2230a_100000736134_100011215226 [0,1,0,0,0,0|2,0,1]=4 1852 B16R1.64 N#CCCOCCNC(=O)c1ccccc1 7a_200000158897_100000184422 [0,1,0,0,0,0|2,0,1]=4 1853 B16R1.64 N#CCCOCCOC(=O)c1ccccc1 7a_100000025465_100000184422 [0,1,0,0,0,0|1,0,1]=3 1854 B16R1.64 N#CCCSCCCC(=O)c1ccccc1 62a_100000211006_100011215226 [0,1,0,0,0,0|2,0,1]=4 1855 B16R1.64 N#CCCSCCCC(=O)c1ccccc1 62a_100011215226_100000211006 [0,1,0,0,0,0|2,0,1]=4 1856 B16R1.64 N#CCCSCCNC(=O)c1ccccc1 62a_100011215226_200011215302 [0,1,0,0,0,0|2,0,1]=4 1857 B16R1.64 N#CCCSCCNC(=O)c1ccccc1 62a_200011215302_100011215226 [0,1,0,0,0,0|2,0,1]=4 1858 B16R1.64 N#CCCSCCOC(=O)c1ccccc1 62a_100009812718_100011215226 [0,1,0,0,0,0|1,0,1]=3 1859 B16R1.64 N#CCCSCCOC(=O)c1ccccc1 62a_100011215226_100009812718 [0,1,0,0,0,0|1,0,1]=3 1860 B16R1.64 N#CCSCCCOC(=O)c1ccccc1 62a_100011215382_200009892979 [0,1,0,0,0,0|1,0,1]=3 1861 B16R1.64 N#CCSCCCOC(=O)c1ccccc1 62a_200009892979_100011215382 [0,1,0,0,0,0|1,0,1]=3 1862 B16R1.64 N#CSCCSCOC(=O)c1ccccc1 62a_100000034367_100000073877 [0,1,0,0,0,0|2,0,1]=4 1863 B16R1.64 N#CSCCSCOC(=O)c1ccccc1 62a_100000073877_100000034367 [0,1,0,0,0,0|2,0,1]=4 1864 B16R1.64 N#CSCSCCOC(=O)c1ccccc1 62a_100000211825_100009812718 [0,1,0,0,0,0|2,0,1]=4 1865 B16R1.64 N#CSCSCCOC(=O)c1ccccc1 62a_100009812718_100000211825 [0,1,0,0,0,0|2,0,1]=4 1866 B16R1.64 NCCCCCOCC(=O)c1ccccn1 34a_100000762737_100000027445 [0,1,0,0,0,0|2,0,0]=3 1867 B16R1.64 NCCCCCOCC(O)c1ccccc1 34a_100000762737_100000185958 [0,1,0,0,0,0|1,0,2]=4 1868 B16R1.64 NCCCCCOC[C@@H](O)c1ccccc1 34a_100000762737_100011933945 [0,1,0,0,0,0|1,0,2]=4 1869 B16R1.64 NCCCOCCOC(=O)c1ccccc1 34a_100000182051_100009812718 [0,1,0,0,0,0|1,0,0]=2 1870 B16R1.64 NCCOCCCOC(=O)c1ccccc1 34a_100000210304_200009892979 [0,1,0,0,0,0|1,0,0]=2 1871 B16R1.64 NCCOCCOCC(=O)c1ccccn1 34a_100000211614_100000027445 [0,1,0,0,0,0|3,0,0]=4 1872 B16R1.64 NOCCOCCOC(=O)c1ccccc1 34a_100000700252_100009812718 [0,1,0,0,0,0|2,0,0]=3 1873 B16R1.64 N[C@H](COCCCCCF)c1ccccc1 34a_100000751927_100000729378 [0,1,0,0,0,0|2,0,1]=4 1874 B16R1.64 N[C@H](COCCCCCO)c1ccccc1 34a_100000751927_100000746330 [0,1,0,0,0,0|2,0,1]=4 1875 B16R1.64 O=C(CCCCCCCO)c1ccccc1 1458a_100000185807_100000760002 [0,1,0,0,0,0|1,0,0]=2 1876 B16R1.64 O=C(CCCNCCCF)c1ccccc1 2230a_100015189416_100000211006 [0,1,0,0,0,0|2,0,0]=3 1877 B16R1.64 O=C(CCCSCCCF)c1ccccc1 62a_100000211006_100011934791 [0,1,0,0,0,0|2,0,0]=3 1878 B16R1.64 O=C(CCCSCCCF)c1ccccc1 62a_100011934791_100000211006 [0,1,0,0,0,0|2,0,0]=3 1879 B16R1.64 O=C(CCCSCCCO)c1ccccc1 62a_100000211006_100011215043 [0,1,0,0,0,0|2,0,0]=3 1880 B16R1.64 O=C(CCCSCCCO)c1ccccc1 62a_100011215043_100000211006 [0,1,0,0,0,0|2,0,0]=3 1881 B16R1.64 O=C(CCNCCCCO)c1ccccc1 2230a_100000750430_100000750707 [0,1,0,0,0,0|2,0,0]=3 1882 B16R1.64 O=C(CCOCCCCCl)c1ccccc1 7a_100000210776_100000750707 [0,1,0,0,0,0|2,0,0]=3 1883 B16R1.64 O=C(CCOCCCCF)c1ccccc1 7a_100011995726_100000750707 [0,1,0,0,0,0|2,0,0]=3 1884 B16R1.64 O=C(CCSCCCCF)c1ccccc1 62a_100000729493_100000750707 [0,1,0,0,0,0|2,0,0]=3 1885 B16R1.64 O=C(CCSCCCCF)c1ccccc1 62a_100000750707_100000729493 [0,1,0,0,0,0|2,0,0]=3 1886 B16R1.64 O=C(CCSCCCCO)c1ccccc1 62a_100000210776_100000750707 [0,1,0,0,0,0|2,0,0]=3 1887 B16R1.64 O=C(CCSCCCCO)c1ccccc1 62a_100000750707_100000210776 [0,1,0,0,0,0|2,0,0]=3 1888 B16R1.64 O=C(CNCCCCCO)c1ccccn1 34a_100000762737_100000027445 [0,1,0,0,0,0|3,0,0]=4 1889 B16R1.64 O=C(COCCCCCBr)c1ccccc1 7a_100000746331_100000211460 [0,1,0,0,0,0|1,0,0]=2 1890 B16R1.64 O=C(COCCCCCBr)c1ccccn1 34a_100000746331_100000027445 [0,1,0,0,0,0|2,0,0]=3 1891 B16R1.64 O=C(COCCCCCBr)c1ccccn1 7a_100000746331_100000027445 [0,1,0,0,0,0|2,0,0]=3 1892 B16R1.64 O=C(COCCCCCBr)c1ccncc1 7a_100000746331_100015248511 [0,1,0,0,0,0|2,0,0]=3 1893 B16R1.64 O=C(COCCCCCCl)c1ccccc1 7a_100000746330_100000211460 [0,1,0,0,0,0|1,0,0]=2 1894 B16R1.64 O=C(COCCCCCCl)c1ccccn1 34a_100000746330_100000027445 [0,1,0,0,0,0|2,0,0]=3 1895 B16R1.64 O=C(COCCCCCCl)c1ccccn1 7a_100000746330_100000027445 [0,1,0,0,0,0|2,0,0]=3 1896 B16R1.64 O=C(COCCCCCCl)c1ccncc1 7a_100000746330_100015248511 [0,1,0,0,0,0|2,0,0]=3 1897 B16R1.64 O=C(COCCCCCI)c1ccccc1 7a_200012148887_100000211460 [0,1,0,0,0,0|1,0,0]=2 1898 B16R1.64 O=C(COCCCCCI)c1ccccn1 34a_200012148887_100000027445 [0,1,0,0,0,0|2,0,0]=3 1899 B16R1.64 O=C(COCCCCCI)c1ccccn1 7a_200012148887_100000027445 [0,1,0,0,0,0|2,0,0]=3 1900 B16R1.64 O=C(COCCCCCI)c1ccncc1 7a_200012148887_100015248511 [0,1,0,0,0,0|2,0,0]=3 1901 B16R1.64 O=C(COCCOCCBr)c1ccccc1 7a_100000692535_100000211460 [0,1,0,0,0,0|2,0,0]=3 1902 B16R1.64 O=C(COCCOCCBr)c1ccccn1 34a_100000692535_100000027445 [0,1,0,0,0,0|3,0,0]=4 1903 B16R1.64 O=C(COCCOCCBr)c1ccccn1 7a_100000692535_100000027445 [0,1,0,0,0,0|3,0,0]=4 1904 B16R1.64 O=C(COCCOCCBr)c1ccncc1 7a_100000692535_100015248511 [0,1,0,0,0,0|3,0,0]=4 1905 B16R1.64 O=C(COCCOCCCl)c1ccccc1 7a_100011215305_100000211460 [0,1,0,0,0,0|2,0,0]=3 1906 B16R1.64 O=C(COCCOCCCl)c1ccccn1 34a_100011215305_100000027445 [0,1,0,0,0,0|3,0,0]=4 1907 B16R1.64 O=C(COCCOCCCl)c1ccccn1 7a_100011215305_100000027445 [0,1,0,0,0,0|3,0,0]=4 1908 B16R1.64 O=C(COCCOCCCl)c1ccncc1 7a_100011215305_100015248511 [0,1,0,0,0,0|3,0,0]=4 1909 B16R1.64 O=C(COCCOCCF)c1ccccc1 7a_200015357709_100000211460 [0,1,0,0,0,0|2,0,0]=3 1910 B16R1.64 O=C(COCCOCCF)c1ccccn1 34a_200015357709_100000027445 [0,1,0,0,0,0|3,0,0]=4 1911 B16R1.64 O=C(COCCOCCF)c1ccccn1 7a_200015357709_100000027445 [0,1,0,0,0,0|3,0,0]=4 1912 B16R1.64 O=C(COCCOCCF)c1ccncc1 7a_200015357709_100015248511 [0,1,0,0,0,0|3,0,0]=4 1913 B16R1.64 O=C(COCCOCCI)c1ccccc1 7a_100012149058_100000211460 [0,1,0,0,0,0|2,0,0]=3 1914 B16R1.64 O=C(COCCOCCI)c1ccccn1 34a_100012149058_100000027445 [0,1,0,0,0,0|3,0,0]=4 1915 B16R1.64 O=C(COCCOCCI)c1ccccn1 7a_100012149058_100000027445 [0,1,0,0,0,0|3,0,0]=4 1916 B16R1.64 O=C(COCCOCCI)c1ccncc1 7a_100012149058_100015248511 [0,1,0,0,0,0|3,0,0]=4 1917 B16R1.64 O=C(CSCCCCCF)c1ccccc1 62a_100000211460_100000729378 [0,1,0,0,0,0|1,1,0]=3 1918 B16R1.64 O=C(CSCCCCCF)c1ccccc1 62a_100000729378_100000211460 [0,1,0,0,0,0|1,1,0]=3 1919 B16R1.64 O=C(CSCCCCCF)c1ccccn1 62a_100000027445_100000729378 [0,1,0,0,0,0|2,1,0]=4 1920 B16R1.64 O=C(CSCCCCCF)c1ccccn1 62a_100000729378_100000027445 [0,1,0,0,0,0|2,1,0]=4 1921 B16R1.64 O=C(CSCCCCCF)c1cccnc1 62a_100000729378_100000757877 [0,1,0,0,0,0|2,1,0]=4 1922 B16R1.64 O=C(CSCCCCCF)c1cccnc1 62a_100000757877_100000729378 [0,1,0,0,0,0|2,1,0]=4 1923 B16R1.64 O=C(CSCCCCCF)c1ccncc1 62a_100000027454_100000729378 [0,1,0,0,0,0|2,1,0]=4 1924 B16R1.64 O=C(CSCCCCCF)c1ccncc1 62a_100000729378_100000027454 [0,1,0,0,0,0|2,1,0]=4 1925 B16R1.64 O=C(CSCCCCCO)c1ccccc1 62a_100000211460_100000746330 [0,1,0,0,0,0|1,1,0]=3 1926 B16R1.64 O=C(CSCCCCCO)c1ccccc1 62a_100000746330_100000211460 [0,1,0,0,0,0|1,1,0]=3 1927 B16R1.64 O=C(CSCCCCCO)c1ccccn1 62a_100000027445_100000746330 [0,1,0,0,0,0|2,1,0]=4 1928 B16R1.64 O=C(CSCCCCCO)c1ccccn1 62a_100000746330_100000027445 [0,1,0,0,0,0|2,1,0]=4 1929 B16R1.64 O=C(CSCCCCCO)c1cccnc1 62a_100000746330_100000757877 [0,1,0,0,0,0|2,1,0]=4 1930 B16R1.64 O=C(CSCCCCCO)c1cccnc1 62a_100000757877_100000746330 [0,1,0,0,0,0|2,1,0]=4 1931 B16R1.64 O=C(CSCCCCCO)c1ccncc1 62a_100000027454_100000746330 [0,1,0,0,0,0|2,1,0]=4 1932 B16R1.64 O=C(CSCCCCCO)c1ccncc1 62a_100000746330_100000027454 [0,1,0,0,0,0|2,1,0]=4 1933 B16R1.64 O=C(CSCCOCCO)c1ccccc1 62a_100000211460_100011215305 [0,1,0,0,0,0|2,1,0]=4 1934 B16R1.64 O=C(CSCCOCCO)c1ccccc1 62a_100011215305_100000211460 [0,1,0,0,0,0|2,1,0]=4 1935 B16R1.64 O=C(NCCCCCCO)c1ccccc1 240690a_100000686447_100000185807 [0,1,0,0,0,0|1,0,0]=2 1936 B16R1.64 O=C(NCCCCCCO)c1ccccc1 527a_100000686447_100000185807 [0,1,0,0,0,0|1,0,0]=2 1937 B16R1.64 O=C(NCCNCCCF)c1ccccc1 2230a_100000736134_100011934791 [0,1,0,0,0,0|2,0,0]=3 1938 B16R1.64 O=C(NCCNCCCF)c1ccncc1 2230a_200011198449_100011934791 [0,1,0,0,0,0|3,0,0]=4 1939 B16R1.64 O=C(NCCNCCCO)c1ccccc1 2230a_100000736134_100000230001 [0,1,0,0,0,0|2,0,0]=3 1940 B16R1.64 O=C(NCCNCCCO)c1ccncc1 2230a_200011198449_100000230001 [0,1,0,0,0,0|3,0,0]=4 1941 B16R1.64 O=C(NCCOCCCF)c1ccccc1 34a_200000158897_100011934791 [0,1,0,0,0,0|2,0,0]=3 1942 B16R1.64 O=C(NCCOCCCF)c1ccccc1 7a_200000158897_100011934791 [0,1,0,0,0,0|2,0,0]=3 1943 B16R1.64 O=C(NCCOCCCO)c1ccccc1 34a_200000158897_100000230001 [0,1,0,0,0,0|2,0,0]=3 1944 B16R1.64 O=C(NCCOCCCO)c1ccccc1 7a_200000158897_100011215043 [0,1,0,0,0,0|2,0,0]=3 1945 B16R1.64 O=C(NCCSCCCF)c1ccccc1 62a_100011934791_200011215302 [0,1,0,0,0,0|2,0,0]=3 1946 B16R1.64 O=C(NCCSCCCF)c1ccccc1 62a_200011215302_100011934791 [0,1,0,0,0,0|2,0,0]=3 1947 B16R1.64 O=C(NCCSCCCO)c1ccccc1 62a_100011215043_200011215302 [0,1,0,0,0,0|2,0,0]=3 1948 B16R1.64 O=C(NCCSCCCO)c1ccccc1 62a_200011215302_100011215043 [0,1,0,0,0,0|2,0,0]=3 1949 B16R1.64 O=C(NN=CCCCCO)c1ccccc1 4a_100000184135_100000031955 [0,1,0,0,0,0|2,0,1]=4 1950 B16R1.64 O=C(OCCCCSCF)c1ccccc1 62a_100000039408_100015361967 [0,1,0,0,0,0|1,0,0]=2 1951 B16R1.64 O=C(OCCCCSCF)c1ccccc1 62a_100015361967_100000039408 [0,1,0,0,0,0|1,0,0]=2 1952 B16R1.64 O=C(OCCCNCCF)c1ccccc1 34a_100000724931_200009892979 [0,1,0,0,0,0|1,0,0]=2 1953 B16R1.64 O=C(OCCCNCCO)c1ccccc1 34a_100016990907_200009892979 [0,1,0,0,0,0|1,0,0]=2 1954 B16R1.64 O=C(OCCCOCCBr)c1ccccc1 34a_100000211926_200009892979 [0,1,0,0,0,0|1,0,0]=2 1955 B16R1.64 O=C(OCCCSCCF)c1ccccc1 62a_100011217306_200009892979 [0,1,0,0,0,0|1,0,0]=2 1956 B16R1.64 O=C(OCCCSCCF)c1ccccc1 62a_200009892979_100011217306 [0,1,0,0,0,0|1,0,0]=2 1957 B16R1.64 O=C(OCCCSCCO)c1ccccc1 62a_100000211926_200009892979 [0,1,0,0,0,0|1,0,0]=2 1958 B16R1.64 O=C(OCCCSCCO)c1ccccc1 62a_200009892979_100000211926 [0,1,0,0,0,0|1,0,0]=2 1959 B16R1.64 O=C(OCCNCCCF)c1ccccc1 34a_100015189416_100009812718 [0,1,0,0,0,0|1,0,0]=2 1960 B16R1.64 O=C(OCCOCCCBr)c1ccccc1 34a_100011217188_100009812718 [0,1,0,0,0,0|1,0,0]=2 1961 B16R1.64 O=C(OCCOCCCCl)c1ccccc1 34a_100000230001_100009812718 [0,1,0,0,0,0|1,0,0]=2 1962 B16R1.64 O=C(OCCOCCCF)c1ccccc1 34a_100000759539_100009812718 [0,1,0,0,0,0|1,0,0]=2 1963 B16R1.64 O=C(OCCOCCCF)c1ccccc1 7a_100000025465_100011934791 [0,1,0,0,0,0|1,0,0]=2 1964 B16R1.64 O=C(OCCOCCCO)c1ccccc1 7a_100000025465_100011215043 [0,1,0,0,0,0|1,0,0]=2 1965 B16R1.64 O=C(OCCSCCCF)c1ccccc1 62a_100009812718_100011934791 [0,1,0,0,0,0|1,0,0]=2 1966 B16R1.64 O=C(OCCSCCCF)c1ccccc1 62a_100011934791_100009812718 [0,1,0,0,0,0|1,0,0]=2 1967 B16R1.64 O=C(OCCSCCCO)c1ccccc1 62a_100009812718_100011215043 [0,1,0,0,0,0|1,0,0]=2 1968 B16R1.64 O=C(OCCSCCCO)c1ccccc1 62a_100011215043_100009812718 [0,1,0,0,0,0|1,0,0]=2 1969 B16R1.64 O=C(OCOCCCCCl)c1ccccc1 7a_100000210776_100000073877 [0,1,0,0,0,0|1,0,0]=2 1970 B16R1.64 O=C(OCOCCCCF)c1ccccc1 7a_100011995726_100000073877 [0,1,0,0,0,0|1,0,0]=2 1971 B16R1.64 O=C(OCSCC#CCO)c1ccccc1 62a_100000073877_200000047223 [0,1,0,0,0,0|1,0,2]=4 1972 B16R1.64 O=C(OCSCC#CCO)c1ccccc1 62a_200000047223_100000073877 [0,1,0,0,0,0|1,0,2]=4 1973 B16R1.64 O=C(OCSCCCCF)c1ccccc1 62a_100000073877_100000729493 [0,1,0,0,0,0|1,0,0]=2 1974 B16R1.64 O=C(OCSCCCCF)c1ccccc1 62a_100000729493_100000073877 [0,1,0,0,0,0|1,0,0]=2 1975 B16R1.64 O=C(OCSCCCCO)c1ccccc1 62a_100000073877_100000210776 [0,1,0,0,0,0|1,0,0]=2 1976 B16R1.64 O=C(OCSCCCCO)c1ccccc1 62a_100000210776_100000073877 [0,1,0,0,0,0|1,0,0]=2 1977 B16R1.64 O=CCCCCSCC(=O)c1ccccc1 62a_100000139335_100000211460 [0,1,0,0,0,0|1,1,1]=4 1978 B16R1.64 O=CCCCCSCC(=O)c1ccccc1 62a_100000211460_100000139335 [0,1,0,0,0,0|1,1,1]=4 1979 B16R1.64 O=CCCCSCCC(=O)c1ccccc1 62a_100000750707_200011292268 [0,1,0,0,0,0|2,0,1]=4 1980 B16R1.64 O=CCCCSCCC(=O)c1ccccc1 62a_200011292268_100000750707 [0,1,0,0,0,0|2,0,1]=4 1981 B16R1.64 O=CCCCSCOC(=O)c1ccccc1 62a_100000073877_200011292268 [0,1,0,0,0,0|1,0,1]=3 1982 B16R1.64 O=CCCCSCOC(=O)c1ccccc1 62a_200011292268_100000073877 [0,1,0,0,0,0|1,0,1]=3 1983 B16R1.64 O=CCSCCCOC(=O)c1ccccc1 62a_200009892979_200015260668 [0,1,0,0,0,0|1,0,1]=3 1984 B16R1.64 O=CCSCCCOC(=O)c1ccccc1 62a_200015260668_200009892979 [0,1,0,0,0,0|1,0,1]=3 1985 B16R1.64 O=S(CCNCCCCO)c1ccccc1 2230a_100000750430_100000740319 [0,1,0,0,0,0|3,0,0]=4 1986 B16R1.64 O=S(CCOCCCCCl)c1ccccc1 7a_100000210776_100000740319 [0,1,0,0,0,0|3,0,0]=4 1987 B16R1.64 O=S(CCOCCCCF)c1ccccc1 7a_100011995726_100000740319 [0,1,0,0,0,0|3,0,0]=4 1988 B16R1.64 O=S(CCSCCCCF)c1ccccc1 62a_100000729493_100000740319 [0,1,0,0,0,0|3,0,0]=4 1989 B16R1.64 O=S(CCSCCCCO)c1ccccc1 62a_100000210776_100000740319 [0,1,0,0,0,0|3,0,0]=4 1990 B16R1.64 O=S(CSCCCCCF)c1ccccc1 62a_100000729378_100000031784 [0,1,0,0,0,0|2,1,0]=4 1991 B16R1.64 O=S(CSCCCCCO)c1ccccc1 62a_100000746330_100000031784 [0,1,0,0,0,0|2,1,0]=4 1992 B16R1.64 OC(COCCCCCBr)c1ccccc1 34a_100000746331_100000185958 [0,1,0,0,0,0|1,0,2]=4 1993 B16R1.64 OC(COCCCCCBr)c1ccccc1 7a_100000746331_100000185958 [0,1,0,0,0,0|1,0,2]=4 1994 B16R1.64 OC(COCCCCCCl)c1ccccc1 34a_100000746330_100000185958 [0,1,0,0,0,0|1,0,2]=4 1995 B16R1.64 OC(COCCCCCCl)c1ccccc1 7a_100000746330_100000185958 [0,1,0,0,0,0|1,0,2]=4 1996 B16R1.64 OC(COCCCCCI)c1ccccc1 34a_200012148887_100000185958 [0,1,0,0,0,0|1,0,2]=4 1997 B16R1.64 OC(COCCCCCI)c1ccccc1 7a_200012148887_100000185958 [0,1,0,0,0,0|1,0,2]=4 1998 B16R1.64 O[C@H](COCCCCCBr)c1ccccc1 34a_100000746331_100011933945 [0,1,0,0,0,0|1,0,2]=4 1999 B16R1.64 O[C@H](COCCCCCBr)c1ccccc1 7a_100000746331_100011933945 [0,1,0,0,0,0|1,0,2]=4 2000 B16R1.64 O[C@H](COCCCCCCl)c1ccccc1 34a_100000746330_100011933945 [0,1,0,0,0,0|1,0,2]=4 2001 B16R1.64 O[C@H](COCCCCCCl)c1ccccc1 7a_100000746330_100011933945 [0,1,0,0,0,0|1,0,2]=4 2002 B16R1.64 O[C@H](COCCCCCI)c1ccccc1 34a_200012148887_100011933945 [0,1,0,0,0,0|1,0,2]=4 2003 B16R1.64 O[C@H](COCCCCCI)c1ccccc1 7a_200012148887_100011933945 [0,1,0,0,0,0|1,0,2]=4 2004 B16R1.64 [N-]=[N+]=NCCCCNC(=O)c1ccccc1 11a_100000101370_100000185807 [0,1,0,0,0,0|3,0,0]=4 2005 B16R1.64 [N-]=[N+]=NCCCCNC(=O)c1ccccc1 240690a_100000101370_100000185807 [0,1,0,0,0,0|3,0,0]=4 2006 B16R1.91 C#CCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012094781 [0,1,0,0,0,0|1,0,2]=4 2007 B16R1.91 C#CCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100012094781 [0,1,0,0,0,0|1,0,2]=4 2008 B16R1.91 C#CCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012094781 [0,1,0,0,0,0|1,0,2]=4 2009 B16R1.91 C#CCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100012094781 [0,1,0,0,0,0|1,0,2]=4 2010 B16R1.91 C#CCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100012094781 [0,1,0,0,0,0|1,0,2]=4 2011 B16R1.91 C#CCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100012094781 [0,1,0,0,0,0|1,0,2]=4 2012 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Br 11a_100000706060_100000185839 [0,1,0,0,0,0|1,0,2]=4 2013 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Br 1626a_100000706060_100000185839 [0,1,0,0,0,0|1,0,2]=4 2014 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Br 240690a_100000706060_100000185839 [0,1,0,0,0,0|1,0,2]=4 2015 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Br 527a_100000706060_100000185839 [0,1,0,0,0,0|1,0,2]=4 2016 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)C 11a_100000706060_100000188618 [0,1,0,0,0,0|1,0,2]=4 2017 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)C 1626a_100000706060_100000188618 [0,1,0,0,0,0|1,0,2]=4 2018 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)C 240690a_100000706060_100000188618 [0,1,0,0,0,0|1,0,2]=4 2019 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)C 527a_100000706060_100000188618 [0,1,0,0,0,0|1,0,2]=4 2020 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Cl 11a_100000706060_100000210187 [0,1,0,0,0,0|1,0,2]=4 2021 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000706060_100000210187 [0,1,0,0,0,0|1,0,2]=4 2022 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000706060_100000210187 [0,1,0,0,0,0|1,0,2]=4 2023 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)Cl 527a_100000706060_100000210187 [0,1,0,0,0,0|1,0,2]=4 2024 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)F 11a_100000706060_100000187176 [0,1,0,0,0,0|1,0,2]=4 2025 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)F 1626a_100000706060_100000187176 [0,1,0,0,0,0|1,0,2]=4 2026 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)F 240690a_100000706060_100000187176 [0,1,0,0,0,0|1,0,2]=4 2027 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)F 527a_100000706060_100000187176 [0,1,0,0,0,0|1,0,2]=4 2028 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)I 11a_100000706060_100000187904 [0,1,0,0,0,0|1,0,2]=4 2029 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)I 1626a_100000706060_100000187904 [0,1,0,0,0,0|1,0,2]=4 2030 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)I 240690a_100000706060_100000187904 [0,1,0,0,0,0|1,0,2]=4 2031 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)I 527a_100000706060_100000187904 [0,1,0,0,0,0|1,0,2]=4 2032 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)O 240690a_100000706060_100000212099 [0,1,0,0,0,0|1,0,2]=4 2033 B16R1.91 C#CCCCCNC(=O)c1ccc(cc1)O 527a_100000706060_100000212099 [0,1,0,0,0,0|1,0,2]=4 2034 B16R1.91 C#CCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000038162 [0,1,0,0,0,0|1,0,2]=4 2035 B16R1.91 C=CCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000700193 [0,1,0,0,0,0|1,0,2]=4 2036 B16R1.91 C=CCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000700193 [0,1,0,0,0,0|1,0,2]=4 2037 B16R1.91 C=CCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000700193 [0,1,0,0,0,0|1,0,2]=4 2038 B16R1.91 C=CCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000700193 [0,1,0,0,0,0|1,0,2]=4 2039 B16R1.91 C=CCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000700193 [0,1,0,0,0,0|1,0,2]=4 2040 B16R1.91 C=CCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000700193 [0,1,0,0,0,0|1,0,2]=4 2041 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Br 11a_100000703577_100000185839 [0,1,0,0,0,0|1,0,2]=4 2042 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Br 1626a_100000703577_100000185839 [0,1,0,0,0,0|1,0,2]=4 2043 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Br 240690a_100000703577_100000185839 [0,1,0,0,0,0|1,0,2]=4 2044 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Br 527a_100000703577_100000185839 [0,1,0,0,0,0|1,0,2]=4 2045 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)C 11a_100000703577_100000188618 [0,1,0,0,0,0|1,0,2]=4 2046 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)C 1626a_100000703577_100000188618 [0,1,0,0,0,0|1,0,2]=4 2047 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)C 240690a_100000703577_100000188618 [0,1,0,0,0,0|1,0,2]=4 2048 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)C 527a_100000703577_100000188618 [0,1,0,0,0,0|1,0,2]=4 2049 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Cl 11a_100000703577_100000210187 [0,1,0,0,0,0|1,0,2]=4 2050 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000703577_100000210187 [0,1,0,0,0,0|1,0,2]=4 2051 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000703577_100000210187 [0,1,0,0,0,0|1,0,2]=4 2052 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)Cl 527a_100000703577_100000210187 [0,1,0,0,0,0|1,0,2]=4 2053 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)F 11a_100000703577_100000187176 [0,1,0,0,0,0|1,0,2]=4 2054 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)F 1626a_100000703577_100000187176 [0,1,0,0,0,0|1,0,2]=4 2055 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)F 240690a_100000703577_100000187176 [0,1,0,0,0,0|1,0,2]=4 2056 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)F 527a_100000703577_100000187176 [0,1,0,0,0,0|1,0,2]=4 2057 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)I 11a_100000703577_100000187904 [0,1,0,0,0,0|1,0,2]=4 2058 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)I 1626a_100000703577_100000187904 [0,1,0,0,0,0|1,0,2]=4 2059 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)I 240690a_100000703577_100000187904 [0,1,0,0,0,0|1,0,2]=4 2060 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)I 527a_100000703577_100000187904 [0,1,0,0,0,0|1,0,2]=4 2061 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)O 240690a_100000703577_100000212099 [0,1,0,0,0,0|1,0,2]=4 2062 B16R1.91 C=CCCCCNC(=O)c1ccc(cc1)O 527a_100000703577_100000212099 [0,1,0,0,0,0|1,0,2]=4 2063 B16R1.91 C=CCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100015514636 [0,1,0,0,0,0|1,0,2]=4 2064 B16R1.91 CC(OCCCCCBr)c1ccc(cc1)Br 34a_100000746331_100000755118 [0,1,0,0,0,0|2,0,1]=4 2065 B16R1.91 CC(OCCCCCBr)c1ccc(cc1)Cl 7a_100000746331_100000684792 [0,1,0,0,0,0|2,0,1]=4 2066 B16R1.91 CC(OCCCCCBr)c1ccc(cc1)F 34a_100000746331_100000743420 [0,1,0,0,0,0|2,0,1]=4 2067 B16R1.91 CC(OCCCCCBr)c1ccc(cc1)F 7a_100000746331_100000743420 [0,1,0,0,0,0|2,0,1]=4 2068 B16R1.91 CC(OCCCCCCl)c1ccc(cc1)Br 34a_100000746330_100000755118 [0,1,0,0,0,0|2,0,1]=4 2069 B16R1.91 CC(OCCCCCCl)c1ccc(cc1)Cl 7a_100000746330_100000684792 [0,1,0,0,0,0|2,0,1]=4 2070 B16R1.91 CC(OCCCCCCl)c1ccc(cc1)F 34a_100000746330_100000743420 [0,1,0,0,0,0|2,0,1]=4 2071 B16R1.91 CC(OCCCCCCl)c1ccc(cc1)F 7a_100000746330_100000743420 [0,1,0,0,0,0|2,0,1]=4 2072 B16R1.91 CC(OCCCCCF)c1ccc(cc1)Br 34a_100000745893_100000729378 [0,1,0,0,0,0|2,0,1]=4 2073 B16R1.91 CC(OCCCCCF)c1ccc(cc1)Br 7a_100000745893_100000729378 [0,1,0,0,0,0|2,0,1]=4 2074 B16R1.91 CC(OCCCCCF)c1ccc(cc1)F 34a_100000181323_100000729378 [0,1,0,0,0,0|2,0,1]=4 2075 B16R1.91 CC(OCCCCCF)c1ccc(cc1)F 7a_100000181323_100000729378 [0,1,0,0,0,0|2,0,1]=4 2076 B16R1.91 CC(OCCCCCF)c1ccc(cc1)N 34a_100011216399_100000729378 [0,1,0,0,0,0|2,0,1]=4 2077 B16R1.91 CC(OCCCCCI)c1ccc(cc1)Br 34a_200012148887_100000755118 [0,1,0,0,0,0|2,0,1]=4 2078 B16R1.91 CC(OCCCCCI)c1ccc(cc1)Cl 7a_200012148887_100000684792 [0,1,0,0,0,0|2,0,1]=4 2079 B16R1.91 CC(OCCCCCI)c1ccc(cc1)F 34a_200012148887_100000743420 [0,1,0,0,0,0|2,0,1]=4 2080 B16R1.91 CC(OCCCCCI)c1ccc(cc1)F 7a_200012148887_100000743420 [0,1,0,0,0,0|2,0,1]=4 2081 B16R1.91 CC(OCCCCCN)c1ccc(cc1)Br 34a_100000762737_100000755118 [0,1,0,0,0,0|2,0,1]=4 2082 B16R1.91 CC(OCCCCCN)c1ccc(cc1)F 34a_100000762737_100000743420 [0,1,0,0,0,0|2,0,1]=4 2083 B16R1.91 CC(OCCCCCO)c1ccc(cc1)Br 34a_100000745893_100000746330 [0,1,0,0,0,0|2,0,1]=4 2084 B16R1.91 CC(OCCCCCO)c1ccc(cc1)Br 7a_100000745893_100000746330 [0,1,0,0,0,0|2,0,1]=4 2085 B16R1.91 CC(OCCCCCO)c1ccc(cc1)F 34a_100000181323_100000746330 [0,1,0,0,0,0|2,0,1]=4 2086 B16R1.91 CC(OCCCCCO)c1ccc(cc1)F 7a_100000181323_100000746330 [0,1,0,0,0,0|2,0,1]=4 2087 B16R1.91 CC(OCCCCCO)c1ccc(cc1)N 34a_100011216399_100000746330 [0,1,0,0,0,0|2,0,1]=4 2088 B16R1.91 CCCCC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000210104 [0,1,0,0,0,0|2,0,1]=4 2089 B16R1.91 CCCCC=NNC(=O)c1ccc(cc1)C 4a_100000189790_100000210104 [0,1,0,0,0,0|2,0,1]=4 2090 B16R1.91 CCCCC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000210104 [0,1,0,0,0,0|2,0,1]=4 2091 B16R1.91 CCCCC=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000210104 [0,1,0,0,0,0|2,0,1]=4 2092 B16R1.91 CCCCC=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000210104 [0,1,0,0,0,0|2,0,1]=4 2093 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210614 [0,1,0,0,0,0|1,0,0]=2 2094 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210614 [0,1,0,0,0,0|1,0,0]=2 2095 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210614 [0,1,0,0,0,0|1,0,0]=2 2096 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210614 [0,1,0,0,0,0|1,0,0]=2 2097 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210614 [0,1,0,0,0,0|1,0,0]=2 2098 B16R1.91 CCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210614 [0,1,0,0,0,0|1,0,0]=2 2099 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210681 [0,1,0,0,0,0|3,0,0]=4 2100 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210681 [0,1,0,0,0,0|3,0,0]=4 2101 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210614 [0,1,0,0,0,0|3,0,0]=4 2102 B16R1.91 CCCCCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210681 [0,1,0,0,0,0|3,0,0]=4 2103 B16R1.91 CCCCCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210681 [0,1,0,0,0,0|3,0,0]=4 2104 B16R1.91 CCCCCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210614 [0,1,0,0,0,0|3,0,0]=4 2105 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210681 [0,1,0,0,0,0|3,0,0]=4 2106 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210681 [0,1,0,0,0,0|3,0,0]=4 2107 B16R1.91 CCCCCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210614 [0,1,0,0,0,0|3,0,0]=4 2108 B16R1.91 CCCCCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210681 [0,1,0,0,0,0|3,0,0]=4 2109 B16R1.91 CCCCCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210681 [0,1,0,0,0,0|3,0,0]=4 2110 B16R1.91 CCCCCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210614 [0,1,0,0,0,0|3,0,0]=4 2111 B16R1.91 CCCCCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210681 [0,1,0,0,0,0|3,0,0]=4 2112 B16R1.91 CCCCCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210681 [0,1,0,0,0,0|3,0,0]=4 2113 B16R1.91 CCCCCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210614 [0,1,0,0,0,0|3,0,0]=4 2114 B16R1.91 CCCCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210681 [0,1,0,0,0,0|3,0,0]=4 2115 B16R1.91 CCCCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210614 [0,1,0,0,0,0|3,0,0]=4 2116 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Br 11a_100000210581_100000185839 [0,1,0,0,0,0|1,0,0]=2 2117 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Br 1626a_100000210581_100000185839 [0,1,0,0,0,0|1,0,0]=2 2118 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Br 240690a_100000210581_100000185839 [0,1,0,0,0,0|1,0,0]=2 2119 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Br 527a_100000210581_100000185839 [0,1,0,0,0,0|1,0,0]=2 2120 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)C 11a_100000210581_100000188618 [0,1,0,0,0,0|1,0,0]=2 2121 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)C 1626a_100000210581_100000188618 [0,1,0,0,0,0|1,0,0]=2 2122 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)C 240690a_100000210581_100000188618 [0,1,0,0,0,0|1,0,0]=2 2123 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)C 527a_100000210581_100000188618 [0,1,0,0,0,0|1,0,0]=2 2124 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Cl 11a_100000210581_100000210187 [0,1,0,0,0,0|1,0,0]=2 2125 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000210581_100000210187 [0,1,0,0,0,0|1,0,0]=2 2126 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000210581_100000210187 [0,1,0,0,0,0|1,0,0]=2 2127 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)Cl 527a_100000210581_100000210187 [0,1,0,0,0,0|1,0,0]=2 2128 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)F 11a_100000210581_100000187176 [0,1,0,0,0,0|1,0,0]=2 2129 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)F 1626a_100000210581_100000187176 [0,1,0,0,0,0|1,0,0]=2 2130 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)F 240690a_100000210581_100000187176 [0,1,0,0,0,0|1,0,0]=2 2131 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)F 527a_100000210581_100000187176 [0,1,0,0,0,0|1,0,0]=2 2132 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)I 11a_100000210581_100000187904 [0,1,0,0,0,0|1,0,0]=2 2133 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)I 1626a_100000210581_100000187904 [0,1,0,0,0,0|1,0,0]=2 2134 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)I 240690a_100000210581_100000187904 [0,1,0,0,0,0|1,0,0]=2 2135 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)I 527a_100000210581_100000187904 [0,1,0,0,0,0|1,0,0]=2 2136 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)O 240690a_100000210581_100000212099 [0,1,0,0,0,0|1,0,0]=2 2137 B16R1.91 CCCCCCNC(=O)c1ccc(cc1)O 527a_100000210581_100000212099 [0,1,0,0,0,0|1,0,0]=2 2138 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Br 2230a_100000210581_100000755118 [0,1,0,0,0,0|2,0,1]=4 2139 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Br 269862a_100000210581_100000185794 [0,1,0,0,0,0|2,0,1]=4 2140 B16R1.91 CCCCCCNC(C)c1ccc(cc1)C 2230a_100000210581_100011261388 [0,1,0,0,0,0|2,0,1]=4 2141 B16R1.91 CCCCCCNC(C)c1ccc(cc1)C 269862a_100000210581_100000185793 [0,1,0,0,0,0|2,0,1]=4 2142 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Cl 2230a_100000210581_100000684792 [0,1,0,0,0,0|2,0,1]=4 2143 B16R1.91 CCCCCCNC(C)c1ccc(cc1)Cl 269862a_100000210581_100000185797 [0,1,0,0,0,0|2,0,1]=4 2144 B16R1.91 CCCCCCNC(C)c1ccc(cc1)F 2230a_100000210581_100000743420 [0,1,0,0,0,0|2,0,1]=4 2145 B16R1.91 CCCCCCNC(C)c1ccc(cc1)F 269862a_100000210581_100000185800 [0,1,0,0,0,0|2,0,1]=4 2146 B16R1.91 CCCCCCNC(C)c1ccc(cc1)I 269862a_100000210581_100000185465 [0,1,0,0,0,0|2,0,1]=4 2147 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210314 [0,1,0,0,0,0|2,0,1]=4 2148 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210314 [0,1,0,0,0,0|2,0,1]=4 2149 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210314 [0,1,0,0,0,0|2,0,1]=4 2150 B16R1.91 CCCCCCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210314 [0,1,0,0,0,0|2,0,1]=4 2151 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210314 [0,1,0,0,0,0|2,0,1]=4 2152 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210314 [0,1,0,0,0,0|2,0,1]=4 2153 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210314 [0,1,0,0,0,0|2,0,1]=4 2154 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210314 [0,1,0,0,0,0|2,0,1]=4 2155 B16R1.91 CCCCCCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210314 [0,1,0,0,0,0|2,0,1]=4 2156 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Br 34a_100000210259_100000755118 [0,1,0,0,0,0|1,0,1]=3 2157 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210314 [0,1,0,0,0,0|1,0,1]=3 2158 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210314 [0,1,0,0,0,0|1,0,1]=3 2159 B16R1.91 CCCCCCOC(C)c1ccc(cc1)C 34a_100000210259_100011261388 [0,1,0,0,0,0|1,0,1]=3 2160 B16R1.91 CCCCCCOC(C)c1ccc(cc1)C 7a_100000210259_100011261388 [0,1,0,0,0,0|1,0,1]=3 2161 B16R1.91 CCCCCCOC(C)c1ccc(cc1)Cl 7a_100000210259_100000684792 [0,1,0,0,0,0|1,0,1]=3 2162 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210314 [0,1,0,0,0,0|1,0,1]=3 2163 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 34a_100000210259_100000743420 [0,1,0,0,0,0|1,0,1]=3 2164 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210314 [0,1,0,0,0,0|1,0,1]=3 2165 B16R1.91 CCCCCCOC(C)c1ccc(cc1)F 7a_100000210259_100000743420 [0,1,0,0,0,0|1,0,1]=3 2166 B16R1.91 CCCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210314 [0,1,0,0,0,0|1,0,1]=3 2167 B16R1.91 CCCCCCOC(C)c1ccc(cn1)Br 34a_100012353650_100000210314 [0,1,0,0,0,0|2,0,1]=4 2168 B16R1.91 CCCCCCOC(C)c1ccc(cn1)Br 7a_100012353650_100000210314 [0,1,0,0,0,0|2,0,1]=4 2169 B16R1.91 CCCCCCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210314 [0,1,0,0,0,0|2,0,1]=4 2170 B16R1.91 CCCCCCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210314 [0,1,0,0,0,0|2,0,1]=4 2171 B16R1.91 CCCCCCOC(C)c1ccc(nc1)C 34a_200011815720_100000210314 [0,1,0,0,0,0|2,0,1]=4 2172 B16R1.91 CCCCCCOC(C)c1ccc(nc1)C 7a_200011815720_100000210314 [0,1,0,0,0,0|2,0,1]=4 2173 B16R1.91 CCCCCCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210314 [0,1,0,0,0,0|2,0,1]=4 2174 B16R1.91 CCCCCCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210314 [0,1,0,0,0,0|2,0,1]=4 2175 B16R1.91 CCCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210314 [0,1,0,0,0,0|1,0,1]=3 2176 B16R1.91 CCCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210314 [0,1,0,0,0,0|1,0,1]=3 2177 B16R1.91 CCCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210314 [0,1,0,0,0,0|1,0,1]=3 2178 B16R1.91 CCCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210314 [0,1,0,0,0,0|1,0,1]=3 2179 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Br 62a_100000210314_100000755118 [0,1,0,0,0,0|1,1,1]=4 2180 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210757 [0,1,0,0,0,0|1,1,1]=4 2181 B16R1.91 CCCCCCSC(C)c1ccc(cc1)C 62a_100000210314_100011261388 [0,1,0,0,0,0|1,1,1]=4 2182 B16R1.91 CCCCCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210757 [0,1,0,0,0,0|1,1,1]=4 2183 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Cl 62a_100000210314_100000684792 [0,1,0,0,0,0|1,1,1]=4 2184 B16R1.91 CCCCCCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210757 [0,1,0,0,0,0|1,1,1]=4 2185 B16R1.91 CCCCCCSC(C)c1ccc(cc1)F 62a_100000210314_100000743420 [0,1,0,0,0,0|1,1,1]=4 2186 B16R1.91 CCCCCCSC(C)c1ccc(cc1)F 62a_100000743420_100000210757 [0,1,0,0,0,0|1,1,1]=4 2187 B16R1.91 CCCCCNCC(=O)c1ccc(cc1)C 2230a_100000209983_100000211441 [0,1,0,0,0,0|2,0,0]=3 2188 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)Br 4a_100000694160_100000185794 [0,1,0,0,0,0|3,0,0]=4 2189 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)C 4a_100000694160_100000185793 [0,1,0,0,0,0|3,0,0]=4 2190 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)Cl 4a_100000694160_100000185797 [0,1,0,0,0,0|3,0,0]=4 2191 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)F 4a_100000694160_100000185800 [0,1,0,0,0,0|3,0,0]=4 2192 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)I 4a_100000694160_100000185465 [0,1,0,0,0,0|3,0,0]=4 2193 B16R1.91 CCCCCNN=C(C)c1ccc(cc1)O 4a_100000694160_100000185113 [0,1,0,0,0,0|3,0,0]=4 2194 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)Br 22a_100000694160_100000185839 [0,1,0,0,0,0|2,0,0]=3 2195 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)C 22a_100000694160_100000188618 [0,1,0,0,0,0|2,0,0]=3 2196 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)Cl 22a_100000694160_100000210187 [0,1,0,0,0,0|2,0,0]=3 2197 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)F 22a_100000694160_100000187176 [0,1,0,0,0,0|2,0,0]=3 2198 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)I 22a_100000694160_100000187904 [0,1,0,0,0,0|2,0,0]=3 2199 B16R1.91 CCCCCNNC(=O)c1ccc(cc1)O 22a_100000694160_100000212099 [0,1,0,0,0,0|2,0,0]=3 2200 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)Br 34a_100000210253_100000188085 [0,1,0,0,0,0|2,0,0]=3 2201 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)Br 7a_100000210253_100000188085 [0,1,0,0,0,0|2,0,0]=3 2202 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)C 34a_100000210253_100000211441 [0,1,0,0,0,0|2,0,0]=3 2203 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)C 7a_100000210253_100000211441 [0,1,0,0,0,0|2,0,0]=3 2204 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)Cl 7a_100000210253_100000211071 [0,1,0,0,0,0|2,0,0]=3 2205 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000718602 [0,1,0,0,0,0|2,0,0]=3 2206 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)F 7a_100000210253_100000211279 [0,1,0,0,0,0|2,0,0]=3 2207 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)I 34a_100000210253_100011216261 [0,1,0,0,0,0|2,0,0]=3 2208 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)I 7a_100000210253_100011216261 [0,1,0,0,0,0|2,0,0]=3 2209 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)O 34a_100000210253_100009814261 [0,1,0,0,0,0|2,0,0]=3 2210 B16R1.91 CCCCCOCC(=O)c1ccc(cc1)O 7a_100000210253_100000018856 [0,1,0,0,0,0|2,0,0]=3 2211 B16R1.91 CCCCCOCC(=O)c1ccc(cn1)Cl 7a_100000210253_100016989621 [0,1,0,0,0,0|3,0,0]=4 2212 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210326 [0,1,0,0,0,0|2,0,0]=3 2213 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)C 62a_100000210326_100000211441 [0,1,0,0,0,0|2,0,0]=3 2214 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210326 [0,1,0,0,0,0|2,0,0]=3 2215 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)Cl 62a_100000210326_100000211071 [0,1,0,0,0,0|2,0,0]=3 2216 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210326 [0,1,0,0,0,0|2,0,0]=3 2217 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)F 62a_100000210326_100000211279 [0,1,0,0,0,0|2,0,0]=3 2218 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210326 [0,1,0,0,0,0|2,0,0]=3 2219 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)I 62a_100000210326_100011216261 [0,1,0,0,0,0|2,0,0]=3 2220 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210326 [0,1,0,0,0,0|2,0,0]=3 2221 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)O 62a_100000210326_100009814261 [0,1,0,0,0,0|2,0,0]=3 2222 B16R1.91 CCCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210326 [0,1,0,0,0,0|2,0,0]=3 2223 B16R1.91 CCCCCSCC(=O)c1ccc(cn1)Cl 62a_100000210326_100016989621 [0,1,0,0,0,0|3,0,0]=4 2224 B16R1.91 CCCCCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210326 [0,1,0,0,0,0|3,0,0]=4 2225 B16R1.91 CCCCCSCC(=O)c1ccc(nc1)C 62a_100000210326_100012027583 [0,1,0,0,0,0|3,0,0]=4 2226 B16R1.91 CCCCCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210326 [0,1,0,0,0,0|3,0,0]=4 2227 B16R1.91 CCCCCSCC(=O)c1ccc(nc1)Cl 62a_100000210326_100009864725 [0,1,0,0,0,0|3,0,0]=4 2228 B16R1.91 CCCCCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210326 [0,1,0,0,0,0|3,0,0]=4 2229 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)Br 7a_106832991798_100011215963 [0,1,0,0,0,0|2,0,0]=3 2230 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)C 2230a_100000102301_100000701375 [0,1,0,0,0,0|2,0,0]=3 2231 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)C 7a_106832991798_100000701375 [0,1,0,0,0,0|2,0,0]=3 2232 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)Cl 7a_106832991798_100011216492 [0,1,0,0,0,0|2,0,0]=3 2233 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)F 2230a_100000102301_100000211231 [0,1,0,0,0,0|2,0,0]=3 2234 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)F 7a_106832991798_100000211231 [0,1,0,0,0,0|2,0,0]=3 2235 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)O 2230a_100000102301_100009879949 [0,1,0,0,0,0|2,0,0]=3 2236 B16R1.91 CCCCNCCC(=O)c1ccc(cc1)O 7a_106832991798_100009879949 [0,1,0,0,0,0|2,0,0]=3 2237 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000743108 [0,1,0,0,0,0|2,0,0]=3 2238 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)Br 7a_100000210227_100011215963 [0,1,0,0,0,0|2,0,0]=3 2239 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000743108 [0,1,0,0,0,0|2,0,0]=3 2240 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)C 7a_100000210227_100000701375 [0,1,0,0,0,0|2,0,0]=3 2241 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000743108 [0,1,0,0,0,0|2,0,0]=3 2242 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)Cl 7a_100000210227_100011216492 [0,1,0,0,0,0|2,0,0]=3 2243 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000743108 [0,1,0,0,0,0|2,0,0]=3 2244 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)F 7a_100000210227_100000211231 [0,1,0,0,0,0|2,0,0]=3 2245 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000743108 [0,1,0,0,0,0|2,0,0]=3 2246 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000743108 [0,1,0,0,0,0|2,0,0]=3 2247 B16R1.91 CCCCOCCC(=O)c1ccc(cc1)O 7a_100000210227_100009879949 [0,1,0,0,0,0|2,0,0]=3 2248 B16R1.91 CCCCOCOC(C)c1ccc(cc1)Br 34a_100000745893_100011995733 [0,1,0,0,0,0|2,0,1]=4 2249 B16R1.91 CCCCOCOC(C)c1ccc(cc1)F 34a_100000181323_100011995733 [0,1,0,0,0,0|2,0,1]=4 2250 B16R1.91 CCCCOCOC(C)c1ccc(cc1)N 34a_100011216399_100011995733 [0,1,0,0,0,0|2,0,1]=4 2251 B16R1.91 CCCCOCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011995733 [0,1,0,0,0,0|2,0,1]=4 2252 B16R1.91 CCCCOCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011995733 [0,1,0,0,0,0|2,0,1]=4 2253 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)Br 62a_100000210211_100011215963 [0,1,0,0,0,0|2,0,0]=3 2254 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210210 [0,1,0,0,0,0|2,0,0]=3 2255 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)C 62a_100000210211_100000701375 [0,1,0,0,0,0|2,0,0]=3 2256 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210210 [0,1,0,0,0,0|2,0,0]=3 2257 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)Cl 62a_100000210211_100011216492 [0,1,0,0,0,0|2,0,0]=3 2258 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210210 [0,1,0,0,0,0|2,0,0]=3 2259 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)F 62a_100000210211_100000211231 [0,1,0,0,0,0|2,0,0]=3 2260 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210210 [0,1,0,0,0,0|2,0,0]=3 2261 B16R1.91 CCCCSCCC(=O)c1ccc(cc1)O 62a_100000210211_100009879949 [0,1,0,0,0,0|2,0,0]=3 2262 B16R1.91 CCCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000210303 [0,1,0,0,0,0|2,0,0]=3 2263 B16R1.91 CCCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000210303 [0,1,0,0,0,0|2,0,0]=3 2264 B16R1.91 CCCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000210303 [0,1,0,0,0,0|2,0,0]=3 2265 B16R1.91 CCCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000210303 [0,1,0,0,0,0|2,0,0]=3 2266 B16R1.91 CCCOCCCC(=O)c1ccc(cc1)Br 34a_100000210258_100000211046 [0,1,0,0,0,0|2,0,0]=3 2267 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Br 1626a_100161115042_100000185839 [0,1,0,0,0,0|2,0,0]=3 2268 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Br 240690a_100161115042_100000185839 [0,1,0,0,0,0|2,0,0]=3 2269 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000210303 [0,1,0,0,0,0|2,0,0]=3 2270 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Br 527a_100161115042_100000185839 [0,1,0,0,0,0|2,0,0]=3 2271 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)C 1626a_100161115042_100000188618 [0,1,0,0,0,0|2,0,0]=3 2272 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)C 240690a_100161115042_100000188618 [0,1,0,0,0,0|2,0,0]=3 2273 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100000210303 [0,1,0,0,0,0|2,0,0]=3 2274 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)C 527a_100161115042_100000188618 [0,1,0,0,0,0|2,0,0]=3 2275 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000210303 [0,1,0,0,0,0|2,0,0]=3 2276 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Cl 1626a_100161115042_100000210187 [0,1,0,0,0,0|2,0,0]=3 2277 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Cl 240690a_100161115042_100000210187 [0,1,0,0,0,0|2,0,0]=3 2278 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)Cl 527a_100161115042_100000210187 [0,1,0,0,0,0|2,0,0]=3 2279 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)F 1626a_100161115042_100000187176 [0,1,0,0,0,0|2,0,0]=3 2280 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)F 240690a_100161115042_100000187176 [0,1,0,0,0,0|2,0,0]=3 2281 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)F 527a_100161115042_100000187176 [0,1,0,0,0,0|2,0,0]=3 2282 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)I 1626a_100161115042_100000187904 [0,1,0,0,0,0|2,0,0]=3 2283 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)I 240690a_100161115042_100000187904 [0,1,0,0,0,0|2,0,0]=3 2284 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)I 527a_100161115042_100000187904 [0,1,0,0,0,0|2,0,0]=3 2285 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000210303 [0,1,0,0,0,0|2,0,0]=3 2286 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)O 240690a_100161115042_100000212099 [0,1,0,0,0,0|2,0,0]=3 2287 B16R1.91 CCCOCCNC(=O)c1ccc(cc1)O 527a_100161115042_100000212099 [0,1,0,0,0,0|2,0,0]=3 2288 B16R1.91 CCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000210303 [0,1,0,0,0,0|1,0,0]=2 2289 B16R1.91 CCCOCCOC(C)c1ccc(cc1)Br 34a_100000745893_100011215938 [0,1,0,0,0,0|2,0,1]=4 2290 B16R1.91 CCCOCCOC(C)c1ccc(cc1)Br 34a_100000752267_100000755118 [0,1,0,0,0,0|2,0,1]=4 2291 B16R1.91 CCCOCCOC(C)c1ccc(cc1)Br 7a_100000745893_100011215938 [0,1,0,0,0,0|2,0,1]=4 2292 B16R1.91 CCCOCCOC(C)c1ccc(cc1)C 34a_100000752267_100011261388 [0,1,0,0,0,0|2,0,1]=4 2293 B16R1.91 CCCOCCOC(C)c1ccc(cc1)C 7a_100000752267_100011261388 [0,1,0,0,0,0|2,0,1]=4 2294 B16R1.91 CCCOCCOC(C)c1ccc(cc1)Cl 7a_100000752267_100000684792 [0,1,0,0,0,0|2,0,1]=4 2295 B16R1.91 CCCOCCOC(C)c1ccc(cc1)F 34a_100000181323_100011215938 [0,1,0,0,0,0|2,0,1]=4 2296 B16R1.91 CCCOCCOC(C)c1ccc(cc1)F 34a_100000752267_100000743420 [0,1,0,0,0,0|2,0,1]=4 2297 B16R1.91 CCCOCCOC(C)c1ccc(cc1)F 7a_100000181323_100011215938 [0,1,0,0,0,0|2,0,1]=4 2298 B16R1.91 CCCOCCOC(C)c1ccc(cc1)F 7a_100000752267_100000743420 [0,1,0,0,0,0|2,0,1]=4 2299 B16R1.91 CCCOCCOC(C)c1ccc(cc1)N 34a_100011216399_100011215938 [0,1,0,0,0,0|2,0,1]=4 2300 B16R1.91 CCCOCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011215938 [0,1,0,0,0,0|2,0,1]=4 2301 B16R1.91 CCCOCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011215938 [0,1,0,0,0,0|2,0,1]=4 2302 B16R1.91 CCCOCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011215938 [0,1,0,0,0,0|2,0,1]=4 2303 B16R1.91 CCCOCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100011215938 [0,1,0,0,0,0|2,0,1]=4 2304 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)Br 62a_100000210303_100000211046 [0,1,0,0,0,0|2,0,0]=3 2305 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000210303 [0,1,0,0,0,0|2,0,0]=3 2306 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)Cl 62a_100000210303_200011217871 [0,1,0,0,0,0|2,0,0]=3 2307 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000210303 [0,1,0,0,0,0|2,0,0]=3 2308 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)F 62a_100000210303_100000211961 [0,1,0,0,0,0|2,0,0]=3 2309 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000210303 [0,1,0,0,0,0|2,0,0]=3 2310 B16R1.91 CCCSCCCC(=O)c1ccc(cc1)O 62a_100000210303_100000039620 [0,1,0,0,0,0|2,0,0]=3 2311 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)Br 11a_100020603323_100000185839 [0,1,0,0,0,0|2,0,0]=3 2312 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)Br 240690a_100020603323_100000185839 [0,1,0,0,0,0|2,0,0]=3 2313 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)Br 527a_100020603323_100000185839 [0,1,0,0,0,0|2,0,0]=3 2314 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)C 11a_100020603323_100000188618 [0,1,0,0,0,0|2,0,0]=3 2315 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)C 240690a_100020603323_100000188618 [0,1,0,0,0,0|2,0,0]=3 2316 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)C 527a_100020603323_100000188618 [0,1,0,0,0,0|2,0,0]=3 2317 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)Cl 11a_100020603323_100000210187 [0,1,0,0,0,0|2,0,0]=3 2318 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)Cl 240690a_100020603323_100000210187 [0,1,0,0,0,0|2,0,0]=3 2319 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)Cl 527a_100020603323_100000210187 [0,1,0,0,0,0|2,0,0]=3 2320 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)F 11a_100020603323_100000187176 [0,1,0,0,0,0|2,0,0]=3 2321 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)F 240690a_100020603323_100000187176 [0,1,0,0,0,0|2,0,0]=3 2322 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)F 527a_100020603323_100000187176 [0,1,0,0,0,0|2,0,0]=3 2323 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)I 11a_100020603323_100000187904 [0,1,0,0,0,0|2,0,0]=3 2324 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)I 240690a_100020603323_100000187904 [0,1,0,0,0,0|2,0,0]=3 2325 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)I 527a_100020603323_100000187904 [0,1,0,0,0,0|2,0,0]=3 2326 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)O 240690a_100020603323_100000212099 [0,1,0,0,0,0|2,0,0]=3 2327 B16R1.91 CCCSCCNC(=O)c1ccc(cc1)O 527a_100020603323_100000212099 [0,1,0,0,0,0|2,0,0]=3 2328 B16R1.91 CCCSCCOC(C)c1ccc(cc1)Br 34a_200000230433_100000755118 [0,1,0,0,0,0|2,0,1]=4 2329 B16R1.91 CCCSCCOC(C)c1ccc(cc1)C 34a_200000230433_100011261388 [0,1,0,0,0,0|2,0,1]=4 2330 B16R1.91 CCCSCCOC(C)c1ccc(cc1)C 7a_200000230433_100011261388 [0,1,0,0,0,0|2,0,1]=4 2331 B16R1.91 CCCSCCOC(C)c1ccc(cc1)Cl 7a_200000230433_100000684792 [0,1,0,0,0,0|2,0,1]=4 2332 B16R1.91 CCCSCCOC(C)c1ccc(cc1)F 34a_200000230433_100000743420 [0,1,0,0,0,0|2,0,1]=4 2333 B16R1.91 CCCSCCOC(C)c1ccc(cc1)F 7a_200000230433_100000743420 [0,1,0,0,0,0|2,0,1]=4 2334 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Br 11a_100000210961_100000185839 [0,1,0,0,0,0|2,0,0]=3 2335 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Br 1626a_100000210961_100000185839 [0,1,0,0,0,0|2,0,0]=3 2336 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Br 240690a_100000210961_100000185839 [0,1,0,0,0,0|2,0,0]=3 2337 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Br 527a_100000210961_100000185839 [0,1,0,0,0,0|2,0,0]=3 2338 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)C 11a_100000210961_100000188618 [0,1,0,0,0,0|2,0,0]=3 2339 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)C 1626a_100000210961_100000188618 [0,1,0,0,0,0|2,0,0]=3 2340 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)C 240690a_100000210961_100000188618 [0,1,0,0,0,0|2,0,0]=3 2341 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)C 527a_100000210961_100000188618 [0,1,0,0,0,0|2,0,0]=3 2342 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Cl 11a_100000210961_100000210187 [0,1,0,0,0,0|2,0,0]=3 2343 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Cl 1626a_100000210961_100000210187 [0,1,0,0,0,0|2,0,0]=3 2344 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Cl 240690a_100000210961_100000210187 [0,1,0,0,0,0|2,0,0]=3 2345 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)Cl 527a_100000210961_100000210187 [0,1,0,0,0,0|2,0,0]=3 2346 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)F 11a_100000210961_100000187176 [0,1,0,0,0,0|2,0,0]=3 2347 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)F 1626a_100000210961_100000187176 [0,1,0,0,0,0|2,0,0]=3 2348 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)F 240690a_100000210961_100000187176 [0,1,0,0,0,0|2,0,0]=3 2349 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)F 527a_100000210961_100000187176 [0,1,0,0,0,0|2,0,0]=3 2350 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)I 11a_100000210961_100000187904 [0,1,0,0,0,0|2,0,0]=3 2351 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)I 1626a_100000210961_100000187904 [0,1,0,0,0,0|2,0,0]=3 2352 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)I 240690a_100000210961_100000187904 [0,1,0,0,0,0|2,0,0]=3 2353 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)I 527a_100000210961_100000187904 [0,1,0,0,0,0|2,0,0]=3 2354 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)O 240690a_100000210961_100000212099 [0,1,0,0,0,0|2,0,0]=3 2355 B16R1.91 CCOCCCNC(=O)c1ccc(cc1)O 527a_100000210961_100000212099 [0,1,0,0,0,0|2,0,0]=3 2356 B16R1.91 CCOCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100012232248 [0,1,0,0,0,0|2,0,1]=4 2357 B16R1.91 CCOCCCOC(C)c1ccc(cc1)Br 34a_100000757476_100000755118 [0,1,0,0,0,0|2,0,1]=4 2358 B16R1.91 CCOCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100012232248 [0,1,0,0,0,0|2,0,1]=4 2359 B16R1.91 CCOCCCOC(C)c1ccc(cc1)C 34a_100000757476_100011261388 [0,1,0,0,0,0|2,0,1]=4 2360 B16R1.91 CCOCCCOC(C)c1ccc(cc1)C 7a_100000757476_100011261388 [0,1,0,0,0,0|2,0,1]=4 2361 B16R1.91 CCOCCCOC(C)c1ccc(cc1)Cl 7a_100000757476_100000684792 [0,1,0,0,0,0|2,0,1]=4 2362 B16R1.91 CCOCCCOC(C)c1ccc(cc1)F 34a_100000181323_100012232248 [0,1,0,0,0,0|2,0,1]=4 2363 B16R1.91 CCOCCCOC(C)c1ccc(cc1)F 34a_100000757476_100000743420 [0,1,0,0,0,0|2,0,1]=4 2364 B16R1.91 CCOCCCOC(C)c1ccc(cc1)F 7a_100000181323_100012232248 [0,1,0,0,0,0|2,0,1]=4 2365 B16R1.91 CCOCCCOC(C)c1ccc(cc1)F 7a_100000757476_100000743420 [0,1,0,0,0,0|2,0,1]=4 2366 B16R1.91 CCOCCCOC(C)c1ccc(cc1)N 34a_100011216399_100012232248 [0,1,0,0,0,0|2,0,1]=4 2367 B16R1.91 CCOCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100012232248 [0,1,0,0,0,0|2,0,1]=4 2368 B16R1.91 CCOCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100012232248 [0,1,0,0,0,0|2,0,1]=4 2369 B16R1.91 CCOCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100012232248 [0,1,0,0,0,0|2,0,1]=4 2370 B16R1.91 CCOCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100012232248 [0,1,0,0,0,0|2,0,1]=4 2371 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)Br 34a_102516460346_100000188085 [0,1,0,0,0,0|3,0,0]=4 2372 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)C 2230a_102516460346_100000211441 [0,1,0,0,0,0|3,0,0]=4 2373 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)C 34a_102516460346_100000211441 [0,1,0,0,0,0|3,0,0]=4 2374 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)I 34a_102516460346_100011216261 [0,1,0,0,0,0|3,0,0]=4 2375 B16R1.91 CCOCCNCC(=O)c1ccc(cc1)O 34a_102516460346_100009814261 [0,1,0,0,0,0|3,0,0]=4 2376 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)Br 22a_100000732670_100000185839 [0,1,0,0,0,0|3,0,0]=4 2377 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)C 22a_100000732670_100000188618 [0,1,0,0,0,0|3,0,0]=4 2378 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)Cl 22a_100000732670_100000210187 [0,1,0,0,0,0|3,0,0]=4 2379 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)F 22a_100000732670_100000187176 [0,1,0,0,0,0|3,0,0]=4 2380 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)I 22a_100000732670_100000187904 [0,1,0,0,0,0|3,0,0]=4 2381 B16R1.91 CCOCCNNC(=O)c1ccc(cc1)O 22a_100000732670_100000212099 [0,1,0,0,0,0|3,0,0]=4 2382 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)Br 34a_100000210136_100000188085 [0,1,0,0,0,0|3,0,0]=4 2383 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)Br 7a_100000210136_100000188085 [0,1,0,0,0,0|3,0,0]=4 2384 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)C 34a_100000210136_100000211441 [0,1,0,0,0,0|3,0,0]=4 2385 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)C 7a_100000210136_100000211441 [0,1,0,0,0,0|3,0,0]=4 2386 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)Cl 7a_100000210136_100000211071 [0,1,0,0,0,0|3,0,0]=4 2387 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210147 [0,1,0,0,0,0|3,0,0]=4 2388 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)F 7a_100000210136_100000211279 [0,1,0,0,0,0|3,0,0]=4 2389 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)I 34a_100000210136_100011216261 [0,1,0,0,0,0|3,0,0]=4 2390 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)I 7a_100000210136_100011216261 [0,1,0,0,0,0|3,0,0]=4 2391 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)O 34a_100000210136_100009814261 [0,1,0,0,0,0|3,0,0]=4 2392 B16R1.91 CCOCCOCC(=O)c1ccc(cc1)O 7a_100000210136_100000018856 [0,1,0,0,0,0|3,0,0]=4 2393 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011215890 [0,1,0,0,0,0|3,0,0]=4 2394 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)C 62a_100000210147_100000211441 [0,1,0,0,0,0|3,0,0]=4 2395 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100011215890 [0,1,0,0,0,0|3,0,0]=4 2396 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)Cl 62a_100000210147_100000211071 [0,1,0,0,0,0|3,0,0]=4 2397 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011215890 [0,1,0,0,0,0|3,0,0]=4 2398 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)F 62a_100000210147_100000211279 [0,1,0,0,0,0|3,0,0]=4 2399 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100011215890 [0,1,0,0,0,0|3,0,0]=4 2400 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)I 62a_100000210147_100011216261 [0,1,0,0,0,0|3,0,0]=4 2401 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100011215890 [0,1,0,0,0,0|3,0,0]=4 2402 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)O 62a_100000210147_100009814261 [0,1,0,0,0,0|3,0,0]=4 2403 B16R1.91 CCOCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011215890 [0,1,0,0,0,0|3,0,0]=4 2404 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)Br 62a_100000739092_100011215963 [0,1,0,0,0,0|3,0,0]=4 2405 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000739092 [0,1,0,0,0,0|3,0,0]=4 2406 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000739092 [0,1,0,0,0,0|3,0,0]=4 2407 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)C 62a_100000739092_100000701375 [0,1,0,0,0,0|3,0,0]=4 2408 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)Cl 62a_100000739092_100011216492 [0,1,0,0,0,0|3,0,0]=4 2409 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000739092 [0,1,0,0,0,0|3,0,0]=4 2410 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000739092 [0,1,0,0,0,0|3,0,0]=4 2411 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)F 62a_100000739092_100000211231 [0,1,0,0,0,0|3,0,0]=4 2412 B16R1.91 CCOCSCCC(=O)c1ccc(cc1)O 62a_100000739092_100009879949 [0,1,0,0,0,0|3,0,0]=4 2413 B16R1.91 CCSCCCOC(C)c1ccc(cc1)Br 34a_100011216438_100000755118 [0,1,0,0,0,0|2,0,1]=4 2414 B16R1.91 CCSCCCOC(C)c1ccc(cc1)C 34a_100011216438_100011261388 [0,1,0,0,0,0|2,0,1]=4 2415 B16R1.91 CCSCCCOC(C)c1ccc(cc1)C 7a_100011216438_100011261388 [0,1,0,0,0,0|2,0,1]=4 2416 B16R1.91 CCSCCCOC(C)c1ccc(cc1)Cl 7a_100011216438_100000684792 [0,1,0,0,0,0|2,0,1]=4 2417 B16R1.91 CCSCCCOC(C)c1ccc(cc1)F 34a_100011216438_100000743420 [0,1,0,0,0,0|2,0,1]=4 2418 B16R1.91 CCSCCCOC(C)c1ccc(cc1)F 7a_100011216438_100000743420 [0,1,0,0,0,0|2,0,1]=4 2419 B16R1.91 CCSCCNCC(=O)c1ccc(cc1)C 2230a_100000106463_100000211441 [0,1,0,0,0,0|3,0,0]=4 2420 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)Br 34a_100000212035_100000188085 [0,1,0,0,0,0|3,0,0]=4 2421 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)Br 7a_100000212035_100000188085 [0,1,0,0,0,0|3,0,0]=4 2422 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)C 34a_100000212035_100000211441 [0,1,0,0,0,0|3,0,0]=4 2423 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)C 7a_100000212035_100000211441 [0,1,0,0,0,0|3,0,0]=4 2424 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)Cl 7a_100000212035_100000211071 [0,1,0,0,0,0|3,0,0]=4 2425 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000757381 [0,1,0,0,0,0|3,0,0]=4 2426 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)F 7a_100000212035_100000211279 [0,1,0,0,0,0|3,0,0]=4 2427 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)I 34a_100000212035_100011216261 [0,1,0,0,0,0|3,0,0]=4 2428 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)I 7a_100000212035_100011216261 [0,1,0,0,0,0|3,0,0]=4 2429 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)O 34a_100000212035_100009814261 [0,1,0,0,0,0|3,0,0]=4 2430 B16R1.91 CCSCCOCC(=O)c1ccc(cc1)O 7a_100000212035_100000018856 [0,1,0,0,0,0|3,0,0]=4 2431 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000757381 [0,1,0,0,0,0|3,0,0]=4 2432 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000757381 [0,1,0,0,0,0|3,0,0]=4 2433 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)C 62a_100000757381_100000211441 [0,1,0,0,0,0|3,0,0]=4 2434 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000757381 [0,1,0,0,0,0|3,0,0]=4 2435 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)Cl 62a_100000757381_100000211071 [0,1,0,0,0,0|3,0,0]=4 2436 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000757381 [0,1,0,0,0,0|3,0,0]=4 2437 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)F 62a_100000757381_100000211279 [0,1,0,0,0,0|3,0,0]=4 2438 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)I 62a_100000757381_100011216261 [0,1,0,0,0,0|3,0,0]=4 2439 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000757381 [0,1,0,0,0,0|3,0,0]=4 2440 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)O 62a_100000757381_100009814261 [0,1,0,0,0,0|3,0,0]=4 2441 B16R1.91 CCSCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000757381 [0,1,0,0,0,0|3,0,0]=4 2442 B16R1.91 CNCCCOCC(=O)c1ccc(cc1)Br 34a_100000213112_100000188085 [0,1,0,0,0,0|3,0,0]=4 2443 B16R1.91 CNCCCOCC(=O)c1ccc(cc1)C 34a_100000213112_100000211441 [0,1,0,0,0,0|3,0,0]=4 2444 B16R1.91 CNCCCOCC(=O)c1ccc(cc1)I 34a_100000213112_100011216261 [0,1,0,0,0,0|3,0,0]=4 2445 B16R1.91 CNCCCOCC(=O)c1ccc(cc1)O 34a_100000213112_100009814261 [0,1,0,0,0,0|3,0,0]=4 2446 B16R1.91 COCCCCOC(C)c1ccc(cc1)Br 34a_100000740925_100000755118 [0,1,0,0,0,0|2,0,1]=4 2447 B16R1.91 COCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000755781 [0,1,0,0,0,0|2,0,1]=4 2448 B16R1.91 COCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000730899 [0,1,0,0,0,0|2,0,1]=4 2449 B16R1.91 COCCCCOC(C)c1ccc(cc1)C 34a_100000740925_100011261388 [0,1,0,0,0,0|2,0,1]=4 2450 B16R1.91 COCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000755781 [0,1,0,0,0,0|2,0,1]=4 2451 B16R1.91 COCCCCOC(C)c1ccc(cc1)F 34a_100000740925_100000743420 [0,1,0,0,0,0|2,0,1]=4 2452 B16R1.91 COCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000730899 [0,1,0,0,0,0|2,0,1]=4 2453 B16R1.91 COCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000755781 [0,1,0,0,0,0|2,0,1]=4 2454 B16R1.91 COCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000755781 [0,1,0,0,0,0|2,0,1]=4 2455 B16R1.91 COCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000730899 [0,1,0,0,0,0|2,0,1]=4 2456 B16R1.91 COCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000755781 [0,1,0,0,0,0|2,0,1]=4 2457 B16R1.91 COCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000730899 [0,1,0,0,0,0|2,0,1]=4 2458 B16R1.91 COCCCNCC(=O)c1ccc(cc1)Br 34a_100150723488_100000188085 [0,1,0,0,0,0|3,0,0]=4 2459 B16R1.91 COCCCNCC(=O)c1ccc(cc1)C 34a_100150723488_100000211441 [0,1,0,0,0,0|3,0,0]=4 2460 B16R1.91 COCCCNCC(=O)c1ccc(cc1)I 34a_100150723488_100011216261 [0,1,0,0,0,0|3,0,0]=4 2461 B16R1.91 COCCCNCC(=O)c1ccc(cc1)O 34a_100150723488_100009814261 [0,1,0,0,0,0|3,0,0]=4 2462 B16R1.91 COCCCNNC(=O)c1ccc(cc1)Br 22a_100025702787_100000185839 [0,1,0,0,0,0|3,0,0]=4 2463 B16R1.91 COCCCNNC(=O)c1ccc(cc1)C 22a_100025702787_100000188618 [0,1,0,0,0,0|3,0,0]=4 2464 B16R1.91 COCCCNNC(=O)c1ccc(cc1)Cl 22a_100025702787_100000210187 [0,1,0,0,0,0|3,0,0]=4 2465 B16R1.91 COCCCNNC(=O)c1ccc(cc1)F 22a_100025702787_100000187176 [0,1,0,0,0,0|3,0,0]=4 2466 B16R1.91 COCCCNNC(=O)c1ccc(cc1)I 22a_100025702787_100000187904 [0,1,0,0,0,0|3,0,0]=4 2467 B16R1.91 COCCCNNC(=O)c1ccc(cc1)O 22a_100025702787_100000212099 [0,1,0,0,0,0|3,0,0]=4 2468 B16R1.91 COCCCOCC(=O)c1ccc(cc1)Br 34a_100000740835_100000188085 [0,1,0,0,0,0|3,0,0]=4 2469 B16R1.91 COCCCOCC(=O)c1ccc(cc1)C 34a_100000740835_100000211441 [0,1,0,0,0,0|3,0,0]=4 2470 B16R1.91 COCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000740836 [0,1,0,0,0,0|3,0,0]=4 2471 B16R1.91 COCCCOCC(=O)c1ccc(cc1)I 34a_100000740835_100011216261 [0,1,0,0,0,0|3,0,0]=4 2472 B16R1.91 COCCCOCC(=O)c1ccc(cc1)O 34a_100000740835_100009814261 [0,1,0,0,0,0|3,0,0]=4 2473 B16R1.91 COCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000709357 [0,1,0,0,0,0|3,0,0]=4 2474 B16R1.91 COCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000709357 [0,1,0,0,0,0|3,0,0]=4 2475 B16R1.91 COCCCSCC(=O)c1ccc(cc1)C 62a_100000709357_100000211441 [0,1,0,0,0,0|3,0,0]=4 2476 B16R1.91 COCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000709357 [0,1,0,0,0,0|3,0,0]=4 2477 B16R1.91 COCCCSCC(=O)c1ccc(cc1)Cl 62a_100000709357_100000211071 [0,1,0,0,0,0|3,0,0]=4 2478 B16R1.91 COCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000709357 [0,1,0,0,0,0|3,0,0]=4 2479 B16R1.91 COCCCSCC(=O)c1ccc(cc1)F 62a_100000709357_100000211279 [0,1,0,0,0,0|3,0,0]=4 2480 B16R1.91 COCCCSCC(=O)c1ccc(cc1)I 62a_100000709357_100011216261 [0,1,0,0,0,0|3,0,0]=4 2481 B16R1.91 COCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000709357 [0,1,0,0,0,0|3,0,0]=4 2482 B16R1.91 COCCCSCC(=O)c1ccc(cc1)O 62a_100000709357_100009814261 [0,1,0,0,0,0|3,0,0]=4 2483 B16R1.91 COCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000709357 [0,1,0,0,0,0|3,0,0]=4 2484 B16R1.91 COCCNCCC(=O)c1ccc(cc1)C 2230a_100000209980_100000701375 [0,1,0,0,0,0|3,0,0]=4 2485 B16R1.91 COCCNCCC(=O)c1ccc(cc1)F 2230a_100000209980_100000211231 [0,1,0,0,0,0|3,0,0]=4 2486 B16R1.91 COCCNCCC(=O)c1ccc(cc1)O 2230a_100000209980_100009879949 [0,1,0,0,0,0|3,0,0]=4 2487 B16R1.91 COCCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000695917 [0,1,0,0,0,0|3,0,0]=4 2488 B16R1.91 COCCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000695917 [0,1,0,0,0,0|3,0,0]=4 2489 B16R1.91 COCCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000695917 [0,1,0,0,0,0|3,0,0]=4 2490 B16R1.91 COCCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000695917 [0,1,0,0,0,0|3,0,0]=4 2491 B16R1.91 COCCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000695917 [0,1,0,0,0,0|3,0,0]=4 2492 B16R1.91 COCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000695917 [0,1,0,0,0,0|3,0,0]=4 2493 B16R1.91 COCCSCCC(=O)c1ccc(cc1)Br 62a_100000233755_100011215963 [0,1,0,0,0,0|3,0,0]=4 2494 B16R1.91 COCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000233755 [0,1,0,0,0,0|3,0,0]=4 2495 B16R1.91 COCCSCCC(=O)c1ccc(cc1)C 62a_100000233755_100000701375 [0,1,0,0,0,0|3,0,0]=4 2496 B16R1.91 COCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000233755 [0,1,0,0,0,0|3,0,0]=4 2497 B16R1.91 COCCSCCC(=O)c1ccc(cc1)Cl 62a_100000233755_100011216492 [0,1,0,0,0,0|3,0,0]=4 2498 B16R1.91 COCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000233755 [0,1,0,0,0,0|3,0,0]=4 2499 B16R1.91 COCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000233755 [0,1,0,0,0,0|3,0,0]=4 2500 B16R1.91 COCCSCCC(=O)c1ccc(cc1)F 62a_100000233755_100000211231 [0,1,0,0,0,0|3,0,0]=4 2501 B16R1.91 COCCSCCC(=O)c1ccc(cc1)O 62a_100000233755_100009879949 [0,1,0,0,0,0|3,0,0]=4 2502 B16R1.91 COCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000766300 [0,1,0,0,0,0|3,0,0]=4 2503 B16R1.91 COCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000766300 [0,1,0,0,0,0|3,0,0]=4 2504 B16R1.91 COCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000766300 [0,1,0,0,0,0|3,0,0]=4 2505 B16R1.91 COCSCCCC(=O)c1ccc(cc1)Br 62a_100000766300_100000211046 [0,1,0,0,0,0|3,0,0]=4 2506 B16R1.91 COCSCCCC(=O)c1ccc(cc1)Cl 62a_100000766300_200011217871 [0,1,0,0,0,0|3,0,0]=4 2507 B16R1.91 COCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000766300 [0,1,0,0,0,0|3,0,0]=4 2508 B16R1.91 COCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000766300 [0,1,0,0,0,0|3,0,0]=4 2509 B16R1.91 COCSCCCC(=O)c1ccc(cc1)F 62a_100000766300_100000211961 [0,1,0,0,0,0|3,0,0]=4 2510 B16R1.91 COCSCCCC(=O)c1ccc(cc1)O 62a_100000766300_100000039620 [0,1,0,0,0,0|3,0,0]=4 2511 B16R1.91 CSCCCCOC(C)c1ccc(cc1)Br 34a_100011217163_100000755118 [0,1,0,0,0,0|2,0,1]=4 2512 B16R1.91 CSCCCCOC(C)c1ccc(cc1)C 34a_100011217163_100011261388 [0,1,0,0,0,0|2,0,1]=4 2513 B16R1.91 CSCCCCOC(C)c1ccc(cc1)C 7a_100011217163_100011261388 [0,1,0,0,0,0|2,0,1]=4 2514 B16R1.91 CSCCCCOC(C)c1ccc(cc1)Cl 7a_100011217163_100000684792 [0,1,0,0,0,0|2,0,1]=4 2515 B16R1.91 CSCCCCOC(C)c1ccc(cc1)F 34a_100011217163_100000743420 [0,1,0,0,0,0|2,0,1]=4 2516 B16R1.91 CSCCCCOC(C)c1ccc(cc1)F 7a_100011217163_100000743420 [0,1,0,0,0,0|2,0,1]=4 2517 B16R1.91 CSCCCNCC(=O)c1ccc(cc1)C 2230a_100000749238_100000211441 [0,1,0,0,0,0|3,0,0]=4 2518 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)Br 34a_100000690336_100000188085 [0,1,0,0,0,0|3,0,0]=4 2519 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)Br 7a_100000690336_100000188085 [0,1,0,0,0,0|3,0,0]=4 2520 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)C 34a_100000690336_100000211441 [0,1,0,0,0,0|3,0,0]=4 2521 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)C 7a_100000690336_100000211441 [0,1,0,0,0,0|3,0,0]=4 2522 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)Cl 7a_100000690336_100000211071 [0,1,0,0,0,0|3,0,0]=4 2523 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)F 7a_100000690336_100000211279 [0,1,0,0,0,0|3,0,0]=4 2524 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)I 34a_100000690336_100011216261 [0,1,0,0,0,0|3,0,0]=4 2525 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)I 7a_100000690336_100011216261 [0,1,0,0,0,0|3,0,0]=4 2526 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)O 34a_100000690336_100009814261 [0,1,0,0,0,0|3,0,0]=4 2527 B16R1.91 CSCCCOCC(=O)c1ccc(cc1)O 7a_100000690336_100000018856 [0,1,0,0,0,0|3,0,0]=4 2528 B16R1.91 CSCCNCCC(=O)c1ccc(cc1)C 2230a_100020590264_100000701375 [0,1,0,0,0,0|3,0,0]=4 2529 B16R1.91 CSCCNCCC(=O)c1ccc(cc1)F 2230a_100020590264_100000211231 [0,1,0,0,0,0|3,0,0]=4 2530 B16R1.91 CSCCNCCC(=O)c1ccc(cc1)O 2230a_100020590264_100009879949 [0,1,0,0,0,0|3,0,0]=4 2531 B16R1.91 CSCCOCCC(=O)c1ccc(cc1)Br 7a_100000230434_100011215963 [0,1,0,0,0,0|3,0,0]=4 2532 B16R1.91 CSCCOCCC(=O)c1ccc(cc1)C 7a_100000230434_100000701375 [0,1,0,0,0,0|3,0,0]=4 2533 B16R1.91 CSCCOCCC(=O)c1ccc(cc1)Cl 7a_100000230434_100011216492 [0,1,0,0,0,0|3,0,0]=4 2534 B16R1.91 CSCCOCCC(=O)c1ccc(cc1)F 7a_100000230434_100000211231 [0,1,0,0,0,0|3,0,0]=4 2535 B16R1.91 CSCCOCCC(=O)c1ccc(cc1)O 7a_100000230434_100009879949 [0,1,0,0,0,0|3,0,0]=4 2536 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)Br 62a_100000212216_100011215963 [0,1,0,0,0,0|3,0,0]=4 2537 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000751147 [0,1,0,0,0,0|3,0,0]=4 2538 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)C 62a_100000212216_100000701375 [0,1,0,0,0,0|3,0,0]=4 2539 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000751147 [0,1,0,0,0,0|3,0,0]=4 2540 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)Cl 62a_100000212216_100011216492 [0,1,0,0,0,0|3,0,0]=4 2541 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000751147 [0,1,0,0,0,0|3,0,0]=4 2542 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000751147 [0,1,0,0,0,0|3,0,0]=4 2543 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)F 62a_100000212216_100000211231 [0,1,0,0,0,0|3,0,0]=4 2544 B16R1.91 CSCCSCCC(=O)c1ccc(cc1)O 62a_100000212216_100009879949 [0,1,0,0,0,0|3,0,0]=4 2545 B16R1.91 CSCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100011218213 [0,1,0,0,0,0|3,0,0]=4 2546 B16R1.91 CSCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100011218213 [0,1,0,0,0,0|3,0,0]=4 2547 B16R1.91 CSCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100011218213 [0,1,0,0,0,0|3,0,0]=4 2548 B16R1.91 CSCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100011218213 [0,1,0,0,0,0|3,0,0]=4 2549 B16R1.91 CSCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100011218213 [0,1,0,0,0,0|3,0,0]=4 2550 B16R1.91 CSCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100011218213 [0,1,0,0,0,0|3,0,0]=4 2551 B16R1.91 CSCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100011218213 [0,1,0,0,0,0|3,0,0]=4 2552 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100011218213 [0,1,0,0,0,0|3,0,0]=4 2553 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)Br 62a_100011218213_100000211046 [0,1,0,0,0,0|3,0,0]=4 2554 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)Cl 62a_100011218213_200011217871 [0,1,0,0,0,0|3,0,0]=4 2555 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100011218213 [0,1,0,0,0,0|3,0,0]=4 2556 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100011218213 [0,1,0,0,0,0|3,0,0]=4 2557 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)F 62a_100011218213_100000211961 [0,1,0,0,0,0|3,0,0]=4 2558 B16R1.91 CSCSCCCC(=O)c1ccc(cc1)O 62a_100011218213_100000039620 [0,1,0,0,0,0|3,0,0]=4 2559 B16R1.91 C[C@H](OCCCCCF)c1ccc(cc1)Cl 34a_100011852131_100000729378 [0,1,0,0,0,0|2,0,1]=4 2560 B16R1.91 C[C@H](OCCCCCF)c1ccc(cc1)Cl 7a_100011852131_100000729378 [0,1,0,0,0,0|2,0,1]=4 2561 B16R1.91 C[C@H](OCCCCCO)c1ccc(cc1)Cl 34a_100011852131_100000746330 [0,1,0,0,0,0|2,0,1]=4 2562 B16R1.91 C[C@H](OCCCCCO)c1ccc(cc1)Cl 7a_100011852131_100000746330 [0,1,0,0,0,0|2,0,1]=4 2563 B16R1.91 Cc1ccc(cc1)C(=O)CCCCCC#N 1458a_100000188618_100009813376 [0,1,0,0,0,0|2,0,1]=4 2564 B16R1.91 Cc1ccc(cc1)C(=O)CCCCCCF 1458a_100000188618_100015922095 [0,1,0,0,0,0|2,0,0]=3 2565 B16R1.91 Cc1ccc(cc1)C(=O)CCCCCCO 1458a_100000188618_100000766143 [0,1,0,0,0,0|2,0,0]=3 2566 B16R1.91 Cc1ccc(cc1)C(=O)CCNCCCF 2230a_100015189416_100000701375 [0,1,0,0,0,0|3,0,0]=4 2567 B16R1.91 Cc1ccc(cc1)C(=O)CCSCCCF 62a_100000701375_100011934791 [0,1,0,0,0,0|3,0,0]=4 2568 B16R1.91 Cc1ccc(cc1)C(=O)CCSCCCF 62a_100011934791_100000701375 [0,1,0,0,0,0|3,0,0]=4 2569 B16R1.91 Cc1ccc(cc1)C(=O)CCSCCCO 62a_100000701375_100011215043 [0,1,0,0,0,0|3,0,0]=4 2570 B16R1.91 Cc1ccc(cc1)C(=O)CCSCCCO 62a_100011215043_100000701375 [0,1,0,0,0,0|3,0,0]=4 2571 B16R1.91 Cc1ccc(cc1)C(=O)CNCCCCO 2230a_100000750430_100000211441 [0,1,0,0,0,0|3,0,0]=4 2572 B16R1.91 Cc1ccc(cc1)C(=O)CNCCCCO 34a_100000750430_100000211441 [0,1,0,0,0,0|3,0,0]=4 2573 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCBr 34a_100011216708_100000211441 [0,1,0,0,0,0|3,0,0]=4 2574 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCCl 34a_100000210776_100000211441 [0,1,0,0,0,0|3,0,0]=4 2575 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCCl 7a_100000210776_100000211441 [0,1,0,0,0,0|3,0,0]=4 2576 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCF 34a_100011995726_100000211441 [0,1,0,0,0,0|3,0,0]=4 2577 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCF 7a_100011995726_100000211441 [0,1,0,0,0,0|3,0,0]=4 2578 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCI 34a_200012148704_100000211441 [0,1,0,0,0,0|3,0,0]=4 2579 B16R1.91 Cc1ccc(cc1)C(=O)COCCCCN 34a_100000750430_100000211441 [0,1,0,0,0,0|3,0,0]=4 2580 B16R1.91 Cc1ccc(cc1)C(=O)CSCCCCF 62a_100000211441_100000729493 [0,1,0,0,0,0|3,0,0]=4 2581 B16R1.91 Cc1ccc(cc1)C(=O)CSCCCCF 62a_100000729493_100000211441 [0,1,0,0,0,0|3,0,0]=4 2582 B16R1.91 Cc1ccc(cc1)C(=O)CSCCCCO 62a_100000210776_100000211441 [0,1,0,0,0,0|3,0,0]=4 2583 B16R1.91 Cc1ccc(cc1)C(=O)CSCCCCO 62a_100000211441_100000210776 [0,1,0,0,0,0|3,0,0]=4 2584 B16R1.91 Cc1ccc(cc1)C(=O)NCCCCC#N 11a_100000751965_100000188618 [0,1,0,0,0,0|2,0,1]=4 2585 B16R1.91 Cc1ccc(cc1)C(=O)NCCCCC#N 1626a_100000751965_100000188618 [0,1,0,0,0,0|2,0,1]=4 2586 B16R1.91 Cc1ccc(cc1)C(=O)NCCCCC#N 240690a_100000751965_100000188618 [0,1,0,0,0,0|2,0,1]=4 2587 B16R1.91 Cc1ccc(cc1)C(=O)NCCCCC#N 527a_100000751965_100000188618 [0,1,0,0,0,0|2,0,1]=4 2588 B16R1.91 Cc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100000188618 [0,1,0,0,0,0|2,0,0]=3 2589 B16R1.91 Cc1ccc(cc1)C(=O)NCCOCCF 34a_200000158910_100011217306 [0,1,0,0,0,0|3,0,0]=4 2590 B16R1.91 Cc1ccc(cc1)C(=O)NCCOCCF 7a_200000158910_100011217306 [0,1,0,0,0,0|3,0,0]=4 2591 B16R1.91 Cc1ccc(cc1)C(=O)NCCOCCO 240690a_100000211614_100000188618 [0,1,0,0,0,0|3,0,0]=4 2592 B16R1.91 Cc1ccc(cc1)C(=O)NCCOCCO 34a_200000158910_100000211926 [0,1,0,0,0,0|3,0,0]=4 2593 B16R1.91 Cc1ccc(cc1)C(=O)NCCOCCO 7a_200000158910_100000211926 [0,1,0,0,0,0|3,0,0]=4 2594 B16R1.91 Cc1ccc(cc1)C(=O)NCCSCCO 240690a_100011219999_100000188618 [0,1,0,0,0,0|3,0,0]=4 2595 B16R1.91 Cc1ccc(cc1)C(=O)NCCSCCO 527a_100011219999_100000188618 [0,1,0,0,0,0|3,0,0]=4 2596 B16R1.91 Cc1ccc(cc1)C(=O)OCCOCC#N 7a_200000031072_100011215382 [0,1,0,0,0,0|2,0,1]=4 2597 B16R1.91 Cc1ccc(cc1)C(=O)OCCOCC=O 7a_200000031072_200015260668 [0,1,0,0,0,0|2,0,1]=4 2598 B16R1.91 Cc1ccc(cc1)C(=O)OCCOCCF 7a_200000031072_100011217306 [0,1,0,0,0,0|2,0,0]=3 2599 B16R1.91 Cc1ccc(cc1)C(=O)OCCOCCO 7a_200000031072_100000211926 [0,1,0,0,0,0|2,0,0]=3 2600 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCBr 34a_100000746331_100011261388 [0,1,0,0,0,0|2,0,1]=4 2601 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCBr 7a_100000746331_100011261388 [0,1,0,0,0,0|2,0,1]=4 2602 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCCl 34a_100000746330_100011261388 [0,1,0,0,0,0|2,0,1]=4 2603 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCCl 7a_100000746330_100011261388 [0,1,0,0,0,0|2,0,1]=4 2604 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCI 34a_200012148887_100011261388 [0,1,0,0,0,0|2,0,1]=4 2605 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCI 7a_200012148887_100011261388 [0,1,0,0,0,0|2,0,1]=4 2606 B16R1.91 Cc1ccc(cc1)C(C)OCCCCCN 34a_100000762737_100011261388 [0,1,0,0,0,0|2,0,1]=4 2607 B16R1.91 Cc1ccc(cc1)[C@@H](C)OCCCCCF 34a_100000690690_100000729378 [0,1,0,0,0,0|2,0,1]=4 2608 B16R1.91 Cc1ccc(cc1)[C@@H](C)OCCCCCF 7a_100000690690_100000729378 [0,1,0,0,0,0|2,0,1]=4 2609 B16R1.91 Cc1ccc(cc1)[C@@H](C)OCCCCCO 34a_100000690690_100000746330 [0,1,0,0,0,0|2,0,1]=4 2610 B16R1.91 Cc1ccc(cc1)[C@@H](C)OCCCCCO 7a_100000690690_100000746330 [0,1,0,0,0,0|2,0,1]=4 2611 B16R1.91 N#CCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100009813376 [0,1,0,0,0,0|2,0,1]=4 2612 B16R1.91 N#CCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009813376 [0,1,0,0,0,0|2,0,1]=4 2613 B16R1.91 N#CCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100009813376 [0,1,0,0,0,0|2,0,1]=4 2614 B16R1.91 N#CCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100009813376 [0,1,0,0,0,0|2,0,1]=4 2615 B16R1.91 N#CCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100009813376 [0,1,0,0,0,0|2,0,1]=4 2616 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Br 11a_100000751965_100000185839 [0,1,0,0,0,0|2,0,1]=4 2617 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Br 1626a_100000751965_100000185839 [0,1,0,0,0,0|2,0,1]=4 2618 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Br 240690a_100000751965_100000185839 [0,1,0,0,0,0|2,0,1]=4 2619 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Br 527a_100000751965_100000185839 [0,1,0,0,0,0|2,0,1]=4 2620 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Cl 11a_100000751965_100000210187 [0,1,0,0,0,0|2,0,1]=4 2621 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000751965_100000210187 [0,1,0,0,0,0|2,0,1]=4 2622 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000751965_100000210187 [0,1,0,0,0,0|2,0,1]=4 2623 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)Cl 527a_100000751965_100000210187 [0,1,0,0,0,0|2,0,1]=4 2624 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)F 11a_100000751965_100000187176 [0,1,0,0,0,0|2,0,1]=4 2625 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)F 1626a_100000751965_100000187176 [0,1,0,0,0,0|2,0,1]=4 2626 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)F 240690a_100000751965_100000187176 [0,1,0,0,0,0|2,0,1]=4 2627 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)F 527a_100000751965_100000187176 [0,1,0,0,0,0|2,0,1]=4 2628 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)I 11a_100000751965_100000187904 [0,1,0,0,0,0|2,0,1]=4 2629 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)I 1626a_100000751965_100000187904 [0,1,0,0,0,0|2,0,1]=4 2630 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)I 240690a_100000751965_100000187904 [0,1,0,0,0,0|2,0,1]=4 2631 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)I 527a_100000751965_100000187904 [0,1,0,0,0,0|2,0,1]=4 2632 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)O 240690a_100000751965_100000212099 [0,1,0,0,0,0|2,0,1]=4 2633 B16R1.91 N#CCCCCNC(=O)c1ccc(cc1)O 527a_100000751965_100000212099 [0,1,0,0,0,0|2,0,1]=4 2634 B16R1.91 NCCCCOCC(=O)c1ccc(cc1)Br 34a_100000750430_100000188085 [0,1,0,0,0,0|3,0,0]=4 2635 B16R1.91 NCCCCOCC(=O)c1ccc(cc1)I 34a_100000750430_100011216261 [0,1,0,0,0,0|3,0,0]=4 2636 B16R1.91 NCCCCOCC(=O)c1ccc(cc1)O 34a_100000750430_100009814261 [0,1,0,0,0,0|3,0,0]=4 2637 B16R1.91 NCCOCCCC(=O)c1ccc(cc1)Br 34a_100000210304_100000211046 [0,1,0,0,0,0|3,0,0]=4 2638 B16R1.91 Nc1ccc(cc1)C(=O)NCCOCCF 34a_100000740983_100011217306 [0,1,0,0,0,0|3,0,0]=4 2639 B16R1.91 Nc1ccc(cc1)C(=O)NCCOCCO 34a_100000740983_100000211926 [0,1,0,0,0,0|3,0,0]=4 2640 B16R1.91 O=C(CCCCCCF)c1ccc(cc1)Br 1458a_100000185839_100015922095 [0,1,0,0,0,0|2,0,0]=3 2641 B16R1.91 O=C(CCCCCCF)c1ccc(cc1)Cl 1458a_100000210187_100015922095 [0,1,0,0,0,0|2,0,0]=3 2642 B16R1.91 O=C(CCCCCCF)c1ccc(cc1)F 1458a_100000187176_100015922095 [0,1,0,0,0,0|2,0,0]=3 2643 B16R1.91 O=C(CCCCCCF)c1ccc(cc1)I 1458a_100000187904_100015922095 [0,1,0,0,0,0|2,0,0]=3 2644 B16R1.91 O=C(CCCCCCF)c1ccc(cc1)O 1458a_100000212099_100015922095 [0,1,0,0,0,0|2,0,0]=3 2645 B16R1.91 O=C(CCCCCCO)c1ccc(cc1)Br 1458a_100000185839_100000766143 [0,1,0,0,0,0|2,0,0]=3 2646 B16R1.91 O=C(CCCCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000766143 [0,1,0,0,0,0|2,0,0]=3 2647 B16R1.91 O=C(CCCCCCO)c1ccc(cc1)F 1458a_100000187176_100000766143 [0,1,0,0,0,0|2,0,0]=3 2648 B16R1.91 O=C(CCCCCCO)c1ccc(cc1)I 1458a_100000187904_100000766143 [0,1,0,0,0,0|2,0,0]=3 2649 B16R1.91 O=C(CCCCCCO)c1ccc(cc1)O 1458a_100000212099_100000766143 [0,1,0,0,0,0|2,0,0]=3 2650 B16R1.91 O=C(CCCNCCF)c1ccc(cc1)Br 34a_100000724931_100000211046 [0,1,0,0,0,0|3,0,0]=4 2651 B16R1.91 O=C(CCCNCCO)c1ccc(cc1)Br 2230a_100016997473_100000211046 [0,1,0,0,0,0|3,0,0]=4 2652 B16R1.91 O=C(CCCNCCO)c1ccc(cc1)Br 34a_100016990907_100000211046 [0,1,0,0,0,0|3,0,0]=4 2653 B16R1.91 O=C(CCCNCCO)c1ccc(cc1)F 2230a_100016997473_100000211961 [0,1,0,0,0,0|3,0,0]=4 2654 B16R1.91 O=C(CCCNCCO)c1ccc(cc1)O 2230a_100016997473_100000039620 [0,1,0,0,0,0|3,0,0]=4 2655 B16R1.91 O=C(CCCOCCBr)c1ccc(cc1)Br 34a_100000211926_100000211046 [0,1,0,0,0,0|3,0,0]=4 2656 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)Br 62a_100000211046_100011217306 [0,1,0,0,0,0|3,0,0]=4 2657 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)Br 62a_100011217306_100000211046 [0,1,0,0,0,0|3,0,0]=4 2658 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)Cl 62a_100011217306_200011217871 [0,1,0,0,0,0|3,0,0]=4 2659 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)Cl 62a_200011217871_100011217306 [0,1,0,0,0,0|3,0,0]=4 2660 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)F 62a_100000211961_100011217306 [0,1,0,0,0,0|3,0,0]=4 2661 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)F 62a_100011217306_100000211961 [0,1,0,0,0,0|3,0,0]=4 2662 B16R1.91 O=C(CCCSCCF)c1ccc(cc1)O 62a_100011217306_100000039620 [0,1,0,0,0,0|3,0,0]=4 2663 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)Br 62a_100000211046_100000211926 [0,1,0,0,0,0|3,0,0]=4 2664 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)Br 62a_100000211926_100000211046 [0,1,0,0,0,0|3,0,0]=4 2665 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)Cl 62a_100000211926_200011217871 [0,1,0,0,0,0|3,0,0]=4 2666 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)Cl 62a_200011217871_100000211926 [0,1,0,0,0,0|3,0,0]=4 2667 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)F 62a_100000211926_100000211961 [0,1,0,0,0,0|3,0,0]=4 2668 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)F 62a_100000211961_100000211926 [0,1,0,0,0,0|3,0,0]=4 2669 B16R1.91 O=C(CCCSCCO)c1ccc(cc1)O 62a_100000211926_100000039620 [0,1,0,0,0,0|3,0,0]=4 2670 B16R1.91 O=C(CCNCCCF)c1ccc(cc1)F 2230a_100015189416_100000211231 [0,1,0,0,0,0|3,0,0]=4 2671 B16R1.91 O=C(CCNCCCF)c1ccc(cc1)O 2230a_100015189416_100009879949 [0,1,0,0,0,0|3,0,0]=4 2672 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)Br 62a_100011215963_100011934791 [0,1,0,0,0,0|3,0,0]=4 2673 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)Br 62a_100011934791_100011215963 [0,1,0,0,0,0|3,0,0]=4 2674 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)Cl 62a_100011216492_100011934791 [0,1,0,0,0,0|3,0,0]=4 2675 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)Cl 62a_100011934791_100011216492 [0,1,0,0,0,0|3,0,0]=4 2676 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)F 62a_100000211231_100011934791 [0,1,0,0,0,0|3,0,0]=4 2677 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)F 62a_100011934791_100000211231 [0,1,0,0,0,0|3,0,0]=4 2678 B16R1.91 O=C(CCSCCCF)c1ccc(cc1)O 62a_100011934791_100009879949 [0,1,0,0,0,0|3,0,0]=4 2679 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)Br 62a_100011215043_100011215963 [0,1,0,0,0,0|3,0,0]=4 2680 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)Br 62a_100011215963_100011215043 [0,1,0,0,0,0|3,0,0]=4 2681 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)Cl 62a_100011215043_100011216492 [0,1,0,0,0,0|3,0,0]=4 2682 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)Cl 62a_100011216492_100011215043 [0,1,0,0,0,0|3,0,0]=4 2683 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)F 62a_100000211231_100011215043 [0,1,0,0,0,0|3,0,0]=4 2684 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)F 62a_100011215043_100000211231 [0,1,0,0,0,0|3,0,0]=4 2685 B16R1.91 O=C(CCSCCCO)c1ccc(cc1)O 62a_100011215043_100009879949 [0,1,0,0,0,0|3,0,0]=4 2686 B16R1.91 O=C(CNCCCCO)c1ccc(cc1)Br 34a_100000750430_100000188085 [0,1,0,0,0,0|3,0,0]=4 2687 B16R1.91 O=C(CNCCCCO)c1ccc(cc1)I 34a_100000750430_100011216261 [0,1,0,0,0,0|3,0,0]=4 2688 B16R1.91 O=C(CNCCCCO)c1ccc(cc1)O 34a_100000750430_100009814261 [0,1,0,0,0,0|3,0,0]=4 2689 B16R1.91 O=C(COCCCCBr)c1ccc(cc1)Br 34a_100011216708_100000188085 [0,1,0,0,0,0|3,0,0]=4 2690 B16R1.91 O=C(COCCCCBr)c1ccc(cc1)I 34a_100011216708_100011216261 [0,1,0,0,0,0|3,0,0]=4 2691 B16R1.91 O=C(COCCCCBr)c1ccc(cc1)O 34a_100011216708_100009814261 [0,1,0,0,0,0|3,0,0]=4 2692 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)Br 34a_100000210776_100000188085 [0,1,0,0,0,0|3,0,0]=4 2693 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)Br 7a_100000210776_100000188085 [0,1,0,0,0,0|3,0,0]=4 2694 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)Cl 7a_100000210776_100000211071 [0,1,0,0,0,0|3,0,0]=4 2695 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)F 7a_100000210776_100000211279 [0,1,0,0,0,0|3,0,0]=4 2696 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)I 34a_100000210776_100011216261 [0,1,0,0,0,0|3,0,0]=4 2697 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)I 7a_100000210776_100011216261 [0,1,0,0,0,0|3,0,0]=4 2698 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)O 34a_100000210776_100009814261 [0,1,0,0,0,0|3,0,0]=4 2699 B16R1.91 O=C(COCCCCCl)c1ccc(cc1)O 7a_100000210776_100000018856 [0,1,0,0,0,0|3,0,0]=4 2700 B16R1.91 O=C(COCCCCF)c1ccc(cc1)Br 34a_100011995726_100000188085 [0,1,0,0,0,0|3,0,0]=4 2701 B16R1.91 O=C(COCCCCF)c1ccc(cc1)Br 7a_100011995726_100000188085 [0,1,0,0,0,0|3,0,0]=4 2702 B16R1.91 O=C(COCCCCF)c1ccc(cc1)Cl 7a_100011995726_100000211071 [0,1,0,0,0,0|3,0,0]=4 2703 B16R1.91 O=C(COCCCCF)c1ccc(cc1)F 34a_100000246311_100000729493 [0,1,0,0,0,0|3,0,0]=4 2704 B16R1.91 O=C(COCCCCF)c1ccc(cc1)F 7a_100011995726_100000211279 [0,1,0,0,0,0|3,0,0]=4 2705 B16R1.91 O=C(COCCCCF)c1ccc(cc1)I 34a_100011995726_100011216261 [0,1,0,0,0,0|3,0,0]=4 2706 B16R1.91 O=C(COCCCCF)c1ccc(cc1)I 7a_100011995726_100011216261 [0,1,0,0,0,0|3,0,0]=4 2707 B16R1.91 O=C(COCCCCF)c1ccc(cc1)O 34a_100011995726_100009814261 [0,1,0,0,0,0|3,0,0]=4 2708 B16R1.91 O=C(COCCCCF)c1ccc(cc1)O 7a_100011995726_100000018856 [0,1,0,0,0,0|3,0,0]=4 2709 B16R1.91 O=C(COCCCCI)c1ccc(cc1)Br 34a_200012148704_100000188085 [0,1,0,0,0,0|3,0,0]=4 2710 B16R1.91 O=C(COCCCCI)c1ccc(cc1)I 34a_200012148704_100011216261 [0,1,0,0,0,0|3,0,0]=4 2711 B16R1.91 O=C(COCCCCI)c1ccc(cc1)O 34a_200012148704_100009814261 [0,1,0,0,0,0|3,0,0]=4 2712 B16R1.91 O=C(COCCCCO)c1ccc(cc1)F 34a_100000246311_100011216708 [0,1,0,0,0,0|3,0,0]=4 2713 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)Br 62a_100000188085_100000729493 [0,1,0,0,0,0|3,0,0]=4 2714 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)Cl 62a_100000211071_100000729493 [0,1,0,0,0,0|3,0,0]=4 2715 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)Cl 62a_100000729493_100000211071 [0,1,0,0,0,0|3,0,0]=4 2716 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)F 62a_100000211279_100000729493 [0,1,0,0,0,0|3,0,0]=4 2717 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)F 62a_100000729493_100000211279 [0,1,0,0,0,0|3,0,0]=4 2718 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)I 62a_100000729493_100011216261 [0,1,0,0,0,0|3,0,0]=4 2719 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)I 62a_100011216261_100000729493 [0,1,0,0,0,0|3,0,0]=4 2720 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)O 62a_100000729493_100009814261 [0,1,0,0,0,0|3,0,0]=4 2721 B16R1.91 O=C(CSCCCCF)c1ccc(cc1)O 62a_100009814261_100000729493 [0,1,0,0,0,0|3,0,0]=4 2722 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)Br 62a_100000188085_100000210776 [0,1,0,0,0,0|3,0,0]=4 2723 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)Cl 62a_100000210776_100000211071 [0,1,0,0,0,0|3,0,0]=4 2724 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)Cl 62a_100000211071_100000210776 [0,1,0,0,0,0|3,0,0]=4 2725 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)F 62a_100000210776_100000211279 [0,1,0,0,0,0|3,0,0]=4 2726 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)F 62a_100000211279_100000210776 [0,1,0,0,0,0|3,0,0]=4 2727 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)I 62a_100000210776_100011216261 [0,1,0,0,0,0|3,0,0]=4 2728 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)I 62a_100011216261_100000210776 [0,1,0,0,0,0|3,0,0]=4 2729 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)O 62a_100000210776_100009814261 [0,1,0,0,0,0|3,0,0]=4 2730 B16R1.91 O=C(CSCCCCO)c1ccc(cc1)O 62a_100009814261_100000210776 [0,1,0,0,0,0|3,0,0]=4 2731 B16R1.91 O=C(NCCCCCO)c1ccc(cc1)Br 240690a_100000762737_100000185839 [0,1,0,0,0,0|2,0,0]=3 2732 B16R1.91 O=C(NCCCCCO)c1ccc(cc1)Cl 240690a_100000762737_100000210187 [0,1,0,0,0,0|2,0,0]=3 2733 B16R1.91 O=C(NCCCCCO)c1ccc(cc1)F 240690a_100000762737_100000187176 [0,1,0,0,0,0|2,0,0]=3 2734 B16R1.91 O=C(NCCCCCO)c1ccc(cc1)I 240690a_100000762737_100000187904 [0,1,0,0,0,0|2,0,0]=3 2735 B16R1.91 O=C(NCCCCCO)c1ccc(cc1)O 240690a_100000762737_100000212099 [0,1,0,0,0,0|2,0,0]=3 2736 B16R1.91 O=C(NCCNCCF)c1ccc(cc1)Cl 2230a_100000736292_100011217306 [0,1,0,0,0,0|3,0,0]=4 2737 B16R1.91 O=C(NCCNCCF)c1ccc(cc1)Cl 34a_100000736292_100011217306 [0,1,0,0,0,0|3,0,0]=4 2738 B16R1.91 O=C(NCCNCCF)c1ccc(cc1)F 2230a_100000753910_100011217306 [0,1,0,0,0,0|3,0,0]=4 2739 B16R1.91 O=C(NCCNCCF)c1ccc(cc1)F 34a_100000753910_100011217306 [0,1,0,0,0,0|3,0,0]=4 2740 B16R1.91 O=C(NCCNCCO)c1ccc(cc1)Cl 2230a_100000736292_100000211926 [0,1,0,0,0,0|3,0,0]=4 2741 B16R1.91 O=C(NCCNCCO)c1ccc(cc1)Cl 34a_100000736292_100000211926 [0,1,0,0,0,0|3,0,0]=4 2742 B16R1.91 O=C(NCCNCCO)c1ccc(cc1)F 2230a_100000753910_100000211926 [0,1,0,0,0,0|3,0,0]=4 2743 B16R1.91 O=C(NCCNCCO)c1ccc(cc1)F 34a_100000753910_100000211926 [0,1,0,0,0,0|3,0,0]=4 2744 B16R1.91 O=C(NCCOCCF)c1ccc(cc1)Br 34a_200000158904_100011217306 [0,1,0,0,0,0|3,0,0]=4 2745 B16R1.91 O=C(NCCOCCO)c1ccc(cc1)Br 240690a_100000211614_100000185839 [0,1,0,0,0,0|3,0,0]=4 2746 B16R1.91 O=C(NCCOCCO)c1ccc(cc1)Br 34a_200000158904_100000211926 [0,1,0,0,0,0|3,0,0]=4 2747 B16R1.91 O=C(NCCOCCO)c1ccc(cc1)Cl 240690a_100000211614_100000210187 [0,1,0,0,0,0|3,0,0]=4 2748 B16R1.91 O=C(NCCOCCO)c1ccc(cc1)F 240690a_100000211614_100000187176 [0,1,0,0,0,0|3,0,0]=4 2749 B16R1.91 O=C(NCCOCCO)c1ccc(cc1)I 240690a_100000211614_100000187904 [0,1,0,0,0,0|3,0,0]=4 2750 B16R1.91 O=C(NCCOCCO)c1ccc(cc1)O 240690a_100000211614_100000212099 [0,1,0,0,0,0|3,0,0]=4 2751 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)Br 240690a_100011219999_100000185839 [0,1,0,0,0,0|3,0,0]=4 2752 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)Br 527a_100011219999_100000185839 [0,1,0,0,0,0|3,0,0]=4 2753 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)Cl 240690a_100011219999_100000210187 [0,1,0,0,0,0|3,0,0]=4 2754 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)Cl 527a_100011219999_100000210187 [0,1,0,0,0,0|3,0,0]=4 2755 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)F 240690a_100011219999_100000187176 [0,1,0,0,0,0|3,0,0]=4 2756 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)F 527a_100011219999_100000187176 [0,1,0,0,0,0|3,0,0]=4 2757 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)I 240690a_100011219999_100000187904 [0,1,0,0,0,0|3,0,0]=4 2758 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)I 527a_100011219999_100000187904 [0,1,0,0,0,0|3,0,0]=4 2759 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)O 240690a_100011219999_100000212099 [0,1,0,0,0,0|3,0,0]=4 2760 B16R1.91 O=C(NCCSCCO)c1ccc(cc1)O 527a_100011219999_100000212099 [0,1,0,0,0,0|3,0,0]=4 2761 B16R1.91 [2H]C(OCCCCCC)c1ccc(cc1)F 34a_217856618577_100000210314 [0,1,0,0,0,0|1,0,1]=3 2762 B16R1.91 [2H]C(OCCCCCC)c1ccc(cc1)F 7a_217856618577_100000210314 [0,1,0,0,0,0|1,0,1]=3 2763 B16R1.91 [2H]C(OCCCCCF)c1ccc(cc1)F 34a_217856618577_100000729378 [0,1,0,0,0,0|2,0,1]=4 2764 B16R1.91 [2H]C(OCCCCCF)c1ccc(cc1)F 7a_217856618577_100000729378 [0,1,0,0,0,0|2,0,1]=4 2765 B16R1.91 [2H]C(OCCCCCO)c1ccc(cc1)F 34a_217856618577_100000746330 [0,1,0,0,0,0|2,0,1]=4 2766 B16R1.91 [2H]C(OCCCCCO)c1ccc(cc1)F 7a_217856618577_100000746330 [0,1,0,0,0,0|2,0,1]=4 2767 B16R1.91 [2H]C(OCCCCOC)c1ccc(cc1)F 34a_217856618577_100000755781 [0,1,0,0,0,0|2,0,1]=4 2768 B16R1.91 [2H]C(OCCCCOC)c1ccc(cc1)F 7a_217856618577_100000730899 [0,1,0,0,0,0|2,0,1]=4 2769 B16R1.91 [2H]C(OCCCOCC)c1ccc(cc1)F 34a_217856618577_100012232248 [0,1,0,0,0,0|2,0,1]=4 2770 B16R1.91 [2H]C(OCCCOCC)c1ccc(cc1)F 7a_217856618577_100012232248 [0,1,0,0,0,0|2,0,1]=4 2771 B16R1.91 [2H]C(OCCOCCC)c1ccc(cc1)F 34a_217856618577_100011215938 [0,1,0,0,0,0|2,0,1]=4 2772 B16R1.91 [2H]C(OCCOCCC)c1ccc(cc1)F 7a_217856618577_100011215938 [0,1,0,0,0,0|2,0,1]=4 2773 B16R1.91 [2H]C(OCOCCCC)c1ccc(cc1)F 34a_217856618577_100011995733 [0,1,0,0,0,0|2,0,1]=4 2774 B16R1.92 C#CCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100012094781 [0,1,0,0,0,0|1,0,2]=4 2775 B16R1.92 C#CCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100012094781 [0,1,0,0,0,0|1,0,2]=4 2776 B16R1.92 C#CCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012094781 [0,1,0,0,0,0|1,0,2]=4 2777 B16R1.92 C#CCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100012094781 [0,1,0,0,0,0|1,0,2]=4 2778 B16R1.92 C#CCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100012094781 [0,1,0,0,0,0|1,0,2]=4 2779 B16R1.92 C#CCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100012094781 [0,1,0,0,0,0|1,0,2]=4 2780 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Br 11a_100000706060_100000210664 [0,1,0,0,0,0|1,0,2]=4 2781 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Br 1626a_100000706060_100000210664 [0,1,0,0,0,0|1,0,2]=4 2782 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Br 240690a_100000706060_100000210664 [0,1,0,0,0,0|1,0,2]=4 2783 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Br 527a_100000706060_100000210664 [0,1,0,0,0,0|1,0,2]=4 2784 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)C 11a_100000706060_100000189346 [0,1,0,0,0,0|1,0,2]=4 2785 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)C 1626a_100000706060_100000189346 [0,1,0,0,0,0|1,0,2]=4 2786 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)C 240690a_100000706060_100000189346 [0,1,0,0,0,0|1,0,2]=4 2787 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)C 527a_100000706060_100000189346 [0,1,0,0,0,0|1,0,2]=4 2788 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Cl 11a_100000706060_100000210390 [0,1,0,0,0,0|1,0,2]=4 2789 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Cl 1626a_100000706060_100000210390 [0,1,0,0,0,0|1,0,2]=4 2790 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Cl 240690a_100000706060_100000210390 [0,1,0,0,0,0|1,0,2]=4 2791 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)Cl 527a_100000706060_100000210390 [0,1,0,0,0,0|1,0,2]=4 2792 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)F 11a_100000706060_100000210950 [0,1,0,0,0,0|1,0,2]=4 2793 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)F 1626a_100000706060_100000210950 [0,1,0,0,0,0|1,0,2]=4 2794 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)F 240690a_100000706060_100000210950 [0,1,0,0,0,0|1,0,2]=4 2795 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)F 527a_100000706060_100000210950 [0,1,0,0,0,0|1,0,2]=4 2796 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)I 11a_100000706060_100000184098 [0,1,0,0,0,0|1,0,2]=4 2797 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)I 1626a_100000706060_100000184098 [0,1,0,0,0,0|1,0,2]=4 2798 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)I 240690a_100000706060_100000184098 [0,1,0,0,0,0|1,0,2]=4 2799 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)I 527a_100000706060_100000184098 [0,1,0,0,0,0|1,0,2]=4 2800 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)O 240690a_100000706060_100000183914 [0,1,0,0,0,0|1,0,2]=4 2801 B16R1.92 C#CCCCCNC(=O)c1cccc(c1)O 527a_100000706060_100000183914 [0,1,0,0,0,0|1,0,2]=4 2802 B16R1.92 C=CCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000700193 [0,1,0,0,0,0|1,0,2]=4 2803 B16R1.92 C=CCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000700193 [0,1,0,0,0,0|1,0,2]=4 2804 B16R1.92 C=CCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000700193 [0,1,0,0,0,0|1,0,2]=4 2805 B16R1.92 C=CCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000700193 [0,1,0,0,0,0|1,0,2]=4 2806 B16R1.92 C=CCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000700193 [0,1,0,0,0,0|1,0,2]=4 2807 B16R1.92 C=CCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000700193 [0,1,0,0,0,0|1,0,2]=4 2808 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Br 11a_100000703577_100000210664 [0,1,0,0,0,0|1,0,2]=4 2809 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Br 1626a_100000703577_100000210664 [0,1,0,0,0,0|1,0,2]=4 2810 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Br 240690a_100000703577_100000210664 [0,1,0,0,0,0|1,0,2]=4 2811 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Br 527a_100000703577_100000210664 [0,1,0,0,0,0|1,0,2]=4 2812 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)C 11a_100000703577_100000189346 [0,1,0,0,0,0|1,0,2]=4 2813 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)C 1626a_100000703577_100000189346 [0,1,0,0,0,0|1,0,2]=4 2814 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)C 240690a_100000703577_100000189346 [0,1,0,0,0,0|1,0,2]=4 2815 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)C 527a_100000703577_100000189346 [0,1,0,0,0,0|1,0,2]=4 2816 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Cl 11a_100000703577_100000210390 [0,1,0,0,0,0|1,0,2]=4 2817 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Cl 1626a_100000703577_100000210390 [0,1,0,0,0,0|1,0,2]=4 2818 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Cl 240690a_100000703577_100000210390 [0,1,0,0,0,0|1,0,2]=4 2819 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)Cl 527a_100000703577_100000210390 [0,1,0,0,0,0|1,0,2]=4 2820 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)F 11a_100000703577_100000210950 [0,1,0,0,0,0|1,0,2]=4 2821 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)F 1626a_100000703577_100000210950 [0,1,0,0,0,0|1,0,2]=4 2822 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)F 240690a_100000703577_100000210950 [0,1,0,0,0,0|1,0,2]=4 2823 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)F 527a_100000703577_100000210950 [0,1,0,0,0,0|1,0,2]=4 2824 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)I 11a_100000703577_100000184098 [0,1,0,0,0,0|1,0,2]=4 2825 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)I 1626a_100000703577_100000184098 [0,1,0,0,0,0|1,0,2]=4 2826 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)I 240690a_100000703577_100000184098 [0,1,0,0,0,0|1,0,2]=4 2827 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)I 527a_100000703577_100000184098 [0,1,0,0,0,0|1,0,2]=4 2828 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)O 240690a_100000703577_100000183914 [0,1,0,0,0,0|1,0,2]=4 2829 B16R1.92 C=CCCCCNC(=O)c1cccc(c1)O 527a_100000703577_100000183914 [0,1,0,0,0,0|1,0,2]=4 2830 B16R1.92 CC(OCCCCCF)c1cccc(c1)Br 34a_100000246457_100000729378 [0,1,0,0,0,0|2,0,1]=4 2831 B16R1.92 CC(OCCCCCF)c1cccc(c1)Br 7a_100000246457_100000729378 [0,1,0,0,0,0|2,0,1]=4 2832 B16R1.92 CC(OCCCCCF)c1cccc(c1)F 34a_100000744526_100000729378 [0,1,0,0,0,0|2,0,1]=4 2833 B16R1.92 CC(OCCCCCF)c1cccc(c1)F 7a_100000744526_100000729378 [0,1,0,0,0,0|2,0,1]=4 2834 B16R1.92 CC(OCCCCCF)c1cccc(c1)I 34a_100013085317_100000729378 [0,1,0,0,0,0|2,0,1]=4 2835 B16R1.92 CC(OCCCCCF)c1cccc(c1)I 7a_100013085317_100000729378 [0,1,0,0,0,0|2,0,1]=4 2836 B16R1.92 CC(OCCCCCF)c1cccc(c1)N 34a_100011217120_100000729378 [0,1,0,0,0,0|2,0,1]=4 2837 B16R1.92 CC(OCCCCCF)c1cccc(c1)N 7a_100011217120_100000729378 [0,1,0,0,0,0|2,0,1]=4 2838 B16R1.92 CC(OCCCCCO)c1cccc(c1)Br 34a_100000246457_100000746330 [0,1,0,0,0,0|2,0,1]=4 2839 B16R1.92 CC(OCCCCCO)c1cccc(c1)Br 7a_100000246457_100000746330 [0,1,0,0,0,0|2,0,1]=4 2840 B16R1.92 CC(OCCCCCO)c1cccc(c1)F 34a_100000744526_100000746330 [0,1,0,0,0,0|2,0,1]=4 2841 B16R1.92 CC(OCCCCCO)c1cccc(c1)F 7a_100000744526_100000746330 [0,1,0,0,0,0|2,0,1]=4 2842 B16R1.92 CC(OCCCCCO)c1cccc(c1)I 34a_100013085317_100000746330 [0,1,0,0,0,0|2,0,1]=4 2843 B16R1.92 CC(OCCCCCO)c1cccc(c1)I 7a_100013085317_100000746330 [0,1,0,0,0,0|2,0,1]=4 2844 B16R1.92 CC(OCCCCCO)c1cccc(c1)N 34a_100011217120_100000746330 [0,1,0,0,0,0|2,0,1]=4 2845 B16R1.92 CC(OCCCCCO)c1cccc(c1)N 7a_100011217120_100000746330 [0,1,0,0,0,0|2,0,1]=4 2846 B16R1.92 CCCCC=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000210104 [0,1,0,0,0,0|2,0,1]=4 2847 B16R1.92 CCCCC=NNC(=O)c1cccc(c1)C 4a_100000189845_100000210104 [0,1,0,0,0,0|2,0,1]=4 2848 B16R1.92 CCCCC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000210104 [0,1,0,0,0,0|2,0,1]=4 2849 B16R1.92 CCCCC=NNC(=O)c1cccc(c1)F 4a_100000189798_100000210104 [0,1,0,0,0,0|2,0,1]=4 2850 B16R1.92 CCCCC=NNC(=O)c1cccc(c1)I 4a_100000186306_100000210104 [0,1,0,0,0,0|2,0,1]=4 2851 B16R1.92 CCCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210614 [0,1,0,0,0,0|1,0,0]=2 2852 B16R1.92 CCCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210614 [0,1,0,0,0,0|1,0,0]=2 2853 B16R1.92 CCCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210614 [0,1,0,0,0,0|1,0,0]=2 2854 B16R1.92 CCCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210614 [0,1,0,0,0,0|1,0,0]=2 2855 B16R1.92 CCCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210614 [0,1,0,0,0,0|1,0,0]=2 2856 B16R1.92 CCCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210614 [0,1,0,0,0,0|1,0,0]=2 2857 B16R1.92 CCCCCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210681 [0,1,0,0,0,0|3,0,0]=4 2858 B16R1.92 CCCCCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210681 [0,1,0,0,0,0|3,0,0]=4 2859 B16R1.92 CCCCCCCN(C)c1cccc(c1)Br 34a_100000219648_100000210614 [0,1,0,0,0,0|3,0,0]=4 2860 B16R1.92 CCCCCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210681 [0,1,0,0,0,0|3,0,0]=4 2861 B16R1.92 CCCCCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210681 [0,1,0,0,0,0|3,0,0]=4 2862 B16R1.92 CCCCCCCN(C)c1cccc(c1)C 34a_100000219674_100000210614 [0,1,0,0,0,0|3,0,0]=4 2863 B16R1.92 CCCCCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210681 [0,1,0,0,0,0|3,0,0]=4 2864 B16R1.92 CCCCCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210681 [0,1,0,0,0,0|3,0,0]=4 2865 B16R1.92 CCCCCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210614 [0,1,0,0,0,0|3,0,0]=4 2866 B16R1.92 CCCCCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210681 [0,1,0,0,0,0|3,0,0]=4 2867 B16R1.92 CCCCCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210681 [0,1,0,0,0,0|3,0,0]=4 2868 B16R1.92 CCCCCCCN(C)c1cccc(c1)F 34a_100020633736_100000210614 [0,1,0,0,0,0|3,0,0]=4 2869 B16R1.92 CCCCCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210681 [0,1,0,0,0,0|3,0,0]=4 2870 B16R1.92 CCCCCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210681 [0,1,0,0,0,0|3,0,0]=4 2871 B16R1.92 CCCCCCCN(C)c1cccc(c1)I 34a_100000221217_100000210614 [0,1,0,0,0,0|3,0,0]=4 2872 B16R1.92 CCCCCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210681 [0,1,0,0,0,0|3,0,0]=4 2873 B16R1.92 CCCCCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210681 [0,1,0,0,0,0|3,0,0]=4 2874 B16R1.92 CCCCCCCN(C)c1cccc(c1)O 34a_100000756613_100000210614 [0,1,0,0,0,0|3,0,0]=4 2875 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Br 11a_100000210581_100000210664 [0,1,0,0,0,0|1,0,0]=2 2876 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Br 1626a_100000210581_100000210664 [0,1,0,0,0,0|1,0,0]=2 2877 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Br 240690a_100000210581_100000210664 [0,1,0,0,0,0|1,0,0]=2 2878 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Br 527a_100000210581_100000210664 [0,1,0,0,0,0|1,0,0]=2 2879 B16R1.92 CCCCCCNC(=O)c1cccc(c1)C 11a_100000210581_100000189346 [0,1,0,0,0,0|1,0,0]=2 2880 B16R1.92 CCCCCCNC(=O)c1cccc(c1)C 1626a_100000210581_100000189346 [0,1,0,0,0,0|1,0,0]=2 2881 B16R1.92 CCCCCCNC(=O)c1cccc(c1)C 240690a_100000210581_100000189346 [0,1,0,0,0,0|1,0,0]=2 2882 B16R1.92 CCCCCCNC(=O)c1cccc(c1)C 527a_100000210581_100000189346 [0,1,0,0,0,0|1,0,0]=2 2883 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Cl 11a_100000210581_100000210390 [0,1,0,0,0,0|1,0,0]=2 2884 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Cl 1626a_100000210581_100000210390 [0,1,0,0,0,0|1,0,0]=2 2885 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Cl 240690a_100000210581_100000210390 [0,1,0,0,0,0|1,0,0]=2 2886 B16R1.92 CCCCCCNC(=O)c1cccc(c1)Cl 527a_100000210581_100000210390 [0,1,0,0,0,0|1,0,0]=2 2887 B16R1.92 CCCCCCNC(=O)c1cccc(c1)F 11a_100000210581_100000210950 [0,1,0,0,0,0|1,0,0]=2 2888 B16R1.92 CCCCCCNC(=O)c1cccc(c1)F 1626a_100000210581_100000210950 [0,1,0,0,0,0|1,0,0]=2 2889 B16R1.92 CCCCCCNC(=O)c1cccc(c1)F 240690a_100000210581_100000210950 [0,1,0,0,0,0|1,0,0]=2 2890 B16R1.92 CCCCCCNC(=O)c1cccc(c1)F 527a_100000210581_100000210950 [0,1,0,0,0,0|1,0,0]=2 2891 B16R1.92 CCCCCCNC(=O)c1cccc(c1)I 11a_100000210581_100000184098 [0,1,0,0,0,0|1,0,0]=2 2892 B16R1.92 CCCCCCNC(=O)c1cccc(c1)I 1626a_100000210581_100000184098 [0,1,0,0,0,0|1,0,0]=2 2893 B16R1.92 CCCCCCNC(=O)c1cccc(c1)I 240690a_100000210581_100000184098 [0,1,0,0,0,0|1,0,0]=2 2894 B16R1.92 CCCCCCNC(=O)c1cccc(c1)I 527a_100000210581_100000184098 [0,1,0,0,0,0|1,0,0]=2 2895 B16R1.92 CCCCCCNC(=O)c1cccc(c1)O 240690a_100000210581_100000183914 [0,1,0,0,0,0|1,0,0]=2 2896 B16R1.92 CCCCCCNC(=O)c1cccc(c1)O 527a_100000210581_100000183914 [0,1,0,0,0,0|1,0,0]=2 2897 B16R1.92 CCCCCCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210314 [0,1,0,0,0,0|2,0,1]=4 2898 B16R1.92 CCCCCCNC(C)c1cccc(c1)Br 269862a_100000210581_100000210093 [0,1,0,0,0,0|2,0,1]=4 2899 B16R1.92 CCCCCCNC(C)c1cccc(c1)C 269862a_100000210581_100000211476 [0,1,0,0,0,0|2,0,1]=4 2900 B16R1.92 CCCCCCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210314 [0,1,0,0,0,0|2,0,1]=4 2901 B16R1.92 CCCCCCNC(C)c1cccc(c1)Cl 269862a_100000210581_200000210964 [0,1,0,0,0,0|2,0,1]=4 2902 B16R1.92 CCCCCCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210314 [0,1,0,0,0,0|2,0,1]=4 2903 B16R1.92 CCCCCCNC(C)c1cccc(c1)F 269862a_100000210581_100000187083 [0,1,0,0,0,0|2,0,1]=4 2904 B16R1.92 CCCCCCNC(C)c1cccc(c1)I 269862a_100000210581_100011356966 [0,1,0,0,0,0|2,0,1]=4 2905 B16R1.92 CCCCCCNC(C)c1cccc(c1)O 2230a_100000740644_100000210314 [0,1,0,0,0,0|2,0,1]=4 2906 B16R1.92 CCCCCCNC(C)c1cccc(c1)O 269862a_100000210581_100000211620 [0,1,0,0,0,0|2,0,1]=4 2907 B16R1.92 CCCCCCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210314 [0,1,0,0,0,0|2,0,1]=4 2908 B16R1.92 CCCCCCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210314 [0,1,0,0,0,0|2,0,1]=4 2909 B16R1.92 CCCCCCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210314 [0,1,0,0,0,0|2,0,1]=4 2910 B16R1.92 CCCCCCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210314 [0,1,0,0,0,0|2,0,1]=4 2911 B16R1.92 CCCCCCOC(C)c1cc(ccn1)Cl 7a_100000144657_100000210314 [0,1,0,0,0,0|2,0,1]=4 2912 B16R1.92 CCCCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210314 [0,1,0,0,0,0|1,0,1]=3 2913 B16R1.92 CCCCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210314 [0,1,0,0,0,0|1,0,1]=3 2914 B16R1.92 CCCCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210314 [0,1,0,0,0,0|1,0,1]=3 2915 B16R1.92 CCCCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210314 [0,1,0,0,0,0|1,0,1]=3 2916 B16R1.92 CCCCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210314 [0,1,0,0,0,0|1,0,1]=3 2917 B16R1.92 CCCCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210314 [0,1,0,0,0,0|1,0,1]=3 2918 B16R1.92 CCCCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210314 [0,1,0,0,0,0|1,0,1]=3 2919 B16R1.92 CCCCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210314 [0,1,0,0,0,0|1,0,1]=3 2920 B16R1.92 CCCCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210314 [0,1,0,0,0,0|1,0,1]=3 2921 B16R1.92 CCCCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210314 [0,1,0,0,0,0|1,0,1]=3 2922 B16R1.92 CCCCCCOC(C)c1cccc(n1)Br 7a_100009820884_100000210314 [0,1,0,0,0,0|2,0,1]=4 2923 B16R1.92 CCCCCCOC(C)c1cccc(n1)C 34a_200011877368_100000210314 [0,1,0,0,0,0|2,0,1]=4 2924 B16R1.92 CCCCCCOC(C)c1cccc(n1)C 7a_200011877368_100000210314 [0,1,0,0,0,0|2,0,1]=4 2925 B16R1.92 CCCCCCOC(C)c1cncc(c1)Br 34a_100012351597_100000210314 [0,1,0,0,0,0|2,0,1]=4 2926 B16R1.92 CCCCCCOC(C)c1cncc(c1)Br 7a_100012351597_100000210314 [0,1,0,0,0,0|2,0,1]=4 2927 B16R1.92 CCCCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210314 [0,1,0,0,0,0|1,0,1]=3 2928 B16R1.92 CCCCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210314 [0,1,0,0,0,0|1,0,1]=3 2929 B16R1.92 CCCCCNCC(=O)c1cccc(c1)Br 2230a_100000209983_100000212080 [0,1,0,0,0,0|2,0,0]=3 2930 B16R1.92 CCCCCNCC(=O)c1cccc(c1)C 2230a_100000209983_100000739480 [0,1,0,0,0,0|2,0,0]=3 2931 B16R1.92 CCCCCNCC(=O)c1cccc(c1)Cl 2230a_100000209983_100000211444 [0,1,0,0,0,0|2,0,0]=3 2932 B16R1.92 CCCCCNCC(=O)c1cccc(c1)F 2230a_100000209983_100000215616 [0,1,0,0,0,0|2,0,0]=3 2933 B16R1.92 CCCCCNN=C(C)c1cccc(c1)Br 4a_100000694160_100000210093 [0,1,0,0,0,0|3,0,0]=4 2934 B16R1.92 CCCCCNN=C(C)c1cccc(c1)C 4a_100000694160_100000211476 [0,1,0,0,0,0|3,0,0]=4 2935 B16R1.92 CCCCCNN=C(C)c1cccc(c1)Cl 4a_100000694160_200000210964 [0,1,0,0,0,0|3,0,0]=4 2936 B16R1.92 CCCCCNN=C(C)c1cccc(c1)F 4a_100000694160_100000187083 [0,1,0,0,0,0|3,0,0]=4 2937 B16R1.92 CCCCCNN=C(C)c1cccc(c1)I 4a_100000694160_100011356966 [0,1,0,0,0,0|3,0,0]=4 2938 B16R1.92 CCCCCNN=C(C)c1cccc(c1)O 4a_100000694160_100000211620 [0,1,0,0,0,0|3,0,0]=4 2939 B16R1.92 CCCCCNNC(=O)c1cccc(c1)Br 22a_100000694160_100000210664 [0,1,0,0,0,0|2,0,0]=3 2940 B16R1.92 CCCCCNNC(=O)c1cccc(c1)C 22a_100000694160_100000189346 [0,1,0,0,0,0|2,0,0]=3 2941 B16R1.92 CCCCCNNC(=O)c1cccc(c1)Cl 22a_100000694160_100000210390 [0,1,0,0,0,0|2,0,0]=3 2942 B16R1.92 CCCCCNNC(=O)c1cccc(c1)F 22a_100000694160_100000210950 [0,1,0,0,0,0|2,0,0]=3 2943 B16R1.92 CCCCCNNC(=O)c1cccc(c1)I 22a_100000694160_100000184098 [0,1,0,0,0,0|2,0,0]=3 2944 B16R1.92 CCCCCNNC(=O)c1cccc(c1)O 22a_100000694160_100000183914 [0,1,0,0,0,0|2,0,0]=3 2945 B16R1.92 CCCCCOCC(=O)c1cccc(c1)Br 34a_100000210253_100000212080 [0,1,0,0,0,0|2,0,0]=3 2946 B16R1.92 CCCCCOCC(=O)c1cccc(c1)Br 7a_100000210253_100000212080 [0,1,0,0,0,0|2,0,0]=3 2947 B16R1.92 CCCCCOCC(=O)c1cccc(c1)C 34a_100000210253_100000739480 [0,1,0,0,0,0|2,0,0]=3 2948 B16R1.92 CCCCCOCC(=O)c1cccc(c1)C 7a_100000210253_100000739480 [0,1,0,0,0,0|2,0,0]=3 2949 B16R1.92 CCCCCOCC(=O)c1cccc(c1)Cl 34a_100000210253_100000211444 [0,1,0,0,0,0|2,0,0]=3 2950 B16R1.92 CCCCCOCC(=O)c1cccc(c1)Cl 7a_100000210253_100000211444 [0,1,0,0,0,0|2,0,0]=3 2951 B16R1.92 CCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210326 [0,1,0,0,0,0|2,0,0]=3 2952 B16R1.92 CCCCCOCC(=O)c1cccc(c1)F 34a_100000210253_100000215616 [0,1,0,0,0,0|2,0,0]=3 2953 B16R1.92 CCCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000718602 [0,1,0,0,0,0|2,0,0]=3 2954 B16R1.92 CCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210326 [0,1,0,0,0,0|2,0,0]=3 2955 B16R1.92 CCCCCOCC(=O)c1cccc(c1)O 34a_100000210253_100009813753 [0,1,0,0,0,0|2,0,0]=3 2956 B16R1.92 CCCCCOCC(=O)c1cccc(c1)O 7a_100000210253_100009813753 [0,1,0,0,0,0|2,0,0]=3 2957 B16R1.92 CCCCCSCC(=O)c1cccc(c1)Br 62a_100000210326_100000212080 [0,1,0,0,0,0|2,0,0]=3 2958 B16R1.92 CCCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210326 [0,1,0,0,0,0|2,0,0]=3 2959 B16R1.92 CCCCCSCC(=O)c1cccc(c1)C 62a_100000210326_100000739480 [0,1,0,0,0,0|2,0,0]=3 2960 B16R1.92 CCCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210326 [0,1,0,0,0,0|2,0,0]=3 2961 B16R1.92 CCCCCSCC(=O)c1cccc(c1)Cl 62a_100000210326_100000211444 [0,1,0,0,0,0|2,0,0]=3 2962 B16R1.92 CCCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210326 [0,1,0,0,0,0|2,0,0]=3 2963 B16R1.92 CCCCCSCC(=O)c1cccc(c1)F 62a_100000210326_100000215616 [0,1,0,0,0,0|2,0,0]=3 2964 B16R1.92 CCCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210326 [0,1,0,0,0,0|2,0,0]=3 2965 B16R1.92 CCCCCSCC(=O)c1cccc(c1)O 62a_100000210326_100009813753 [0,1,0,0,0,0|2,0,0]=3 2966 B16R1.92 CCCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210326 [0,1,0,0,0,0|2,0,0]=3 2967 B16R1.92 CCCCCSCC(=O)c1ccnc(c1)Cl 62a_100000210326_100009817076 [0,1,0,0,0,0|3,0,0]=4 2968 B16R1.92 CCCCCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210326 [0,1,0,0,0,0|3,0,0]=4 2969 B16R1.92 CCCCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000743108 [0,1,0,0,0,0|2,0,0]=3 2970 B16R1.92 CCCCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100000743108 [0,1,0,0,0,0|2,0,0]=3 2971 B16R1.92 CCCCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000743108 [0,1,0,0,0,0|2,0,0]=3 2972 B16R1.92 CCCCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100000743108 [0,1,0,0,0,0|2,0,0]=3 2973 B16R1.92 CCCCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100000743108 [0,1,0,0,0,0|2,0,0]=3 2974 B16R1.92 CCCCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100000743108 [0,1,0,0,0,0|2,0,0]=3 2975 B16R1.92 CCCCOCOC(C)c1cccc(c1)Br 34a_100000246457_100011995733 [0,1,0,0,0,0|2,0,1]=4 2976 B16R1.92 CCCCOCOC(C)c1cccc(c1)C 34a_100000757818_100011995733 [0,1,0,0,0,0|2,0,1]=4 2977 B16R1.92 CCCCOCOC(C)c1cccc(c1)F 34a_100000744526_100011995733 [0,1,0,0,0,0|2,0,1]=4 2978 B16R1.92 CCCCOCOC(C)c1cccc(c1)I 34a_100013085317_100011995733 [0,1,0,0,0,0|2,0,1]=4 2979 B16R1.92 CCCCOCOC(C)c1cccc(c1)N 34a_100011217120_100011995733 [0,1,0,0,0,0|2,0,1]=4 2980 B16R1.92 CCCCOCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011995733 [0,1,0,0,0,0|2,0,1]=4 2981 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Br 1626a_100161115042_100000210664 [0,1,0,0,0,0|2,0,0]=3 2982 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Br 240690a_100161115042_100000210664 [0,1,0,0,0,0|2,0,0]=3 2983 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000210303 [0,1,0,0,0,0|2,0,0]=3 2984 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Br 527a_100161115042_100000210664 [0,1,0,0,0,0|2,0,0]=3 2985 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000210303 [0,1,0,0,0,0|2,0,0]=3 2986 B16R1.92 CCCOCCNC(=O)c1cccc(c1)C 1626a_100161115042_100000189346 [0,1,0,0,0,0|2,0,0]=3 2987 B16R1.92 CCCOCCNC(=O)c1cccc(c1)C 240690a_100161115042_100000189346 [0,1,0,0,0,0|2,0,0]=3 2988 B16R1.92 CCCOCCNC(=O)c1cccc(c1)C 527a_100161115042_100000189346 [0,1,0,0,0,0|2,0,0]=3 2989 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Cl 1626a_100161115042_100000210390 [0,1,0,0,0,0|2,0,0]=3 2990 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Cl 240690a_100161115042_100000210390 [0,1,0,0,0,0|2,0,0]=3 2991 B16R1.92 CCCOCCNC(=O)c1cccc(c1)Cl 527a_100161115042_100000210390 [0,1,0,0,0,0|2,0,0]=3 2992 B16R1.92 CCCOCCNC(=O)c1cccc(c1)F 1626a_100161115042_100000210950 [0,1,0,0,0,0|2,0,0]=3 2993 B16R1.92 CCCOCCNC(=O)c1cccc(c1)F 240690a_100161115042_100000210950 [0,1,0,0,0,0|2,0,0]=3 2994 B16R1.92 CCCOCCNC(=O)c1cccc(c1)F 527a_100161115042_100000210950 [0,1,0,0,0,0|2,0,0]=3 2995 B16R1.92 CCCOCCNC(=O)c1cccc(c1)I 1626a_100161115042_100000184098 [0,1,0,0,0,0|2,0,0]=3 2996 B16R1.92 CCCOCCNC(=O)c1cccc(c1)I 240690a_100161115042_100000184098 [0,1,0,0,0,0|2,0,0]=3 2997 B16R1.92 CCCOCCNC(=O)c1cccc(c1)I 527a_100161115042_100000184098 [0,1,0,0,0,0|2,0,0]=3 2998 B16R1.92 CCCOCCNC(=O)c1cccc(c1)O 240690a_100161115042_100000183914 [0,1,0,0,0,0|2,0,0]=3 2999 B16R1.92 CCCOCCNC(=O)c1cccc(c1)O 527a_100161115042_100000183914 [0,1,0,0,0,0|2,0,0]=3 3000 B16R1.92 CCCOCCOC(C)c1cccc(c1)Br 34a_100000246457_100011215938 [0,1,0,0,0,0|2,0,1]=4 3001 B16R1.92 CCCOCCOC(C)c1cccc(c1)Br 7a_100000246457_100011215938 [0,1,0,0,0,0|2,0,1]=4 3002 B16R1.92 CCCOCCOC(C)c1cccc(c1)C 34a_100000757818_100011215938 [0,1,0,0,0,0|2,0,1]=4 3003 B16R1.92 CCCOCCOC(C)c1cccc(c1)C 7a_100000757818_100011215938 [0,1,0,0,0,0|2,0,1]=4 3004 B16R1.92 CCCOCCOC(C)c1cccc(c1)F 34a_100000744526_100011215938 [0,1,0,0,0,0|2,0,1]=4 3005 B16R1.92 CCCOCCOC(C)c1cccc(c1)F 7a_100000744526_100011215938 [0,1,0,0,0,0|2,0,1]=4 3006 B16R1.92 CCCOCCOC(C)c1cccc(c1)I 34a_100013085317_100011215938 [0,1,0,0,0,0|2,0,1]=4 3007 B16R1.92 CCCOCCOC(C)c1cccc(c1)I 7a_100013085317_100011215938 [0,1,0,0,0,0|2,0,1]=4 3008 B16R1.92 CCCOCCOC(C)c1cccc(c1)N 34a_100011217120_100011215938 [0,1,0,0,0,0|2,0,1]=4 3009 B16R1.92 CCCOCCOC(C)c1cccc(c1)N 7a_100011217120_100011215938 [0,1,0,0,0,0|2,0,1]=4 3010 B16R1.92 CCCOCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011215938 [0,1,0,0,0,0|2,0,1]=4 3011 B16R1.92 CCCOCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100011215938 [0,1,0,0,0,0|2,0,1]=4 3012 B16R1.92 CCCSCCNC(=O)c1cccc(c1)Br 11a_100020603323_100000210664 [0,1,0,0,0,0|2,0,0]=3 3013 B16R1.92 CCCSCCNC(=O)c1cccc(c1)Br 240690a_100020603323_100000210664 [0,1,0,0,0,0|2,0,0]=3 3014 B16R1.92 CCCSCCNC(=O)c1cccc(c1)Br 527a_100020603323_100000210664 [0,1,0,0,0,0|2,0,0]=3 3015 B16R1.92 CCCSCCNC(=O)c1cccc(c1)C 11a_100020603323_100000189346 [0,1,0,0,0,0|2,0,0]=3 3016 B16R1.92 CCCSCCNC(=O)c1cccc(c1)C 240690a_100020603323_100000189346 [0,1,0,0,0,0|2,0,0]=3 3017 B16R1.92 CCCSCCNC(=O)c1cccc(c1)C 527a_100020603323_100000189346 [0,1,0,0,0,0|2,0,0]=3 3018 B16R1.92 CCCSCCNC(=O)c1cccc(c1)Cl 11a_100020603323_100000210390 [0,1,0,0,0,0|2,0,0]=3 3019 B16R1.92 CCCSCCNC(=O)c1cccc(c1)Cl 240690a_100020603323_100000210390 [0,1,0,0,0,0|2,0,0]=3 3020 B16R1.92 CCCSCCNC(=O)c1cccc(c1)Cl 527a_100020603323_100000210390 [0,1,0,0,0,0|2,0,0]=3 3021 B16R1.92 CCCSCCNC(=O)c1cccc(c1)F 11a_100020603323_100000210950 [0,1,0,0,0,0|2,0,0]=3 3022 B16R1.92 CCCSCCNC(=O)c1cccc(c1)F 240690a_100020603323_100000210950 [0,1,0,0,0,0|2,0,0]=3 3023 B16R1.92 CCCSCCNC(=O)c1cccc(c1)F 527a_100020603323_100000210950 [0,1,0,0,0,0|2,0,0]=3 3024 B16R1.92 CCCSCCNC(=O)c1cccc(c1)I 11a_100020603323_100000184098 [0,1,0,0,0,0|2,0,0]=3 3025 B16R1.92 CCCSCCNC(=O)c1cccc(c1)I 240690a_100020603323_100000184098 [0,1,0,0,0,0|2,0,0]=3 3026 B16R1.92 CCCSCCNC(=O)c1cccc(c1)I 527a_100020603323_100000184098 [0,1,0,0,0,0|2,0,0]=3 3027 B16R1.92 CCCSCCNC(=O)c1cccc(c1)O 240690a_100020603323_100000183914 [0,1,0,0,0,0|2,0,0]=3 3028 B16R1.92 CCCSCCNC(=O)c1cccc(c1)O 527a_100020603323_100000183914 [0,1,0,0,0,0|2,0,0]=3 3029 B16R1.92 CCNCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_100000210202 [0,1,0,0,0,0|2,0,0]=3 3030 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Br 11a_100000210961_100000210664 [0,1,0,0,0,0|2,0,0]=3 3031 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Br 1626a_100000210961_100000210664 [0,1,0,0,0,0|2,0,0]=3 3032 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Br 240690a_100000210961_100000210664 [0,1,0,0,0,0|2,0,0]=3 3033 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Br 527a_100000210961_100000210664 [0,1,0,0,0,0|2,0,0]=3 3034 B16R1.92 CCOCCCNC(=O)c1cccc(c1)C 11a_100000210961_100000189346 [0,1,0,0,0,0|2,0,0]=3 3035 B16R1.92 CCOCCCNC(=O)c1cccc(c1)C 1626a_100000210961_100000189346 [0,1,0,0,0,0|2,0,0]=3 3036 B16R1.92 CCOCCCNC(=O)c1cccc(c1)C 240690a_100000210961_100000189346 [0,1,0,0,0,0|2,0,0]=3 3037 B16R1.92 CCOCCCNC(=O)c1cccc(c1)C 527a_100000210961_100000189346 [0,1,0,0,0,0|2,0,0]=3 3038 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Cl 11a_100000210961_100000210390 [0,1,0,0,0,0|2,0,0]=3 3039 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Cl 1626a_100000210961_100000210390 [0,1,0,0,0,0|2,0,0]=3 3040 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Cl 240690a_100000210961_100000210390 [0,1,0,0,0,0|2,0,0]=3 3041 B16R1.92 CCOCCCNC(=O)c1cccc(c1)Cl 527a_100000210961_100000210390 [0,1,0,0,0,0|2,0,0]=3 3042 B16R1.92 CCOCCCNC(=O)c1cccc(c1)F 11a_100000210961_100000210950 [0,1,0,0,0,0|2,0,0]=3 3043 B16R1.92 CCOCCCNC(=O)c1cccc(c1)F 1626a_100000210961_100000210950 [0,1,0,0,0,0|2,0,0]=3 3044 B16R1.92 CCOCCCNC(=O)c1cccc(c1)F 240690a_100000210961_100000210950 [0,1,0,0,0,0|2,0,0]=3 3045 B16R1.92 CCOCCCNC(=O)c1cccc(c1)F 527a_100000210961_100000210950 [0,1,0,0,0,0|2,0,0]=3 3046 B16R1.92 CCOCCCNC(=O)c1cccc(c1)I 11a_100000210961_100000184098 [0,1,0,0,0,0|2,0,0]=3 3047 B16R1.92 CCOCCCNC(=O)c1cccc(c1)I 1626a_100000210961_100000184098 [0,1,0,0,0,0|2,0,0]=3 3048 B16R1.92 CCOCCCNC(=O)c1cccc(c1)I 240690a_100000210961_100000184098 [0,1,0,0,0,0|2,0,0]=3 3049 B16R1.92 CCOCCCNC(=O)c1cccc(c1)I 527a_100000210961_100000184098 [0,1,0,0,0,0|2,0,0]=3 3050 B16R1.92 CCOCCCNC(=O)c1cccc(c1)O 240690a_100000210961_100000183914 [0,1,0,0,0,0|2,0,0]=3 3051 B16R1.92 CCOCCCNC(=O)c1cccc(c1)O 527a_100000210961_100000183914 [0,1,0,0,0,0|2,0,0]=3 3052 B16R1.92 CCOCCCOC(C)c1cccc(c1)Br 34a_100000246457_100012232248 [0,1,0,0,0,0|2,0,1]=4 3053 B16R1.92 CCOCCCOC(C)c1cccc(c1)Br 7a_100000246457_100012232248 [0,1,0,0,0,0|2,0,1]=4 3054 B16R1.92 CCOCCCOC(C)c1cccc(c1)C 34a_100000757818_100012232248 [0,1,0,0,0,0|2,0,1]=4 3055 B16R1.92 CCOCCCOC(C)c1cccc(c1)C 7a_100000757818_100012232248 [0,1,0,0,0,0|2,0,1]=4 3056 B16R1.92 CCOCCCOC(C)c1cccc(c1)F 34a_100000744526_100012232248 [0,1,0,0,0,0|2,0,1]=4 3057 B16R1.92 CCOCCCOC(C)c1cccc(c1)F 7a_100000744526_100012232248 [0,1,0,0,0,0|2,0,1]=4 3058 B16R1.92 CCOCCCOC(C)c1cccc(c1)I 34a_100013085317_100012232248 [0,1,0,0,0,0|2,0,1]=4 3059 B16R1.92 CCOCCCOC(C)c1cccc(c1)I 7a_100013085317_100012232248 [0,1,0,0,0,0|2,0,1]=4 3060 B16R1.92 CCOCCCOC(C)c1cccc(c1)N 34a_100011217120_100012232248 [0,1,0,0,0,0|2,0,1]=4 3061 B16R1.92 CCOCCCOC(C)c1cccc(c1)N 7a_100011217120_100012232248 [0,1,0,0,0,0|2,0,1]=4 3062 B16R1.92 CCOCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100012232248 [0,1,0,0,0,0|2,0,1]=4 3063 B16R1.92 CCOCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100012232248 [0,1,0,0,0,0|2,0,1]=4 3064 B16R1.92 CCOCCNCC(=O)c1cccc(c1)Br 2230a_102516460346_100000212080 [0,1,0,0,0,0|3,0,0]=4 3065 B16R1.92 CCOCCNCC(=O)c1cccc(c1)Br 34a_102516460346_100000212080 [0,1,0,0,0,0|3,0,0]=4 3066 B16R1.92 CCOCCNCC(=O)c1cccc(c1)C 2230a_102516460346_100000739480 [0,1,0,0,0,0|3,0,0]=4 3067 B16R1.92 CCOCCNCC(=O)c1cccc(c1)C 34a_102516460346_100000739480 [0,1,0,0,0,0|3,0,0]=4 3068 B16R1.92 CCOCCNCC(=O)c1cccc(c1)Cl 2230a_102516460346_100000211444 [0,1,0,0,0,0|3,0,0]=4 3069 B16R1.92 CCOCCNCC(=O)c1cccc(c1)Cl 34a_102516460346_100000211444 [0,1,0,0,0,0|3,0,0]=4 3070 B16R1.92 CCOCCNCC(=O)c1cccc(c1)F 2230a_102516460346_100000215616 [0,1,0,0,0,0|3,0,0]=4 3071 B16R1.92 CCOCCNCC(=O)c1cccc(c1)F 34a_102516460346_100000215616 [0,1,0,0,0,0|3,0,0]=4 3072 B16R1.92 CCOCCNCC(=O)c1cccc(c1)O 34a_102516460346_100009813753 [0,1,0,0,0,0|3,0,0]=4 3073 B16R1.92 CCOCCNNC(=O)c1cccc(c1)Br 22a_100000732670_100000210664 [0,1,0,0,0,0|3,0,0]=4 3074 B16R1.92 CCOCCNNC(=O)c1cccc(c1)C 22a_100000732670_100000189346 [0,1,0,0,0,0|3,0,0]=4 3075 B16R1.92 CCOCCNNC(=O)c1cccc(c1)Cl 22a_100000732670_100000210390 [0,1,0,0,0,0|3,0,0]=4 3076 B16R1.92 CCOCCNNC(=O)c1cccc(c1)F 22a_100000732670_100000210950 [0,1,0,0,0,0|3,0,0]=4 3077 B16R1.92 CCOCCNNC(=O)c1cccc(c1)I 22a_100000732670_100000184098 [0,1,0,0,0,0|3,0,0]=4 3078 B16R1.92 CCOCCNNC(=O)c1cccc(c1)O 22a_100000732670_100000183914 [0,1,0,0,0,0|3,0,0]=4 3079 B16R1.92 CCOCCOCC(=O)c1cccc(c1)Br 34a_100000210136_100000212080 [0,1,0,0,0,0|3,0,0]=4 3080 B16R1.92 CCOCCOCC(=O)c1cccc(c1)Br 7a_100000210136_100000212080 [0,1,0,0,0,0|3,0,0]=4 3081 B16R1.92 CCOCCOCC(=O)c1cccc(c1)C 34a_100000210136_100000739480 [0,1,0,0,0,0|3,0,0]=4 3082 B16R1.92 CCOCCOCC(=O)c1cccc(c1)C 7a_100000210136_100000739480 [0,1,0,0,0,0|3,0,0]=4 3083 B16R1.92 CCOCCOCC(=O)c1cccc(c1)Cl 34a_100000210136_100000211444 [0,1,0,0,0,0|3,0,0]=4 3084 B16R1.92 CCOCCOCC(=O)c1cccc(c1)Cl 7a_100000210136_100000211444 [0,1,0,0,0,0|3,0,0]=4 3085 B16R1.92 CCOCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100011215890 [0,1,0,0,0,0|3,0,0]=4 3086 B16R1.92 CCOCCOCC(=O)c1cccc(c1)F 34a_100000210136_100000215616 [0,1,0,0,0,0|3,0,0]=4 3087 B16R1.92 CCOCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210147 [0,1,0,0,0,0|3,0,0]=4 3088 B16R1.92 CCOCCOCC(=O)c1cccc(c1)F 7a_100011592800_100011215890 [0,1,0,0,0,0|3,0,0]=4 3089 B16R1.92 CCOCCOCC(=O)c1cccc(c1)O 34a_100000210136_100009813753 [0,1,0,0,0,0|3,0,0]=4 3090 B16R1.92 CCOCCOCC(=O)c1cccc(c1)O 7a_100000210136_100009813753 [0,1,0,0,0,0|3,0,0]=4 3091 B16R1.92 CCOCCSCC(=O)c1cccc(c1)Br 62a_100000210147_100000212080 [0,1,0,0,0,0|3,0,0]=4 3092 B16R1.92 CCOCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100011215890 [0,1,0,0,0,0|3,0,0]=4 3093 B16R1.92 CCOCCSCC(=O)c1cccc(c1)C 62a_100000210147_100000739480 [0,1,0,0,0,0|3,0,0]=4 3094 B16R1.92 CCOCCSCC(=O)c1cccc(c1)C 62a_100000739480_100011215890 [0,1,0,0,0,0|3,0,0]=4 3095 B16R1.92 CCOCCSCC(=O)c1cccc(c1)Cl 62a_100000210147_100000211444 [0,1,0,0,0,0|3,0,0]=4 3096 B16R1.92 CCOCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011215890 [0,1,0,0,0,0|3,0,0]=4 3097 B16R1.92 CCOCCSCC(=O)c1cccc(c1)F 62a_100000210147_100000215616 [0,1,0,0,0,0|3,0,0]=4 3098 B16R1.92 CCOCCSCC(=O)c1cccc(c1)F 62a_100000215616_100011215890 [0,1,0,0,0,0|3,0,0]=4 3099 B16R1.92 CCOCCSCC(=O)c1cccc(c1)O 62a_100000210147_100009813753 [0,1,0,0,0,0|3,0,0]=4 3100 B16R1.92 CCOCCSCC(=O)c1cccc(c1)O 62a_100009813753_100011215890 [0,1,0,0,0,0|3,0,0]=4 3101 B16R1.92 CCSCCNCC(=O)c1cccc(c1)Br 2230a_100000106463_100000212080 [0,1,0,0,0,0|3,0,0]=4 3102 B16R1.92 CCSCCNCC(=O)c1cccc(c1)C 2230a_100000106463_100000739480 [0,1,0,0,0,0|3,0,0]=4 3103 B16R1.92 CCSCCNCC(=O)c1cccc(c1)Cl 2230a_100000106463_100000211444 [0,1,0,0,0,0|3,0,0]=4 3104 B16R1.92 CCSCCNCC(=O)c1cccc(c1)F 2230a_100000106463_100000215616 [0,1,0,0,0,0|3,0,0]=4 3105 B16R1.92 CCSCCOCC(=O)c1cccc(c1)Br 34a_100000212035_100000212080 [0,1,0,0,0,0|3,0,0]=4 3106 B16R1.92 CCSCCOCC(=O)c1cccc(c1)Br 7a_100000212035_100000212080 [0,1,0,0,0,0|3,0,0]=4 3107 B16R1.92 CCSCCOCC(=O)c1cccc(c1)C 34a_100000212035_100000739480 [0,1,0,0,0,0|3,0,0]=4 3108 B16R1.92 CCSCCOCC(=O)c1cccc(c1)C 7a_100000212035_100000739480 [0,1,0,0,0,0|3,0,0]=4 3109 B16R1.92 CCSCCOCC(=O)c1cccc(c1)Cl 34a_100000212035_100000211444 [0,1,0,0,0,0|3,0,0]=4 3110 B16R1.92 CCSCCOCC(=O)c1cccc(c1)Cl 7a_100000212035_100000211444 [0,1,0,0,0,0|3,0,0]=4 3111 B16R1.92 CCSCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000757381 [0,1,0,0,0,0|3,0,0]=4 3112 B16R1.92 CCSCCOCC(=O)c1cccc(c1)F 34a_100000212035_100000215616 [0,1,0,0,0,0|3,0,0]=4 3113 B16R1.92 CCSCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000757381 [0,1,0,0,0,0|3,0,0]=4 3114 B16R1.92 CCSCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000757381 [0,1,0,0,0,0|3,0,0]=4 3115 B16R1.92 CCSCCOCC(=O)c1cccc(c1)O 34a_100000212035_100009813753 [0,1,0,0,0,0|3,0,0]=4 3116 B16R1.92 CCSCCOCC(=O)c1cccc(c1)O 7a_100000212035_100009813753 [0,1,0,0,0,0|3,0,0]=4 3117 B16R1.92 CCSCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000757381 [0,1,0,0,0,0|3,0,0]=4 3118 B16R1.92 CCSCCSCC(=O)c1cccc(c1)Br 62a_100000757381_100000212080 [0,1,0,0,0,0|3,0,0]=4 3119 B16R1.92 CCSCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000757381 [0,1,0,0,0,0|3,0,0]=4 3120 B16R1.92 CCSCCSCC(=O)c1cccc(c1)C 62a_100000757381_100000739480 [0,1,0,0,0,0|3,0,0]=4 3121 B16R1.92 CCSCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000757381 [0,1,0,0,0,0|3,0,0]=4 3122 B16R1.92 CCSCCSCC(=O)c1cccc(c1)Cl 62a_100000757381_100000211444 [0,1,0,0,0,0|3,0,0]=4 3123 B16R1.92 CCSCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000757381 [0,1,0,0,0,0|3,0,0]=4 3124 B16R1.92 CCSCCSCC(=O)c1cccc(c1)F 62a_100000757381_100000215616 [0,1,0,0,0,0|3,0,0]=4 3125 B16R1.92 CCSCCSCC(=O)c1cccc(c1)O 62a_100000757381_100009813753 [0,1,0,0,0,0|3,0,0]=4 3126 B16R1.92 CCSCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000757381 [0,1,0,0,0,0|3,0,0]=4 3127 B16R1.92 CNCCCOCC(=O)c1cccc(c1)Br 34a_100000213112_100000212080 [0,1,0,0,0,0|3,0,0]=4 3128 B16R1.92 CNCCCOCC(=O)c1cccc(c1)C 34a_100000213112_100000739480 [0,1,0,0,0,0|3,0,0]=4 3129 B16R1.92 CNCCCOCC(=O)c1cccc(c1)Cl 34a_100000213112_100000211444 [0,1,0,0,0,0|3,0,0]=4 3130 B16R1.92 CNCCCOCC(=O)c1cccc(c1)F 34a_100000213112_100000215616 [0,1,0,0,0,0|3,0,0]=4 3131 B16R1.92 CNCCCOCC(=O)c1cccc(c1)O 34a_100000213112_100009813753 [0,1,0,0,0,0|3,0,0]=4 3132 B16R1.92 COCCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000755781 [0,1,0,0,0,0|2,0,1]=4 3133 B16R1.92 COCCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000730899 [0,1,0,0,0,0|2,0,1]=4 3134 B16R1.92 COCCCCOC(C)c1cccc(c1)C 34a_100000757818_100000755781 [0,1,0,0,0,0|2,0,1]=4 3135 B16R1.92 COCCCCOC(C)c1cccc(c1)C 7a_100000757818_100000730899 [0,1,0,0,0,0|2,0,1]=4 3136 B16R1.92 COCCCCOC(C)c1cccc(c1)F 34a_100000744526_100000755781 [0,1,0,0,0,0|2,0,1]=4 3137 B16R1.92 COCCCCOC(C)c1cccc(c1)F 7a_100000744526_100000730899 [0,1,0,0,0,0|2,0,1]=4 3138 B16R1.92 COCCCCOC(C)c1cccc(c1)I 34a_100013085317_100000755781 [0,1,0,0,0,0|2,0,1]=4 3139 B16R1.92 COCCCCOC(C)c1cccc(c1)I 7a_100013085317_100000730899 [0,1,0,0,0,0|2,0,1]=4 3140 B16R1.92 COCCCCOC(C)c1cccc(c1)N 34a_100011217120_100000755781 [0,1,0,0,0,0|2,0,1]=4 3141 B16R1.92 COCCCCOC(C)c1cccc(c1)N 7a_100011217120_100000730899 [0,1,0,0,0,0|2,0,1]=4 3142 B16R1.92 COCCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000755781 [0,1,0,0,0,0|2,0,1]=4 3143 B16R1.92 COCCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000730899 [0,1,0,0,0,0|2,0,1]=4 3144 B16R1.92 COCCCNCC(=O)c1cccc(c1)Br 34a_100150723488_100000212080 [0,1,0,0,0,0|3,0,0]=4 3145 B16R1.92 COCCCNCC(=O)c1cccc(c1)C 34a_100150723488_100000739480 [0,1,0,0,0,0|3,0,0]=4 3146 B16R1.92 COCCCNCC(=O)c1cccc(c1)Cl 34a_100150723488_100000211444 [0,1,0,0,0,0|3,0,0]=4 3147 B16R1.92 COCCCNCC(=O)c1cccc(c1)F 34a_100150723488_100000215616 [0,1,0,0,0,0|3,0,0]=4 3148 B16R1.92 COCCCNCC(=O)c1cccc(c1)O 34a_100150723488_100009813753 [0,1,0,0,0,0|3,0,0]=4 3149 B16R1.92 COCCCNNC(=O)c1cccc(c1)Br 22a_100025702787_100000210664 [0,1,0,0,0,0|3,0,0]=4 3150 B16R1.92 COCCCNNC(=O)c1cccc(c1)C 22a_100025702787_100000189346 [0,1,0,0,0,0|3,0,0]=4 3151 B16R1.92 COCCCNNC(=O)c1cccc(c1)Cl 22a_100025702787_100000210390 [0,1,0,0,0,0|3,0,0]=4 3152 B16R1.92 COCCCNNC(=O)c1cccc(c1)F 22a_100025702787_100000210950 [0,1,0,0,0,0|3,0,0]=4 3153 B16R1.92 COCCCNNC(=O)c1cccc(c1)I 22a_100025702787_100000184098 [0,1,0,0,0,0|3,0,0]=4 3154 B16R1.92 COCCCNNC(=O)c1cccc(c1)O 22a_100025702787_100000183914 [0,1,0,0,0,0|3,0,0]=4 3155 B16R1.92 COCCCOCC(=O)c1cccc(c1)Br 34a_100000740835_100000212080 [0,1,0,0,0,0|3,0,0]=4 3156 B16R1.92 COCCCOCC(=O)c1cccc(c1)C 34a_100000740835_100000739480 [0,1,0,0,0,0|3,0,0]=4 3157 B16R1.92 COCCCOCC(=O)c1cccc(c1)Cl 34a_100000740835_100000211444 [0,1,0,0,0,0|3,0,0]=4 3158 B16R1.92 COCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000740836 [0,1,0,0,0,0|3,0,0]=4 3159 B16R1.92 COCCCOCC(=O)c1cccc(c1)F 34a_100000740835_100000215616 [0,1,0,0,0,0|3,0,0]=4 3160 B16R1.92 COCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000740836 [0,1,0,0,0,0|3,0,0]=4 3161 B16R1.92 COCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000740836 [0,1,0,0,0,0|3,0,0]=4 3162 B16R1.92 COCCCOCC(=O)c1cccc(c1)O 34a_100000740835_100009813753 [0,1,0,0,0,0|3,0,0]=4 3163 B16R1.92 COCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000709357 [0,1,0,0,0,0|3,0,0]=4 3164 B16R1.92 COCCCSCC(=O)c1cccc(c1)Br 62a_100000709357_100000212080 [0,1,0,0,0,0|3,0,0]=4 3165 B16R1.92 COCCCSCC(=O)c1cccc(c1)C 62a_100000709357_100000739480 [0,1,0,0,0,0|3,0,0]=4 3166 B16R1.92 COCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000709357 [0,1,0,0,0,0|3,0,0]=4 3167 B16R1.92 COCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000709357 [0,1,0,0,0,0|3,0,0]=4 3168 B16R1.92 COCCCSCC(=O)c1cccc(c1)Cl 62a_100000709357_100000211444 [0,1,0,0,0,0|3,0,0]=4 3169 B16R1.92 COCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000709357 [0,1,0,0,0,0|3,0,0]=4 3170 B16R1.92 COCCCSCC(=O)c1cccc(c1)F 62a_100000709357_100000215616 [0,1,0,0,0,0|3,0,0]=4 3171 B16R1.92 COCCCSCC(=O)c1cccc(c1)O 62a_100000709357_100009813753 [0,1,0,0,0,0|3,0,0]=4 3172 B16R1.92 COCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000709357 [0,1,0,0,0,0|3,0,0]=4 3173 B16R1.92 COCCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000695917 [0,1,0,0,0,0|3,0,0]=4 3174 B16R1.92 COCCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100000695917 [0,1,0,0,0,0|3,0,0]=4 3175 B16R1.92 COCCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000695917 [0,1,0,0,0,0|3,0,0]=4 3176 B16R1.92 COCCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100000695917 [0,1,0,0,0,0|3,0,0]=4 3177 B16R1.92 COCCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100000695917 [0,1,0,0,0,0|3,0,0]=4 3178 B16R1.92 COCCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100000695917 [0,1,0,0,0,0|3,0,0]=4 3179 B16R1.92 CSCCCNCC(=O)c1cccc(c1)Br 2230a_100000749238_100000212080 [0,1,0,0,0,0|3,0,0]=4 3180 B16R1.92 CSCCCNCC(=O)c1cccc(c1)C 2230a_100000749238_100000739480 [0,1,0,0,0,0|3,0,0]=4 3181 B16R1.92 CSCCCNCC(=O)c1cccc(c1)Cl 2230a_100000749238_100000211444 [0,1,0,0,0,0|3,0,0]=4 3182 B16R1.92 CSCCCNCC(=O)c1cccc(c1)F 2230a_100000749238_100000215616 [0,1,0,0,0,0|3,0,0]=4 3183 B16R1.92 CSCCCOCC(=O)c1cccc(c1)Br 34a_100000690336_100000212080 [0,1,0,0,0,0|3,0,0]=4 3184 B16R1.92 CSCCCOCC(=O)c1cccc(c1)Br 7a_100000690336_100000212080 [0,1,0,0,0,0|3,0,0]=4 3185 B16R1.92 CSCCCOCC(=O)c1cccc(c1)C 34a_100000690336_100000739480 [0,1,0,0,0,0|3,0,0]=4 3186 B16R1.92 CSCCCOCC(=O)c1cccc(c1)C 7a_100000690336_100000739480 [0,1,0,0,0,0|3,0,0]=4 3187 B16R1.92 CSCCCOCC(=O)c1cccc(c1)Cl 34a_100000690336_100000211444 [0,1,0,0,0,0|3,0,0]=4 3188 B16R1.92 CSCCCOCC(=O)c1cccc(c1)Cl 7a_100000690336_100000211444 [0,1,0,0,0,0|3,0,0]=4 3189 B16R1.92 CSCCCOCC(=O)c1cccc(c1)F 34a_100000690336_100000215616 [0,1,0,0,0,0|3,0,0]=4 3190 B16R1.92 CSCCCOCC(=O)c1cccc(c1)O 34a_100000690336_100009813753 [0,1,0,0,0,0|3,0,0]=4 3191 B16R1.92 CSCCCOCC(=O)c1cccc(c1)O 7a_100000690336_100009813753 [0,1,0,0,0,0|3,0,0]=4 3192 B16R1.92 CSCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100011218213 [0,1,0,0,0,0|3,0,0]=4 3193 B16R1.92 C[C@@H](OCCCCCF)c1cccc(c1)Cl 34a_100000747380_100000729378 [0,1,0,0,0,0|2,0,1]=4 3194 B16R1.92 C[C@@H](OCCCCCF)c1cccc(c1)Cl 7a_100000747380_100000729378 [0,1,0,0,0,0|2,0,1]=4 3195 B16R1.92 C[C@@H](OCCCCCO)c1cccc(c1)Cl 34a_100000747380_100000746330 [0,1,0,0,0,0|2,0,1]=4 3196 B16R1.92 C[C@@H](OCCCCCO)c1cccc(c1)Cl 7a_100000747380_100000746330 [0,1,0,0,0,0|2,0,1]=4 3197 B16R1.92 Cc1cccc(c1)C(=O)CCCCCC#N 1458a_100000189346_100009813376 [0,1,0,0,0,0|2,0,1]=4 3198 B16R1.92 Cc1cccc(c1)C(=O)CCCCCCF 1458a_100000189346_100015922095 [0,1,0,0,0,0|2,0,0]=3 3199 B16R1.92 Cc1cccc(c1)C(=O)CCCCCCO 1458a_100000189346_100000766143 [0,1,0,0,0,0|2,0,0]=3 3200 B16R1.92 Cc1cccc(c1)C(=O)CNCCCCO 2230a_100000750430_100000739480 [0,1,0,0,0,0|3,0,0]=4 3201 B16R1.92 Cc1cccc(c1)C(=O)CNCCCCO 34a_100000750430_100000739480 [0,1,0,0,0,0|3,0,0]=4 3202 B16R1.92 Cc1cccc(c1)C(=O)COCCCCBr 34a_100011216708_100000739480 [0,1,0,0,0,0|3,0,0]=4 3203 B16R1.92 Cc1cccc(c1)C(=O)COCCCCCl 34a_100000210776_100000739480 [0,1,0,0,0,0|3,0,0]=4 3204 B16R1.92 Cc1cccc(c1)C(=O)COCCCCCl 7a_100000210776_100000739480 [0,1,0,0,0,0|3,0,0]=4 3205 B16R1.92 Cc1cccc(c1)C(=O)COCCCCF 34a_100011995726_100000739480 [0,1,0,0,0,0|3,0,0]=4 3206 B16R1.92 Cc1cccc(c1)C(=O)COCCCCF 7a_100011995726_100000739480 [0,1,0,0,0,0|3,0,0]=4 3207 B16R1.92 Cc1cccc(c1)C(=O)COCCCCI 34a_200012148704_100000739480 [0,1,0,0,0,0|3,0,0]=4 3208 B16R1.92 Cc1cccc(c1)C(=O)COCCCCN 34a_100000750430_100000739480 [0,1,0,0,0,0|3,0,0]=4 3209 B16R1.92 Cc1cccc(c1)C(=O)CSCCCCF 62a_100000729493_100000739480 [0,1,0,0,0,0|3,0,0]=4 3210 B16R1.92 Cc1cccc(c1)C(=O)CSCCCCF 62a_100000739480_100000729493 [0,1,0,0,0,0|3,0,0]=4 3211 B16R1.92 Cc1cccc(c1)C(=O)CSCCCCO 62a_100000210776_100000739480 [0,1,0,0,0,0|3,0,0]=4 3212 B16R1.92 Cc1cccc(c1)C(=O)CSCCCCO 62a_100000739480_100000210776 [0,1,0,0,0,0|3,0,0]=4 3213 B16R1.92 Cc1cccc(c1)C(=O)NCCCCC#N 11a_100000751965_100000189346 [0,1,0,0,0,0|2,0,1]=4 3214 B16R1.92 Cc1cccc(c1)C(=O)NCCCCC#N 1626a_100000751965_100000189346 [0,1,0,0,0,0|2,0,1]=4 3215 B16R1.92 Cc1cccc(c1)C(=O)NCCCCC#N 240690a_100000751965_100000189346 [0,1,0,0,0,0|2,0,1]=4 3216 B16R1.92 Cc1cccc(c1)C(=O)NCCCCC#N 527a_100000751965_100000189346 [0,1,0,0,0,0|2,0,1]=4 3217 B16R1.92 Cc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100000189346 [0,1,0,0,0,0|2,0,0]=3 3218 B16R1.92 Cc1cccc(c1)C(=O)NCCOCCO 240690a_100000211614_100000189346 [0,1,0,0,0,0|3,0,0]=4 3219 B16R1.92 Cc1cccc(c1)C(=O)NCCSCCO 240690a_100011219999_100000189346 [0,1,0,0,0,0|3,0,0]=4 3220 B16R1.92 Cc1cccc(c1)C(=O)NCCSCCO 527a_100011219999_100000189346 [0,1,0,0,0,0|3,0,0]=4 3221 B16R1.92 Cc1cccc(c1)C(C)OCCCCCF 34a_100000757818_100000729378 [0,1,0,0,0,0|2,0,1]=4 3222 B16R1.92 Cc1cccc(c1)C(C)OCCCCCF 7a_100000757818_100000729378 [0,1,0,0,0,0|2,0,1]=4 3223 B16R1.92 Cc1cccc(c1)C(C)OCCCCCO 34a_100000757818_100000746330 [0,1,0,0,0,0|2,0,1]=4 3224 B16R1.92 Cc1cccc(c1)C(C)OCCCCCO 7a_100000757818_100000746330 [0,1,0,0,0,0|2,0,1]=4 3225 B16R1.92 N#CCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100009813376 [0,1,0,0,0,0|2,0,1]=4 3226 B16R1.92 N#CCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100009813376 [0,1,0,0,0,0|2,0,1]=4 3227 B16R1.92 N#CCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100009813376 [0,1,0,0,0,0|2,0,1]=4 3228 B16R1.92 N#CCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100009813376 [0,1,0,0,0,0|2,0,1]=4 3229 B16R1.92 N#CCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100009813376 [0,1,0,0,0,0|2,0,1]=4 3230 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Br 11a_100000751965_100000210664 [0,1,0,0,0,0|2,0,1]=4 3231 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Br 1626a_100000751965_100000210664 [0,1,0,0,0,0|2,0,1]=4 3232 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Br 240690a_100000751965_100000210664 [0,1,0,0,0,0|2,0,1]=4 3233 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Br 527a_100000751965_100000210664 [0,1,0,0,0,0|2,0,1]=4 3234 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Cl 11a_100000751965_100000210390 [0,1,0,0,0,0|2,0,1]=4 3235 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Cl 1626a_100000751965_100000210390 [0,1,0,0,0,0|2,0,1]=4 3236 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Cl 240690a_100000751965_100000210390 [0,1,0,0,0,0|2,0,1]=4 3237 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)Cl 527a_100000751965_100000210390 [0,1,0,0,0,0|2,0,1]=4 3238 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)F 11a_100000751965_100000210950 [0,1,0,0,0,0|2,0,1]=4 3239 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)F 1626a_100000751965_100000210950 [0,1,0,0,0,0|2,0,1]=4 3240 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)F 240690a_100000751965_100000210950 [0,1,0,0,0,0|2,0,1]=4 3241 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)F 527a_100000751965_100000210950 [0,1,0,0,0,0|2,0,1]=4 3242 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)I 11a_100000751965_100000184098 [0,1,0,0,0,0|2,0,1]=4 3243 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)I 1626a_100000751965_100000184098 [0,1,0,0,0,0|2,0,1]=4 3244 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)I 240690a_100000751965_100000184098 [0,1,0,0,0,0|2,0,1]=4 3245 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)I 527a_100000751965_100000184098 [0,1,0,0,0,0|2,0,1]=4 3246 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)O 240690a_100000751965_100000183914 [0,1,0,0,0,0|2,0,1]=4 3247 B16R1.92 N#CCCCCNC(=O)c1cccc(c1)O 527a_100000751965_100000183914 [0,1,0,0,0,0|2,0,1]=4 3248 B16R1.92 NCCCCOCC(=O)c1cccc(c1)Br 34a_100000750430_100000212080 [0,1,0,0,0,0|3,0,0]=4 3249 B16R1.92 NCCCCOCC(=O)c1cccc(c1)Cl 34a_100000750430_100000211444 [0,1,0,0,0,0|3,0,0]=4 3250 B16R1.92 NCCCCOCC(=O)c1cccc(c1)F 34a_100000750430_100000215616 [0,1,0,0,0,0|3,0,0]=4 3251 B16R1.92 NCCCCOCC(=O)c1cccc(c1)O 34a_100000750430_100009813753 [0,1,0,0,0,0|3,0,0]=4 3252 B16R1.92 O=C(CCCCCCF)c1cccc(c1)Br 1458a_100000210664_100015922095 [0,1,0,0,0,0|2,0,0]=3 3253 B16R1.92 O=C(CCCCCCF)c1cccc(c1)Cl 1458a_100000210390_100015922095 [0,1,0,0,0,0|2,0,0]=3 3254 B16R1.92 O=C(CCCCCCF)c1cccc(c1)F 1458a_100000210950_100015922095 [0,1,0,0,0,0|2,0,0]=3 3255 B16R1.92 O=C(CCCCCCF)c1cccc(c1)I 1458a_100000184098_100015922095 [0,1,0,0,0,0|2,0,0]=3 3256 B16R1.92 O=C(CCCCCCF)c1cccc(c1)O 1458a_100000183914_100015922095 [0,1,0,0,0,0|2,0,0]=3 3257 B16R1.92 O=C(CCCCCCO)c1cccc(c1)Br 1458a_100000210664_100000766143 [0,1,0,0,0,0|2,0,0]=3 3258 B16R1.92 O=C(CCCCCCO)c1cccc(c1)Cl 1458a_100000210390_100000766143 [0,1,0,0,0,0|2,0,0]=3 3259 B16R1.92 O=C(CCCCCCO)c1cccc(c1)F 1458a_100000210950_100000766143 [0,1,0,0,0,0|2,0,0]=3 3260 B16R1.92 O=C(CCCCCCO)c1cccc(c1)I 1458a_100000184098_100000766143 [0,1,0,0,0,0|2,0,0]=3 3261 B16R1.92 O=C(CCCCCCO)c1cccc(c1)O 1458a_100000183914_100000766143 [0,1,0,0,0,0|2,0,0]=3 3262 B16R1.92 O=C(CNCCCCO)c1cccc(c1)Br 2230a_100000750430_100000212080 [0,1,0,0,0,0|3,0,0]=4 3263 B16R1.92 O=C(CNCCCCO)c1cccc(c1)Br 34a_100000750430_100000212080 [0,1,0,0,0,0|3,0,0]=4 3264 B16R1.92 O=C(CNCCCCO)c1cccc(c1)Cl 2230a_100000750430_100000211444 [0,1,0,0,0,0|3,0,0]=4 3265 B16R1.92 O=C(CNCCCCO)c1cccc(c1)Cl 34a_100000750430_100000211444 [0,1,0,0,0,0|3,0,0]=4 3266 B16R1.92 O=C(CNCCCCO)c1cccc(c1)F 2230a_100000750430_100000215616 [0,1,0,0,0,0|3,0,0]=4 3267 B16R1.92 O=C(CNCCCCO)c1cccc(c1)F 34a_100000750430_100000215616 [0,1,0,0,0,0|3,0,0]=4 3268 B16R1.92 O=C(CNCCCCO)c1cccc(c1)O 34a_100000750430_100009813753 [0,1,0,0,0,0|3,0,0]=4 3269 B16R1.92 O=C(COCCCCBr)c1cccc(c1)Br 34a_100011216708_100000212080 [0,1,0,0,0,0|3,0,0]=4 3270 B16R1.92 O=C(COCCCCBr)c1cccc(c1)Cl 34a_100011216708_100000211444 [0,1,0,0,0,0|3,0,0]=4 3271 B16R1.92 O=C(COCCCCBr)c1cccc(c1)F 34a_100011216708_100000215616 [0,1,0,0,0,0|3,0,0]=4 3272 B16R1.92 O=C(COCCCCBr)c1cccc(c1)O 34a_100011216708_100009813753 [0,1,0,0,0,0|3,0,0]=4 3273 B16R1.92 O=C(COCCCCCl)c1cccc(c1)Br 34a_100000210776_100000212080 [0,1,0,0,0,0|3,0,0]=4 3274 B16R1.92 O=C(COCCCCCl)c1cccc(c1)Br 7a_100000210776_100000212080 [0,1,0,0,0,0|3,0,0]=4 3275 B16R1.92 O=C(COCCCCCl)c1cccc(c1)Cl 34a_100000210776_100000211444 [0,1,0,0,0,0|3,0,0]=4 3276 B16R1.92 O=C(COCCCCCl)c1cccc(c1)Cl 7a_100000210776_100000211444 [0,1,0,0,0,0|3,0,0]=4 3277 B16R1.92 O=C(COCCCCCl)c1cccc(c1)F 34a_100000210776_100000215616 [0,1,0,0,0,0|3,0,0]=4 3278 B16R1.92 O=C(COCCCCCl)c1cccc(c1)O 34a_100000210776_100009813753 [0,1,0,0,0,0|3,0,0]=4 3279 B16R1.92 O=C(COCCCCCl)c1cccc(c1)O 7a_100000210776_100009813753 [0,1,0,0,0,0|3,0,0]=4 3280 B16R1.92 O=C(COCCCCF)c1cccc(c1)Br 34a_100011995726_100000212080 [0,1,0,0,0,0|3,0,0]=4 3281 B16R1.92 O=C(COCCCCF)c1cccc(c1)Br 7a_100011995726_100000212080 [0,1,0,0,0,0|3,0,0]=4 3282 B16R1.92 O=C(COCCCCF)c1cccc(c1)Cl 34a_100011995726_100000211444 [0,1,0,0,0,0|3,0,0]=4 3283 B16R1.92 O=C(COCCCCF)c1cccc(c1)Cl 7a_100011995726_100000211444 [0,1,0,0,0,0|3,0,0]=4 3284 B16R1.92 O=C(COCCCCF)c1cccc(c1)Cl 7a_200011592804_100000729493 [0,1,0,0,0,0|3,0,0]=4 3285 B16R1.92 O=C(COCCCCF)c1cccc(c1)F 34a_100011592800_100000729493 [0,1,0,0,0,0|3,0,0]=4 3286 B16R1.92 O=C(COCCCCF)c1cccc(c1)F 34a_100011995726_100000215616 [0,1,0,0,0,0|3,0,0]=4 3287 B16R1.92 O=C(COCCCCF)c1cccc(c1)F 7a_100011592800_100000729493 [0,1,0,0,0,0|3,0,0]=4 3288 B16R1.92 O=C(COCCCCF)c1cccc(c1)O 34a_100011995726_100009813753 [0,1,0,0,0,0|3,0,0]=4 3289 B16R1.92 O=C(COCCCCF)c1cccc(c1)O 7a_100011995726_100009813753 [0,1,0,0,0,0|3,0,0]=4 3290 B16R1.92 O=C(COCCCCI)c1cccc(c1)Br 34a_200012148704_100000212080 [0,1,0,0,0,0|3,0,0]=4 3291 B16R1.92 O=C(COCCCCI)c1cccc(c1)Cl 34a_200012148704_100000211444 [0,1,0,0,0,0|3,0,0]=4 3292 B16R1.92 O=C(COCCCCI)c1cccc(c1)F 34a_200012148704_100000215616 [0,1,0,0,0,0|3,0,0]=4 3293 B16R1.92 O=C(COCCCCI)c1cccc(c1)O 34a_200012148704_100009813753 [0,1,0,0,0,0|3,0,0]=4 3294 B16R1.92 O=C(COCCCCO)c1cccc(c1)Cl 7a_200011592804_100000210776 [0,1,0,0,0,0|3,0,0]=4 3295 B16R1.92 O=C(COCCCCO)c1cccc(c1)F 34a_100011592800_100011216708 [0,1,0,0,0,0|3,0,0]=4 3296 B16R1.92 O=C(COCCCCO)c1cccc(c1)F 7a_100011592800_100000210776 [0,1,0,0,0,0|3,0,0]=4 3297 B16R1.92 O=C(CSCCCCF)c1cccc(c1)Br 62a_100000212080_100000729493 [0,1,0,0,0,0|3,0,0]=4 3298 B16R1.92 O=C(CSCCCCF)c1cccc(c1)Br 62a_100000729493_100000212080 [0,1,0,0,0,0|3,0,0]=4 3299 B16R1.92 O=C(CSCCCCF)c1cccc(c1)Cl 62a_100000211444_100000729493 [0,1,0,0,0,0|3,0,0]=4 3300 B16R1.92 O=C(CSCCCCF)c1cccc(c1)Cl 62a_100000729493_100000211444 [0,1,0,0,0,0|3,0,0]=4 3301 B16R1.92 O=C(CSCCCCF)c1cccc(c1)F 62a_100000215616_100000729493 [0,1,0,0,0,0|3,0,0]=4 3302 B16R1.92 O=C(CSCCCCF)c1cccc(c1)F 62a_100000729493_100000215616 [0,1,0,0,0,0|3,0,0]=4 3303 B16R1.92 O=C(CSCCCCF)c1cccc(c1)O 62a_100000729493_100009813753 [0,1,0,0,0,0|3,0,0]=4 3304 B16R1.92 O=C(CSCCCCF)c1cccc(c1)O 62a_100009813753_100000729493 [0,1,0,0,0,0|3,0,0]=4 3305 B16R1.92 O=C(CSCCCCO)c1cccc(c1)Br 62a_100000210776_100000212080 [0,1,0,0,0,0|3,0,0]=4 3306 B16R1.92 O=C(CSCCCCO)c1cccc(c1)Br 62a_100000212080_100000210776 [0,1,0,0,0,0|3,0,0]=4 3307 B16R1.92 O=C(CSCCCCO)c1cccc(c1)Cl 62a_100000210776_100000211444 [0,1,0,0,0,0|3,0,0]=4 3308 B16R1.92 O=C(CSCCCCO)c1cccc(c1)Cl 62a_100000211444_100000210776 [0,1,0,0,0,0|3,0,0]=4 3309 B16R1.92 O=C(CSCCCCO)c1cccc(c1)F 62a_100000210776_100000215616 [0,1,0,0,0,0|3,0,0]=4 3310 B16R1.92 O=C(CSCCCCO)c1cccc(c1)F 62a_100000215616_100000210776 [0,1,0,0,0,0|3,0,0]=4 3311 B16R1.92 O=C(CSCCCCO)c1cccc(c1)O 62a_100000210776_100009813753 [0,1,0,0,0,0|3,0,0]=4 3312 B16R1.92 O=C(CSCCCCO)c1cccc(c1)O 62a_100009813753_100000210776 [0,1,0,0,0,0|3,0,0]=4 3313 B16R1.92 O=C(NCCCCCO)c1cccc(c1)Br 240690a_100000762737_100000210664 [0,1,0,0,0,0|2,0,0]=3 3314 B16R1.92 O=C(NCCCCCO)c1cccc(c1)Cl 240690a_100000762737_100000210390 [0,1,0,0,0,0|2,0,0]=3 3315 B16R1.92 O=C(NCCCCCO)c1cccc(c1)F 240690a_100000762737_100000210950 [0,1,0,0,0,0|2,0,0]=3 3316 B16R1.92 O=C(NCCCCCO)c1cccc(c1)I 240690a_100000762737_100000184098 [0,1,0,0,0,0|2,0,0]=3 3317 B16R1.92 O=C(NCCCCCO)c1cccc(c1)O 240690a_100000762737_100000183914 [0,1,0,0,0,0|2,0,0]=3 3318 B16R1.92 O=C(NCCOCCF)c1cccc(c1)Br 34a_200000158903_100011217306 [0,1,0,0,0,0|3,0,0]=4 3319 B16R1.92 O=C(NCCOCCF)c1cccc(c1)Br 7a_200000158903_100011217306 [0,1,0,0,0,0|3,0,0]=4 3320 B16R1.92 O=C(NCCOCCO)c1cccc(c1)Br 240690a_100000211614_100000210664 [0,1,0,0,0,0|3,0,0]=4 3321 B16R1.92 O=C(NCCOCCO)c1cccc(c1)Br 34a_200000158903_100000211926 [0,1,0,0,0,0|3,0,0]=4 3322 B16R1.92 O=C(NCCOCCO)c1cccc(c1)Br 7a_200000158903_100000211926 [0,1,0,0,0,0|3,0,0]=4 3323 B16R1.92 O=C(NCCOCCO)c1cccc(c1)Cl 240690a_100000211614_100000210390 [0,1,0,0,0,0|3,0,0]=4 3324 B16R1.92 O=C(NCCOCCO)c1cccc(c1)F 240690a_100000211614_100000210950 [0,1,0,0,0,0|3,0,0]=4 3325 B16R1.92 O=C(NCCOCCO)c1cccc(c1)I 240690a_100000211614_100000184098 [0,1,0,0,0,0|3,0,0]=4 3326 B16R1.92 O=C(NCCOCCO)c1cccc(c1)O 240690a_100000211614_100000183914 [0,1,0,0,0,0|3,0,0]=4 3327 B16R1.92 O=C(NCCSCCO)c1cccc(c1)Br 240690a_100011219999_100000210664 [0,1,0,0,0,0|3,0,0]=4 3328 B16R1.92 O=C(NCCSCCO)c1cccc(c1)Br 527a_100011219999_100000210664 [0,1,0,0,0,0|3,0,0]=4 3329 B16R1.92 O=C(NCCSCCO)c1cccc(c1)Cl 240690a_100011219999_100000210390 [0,1,0,0,0,0|3,0,0]=4 3330 B16R1.92 O=C(NCCSCCO)c1cccc(c1)Cl 527a_100011219999_100000210390 [0,1,0,0,0,0|3,0,0]=4 3331 B16R1.92 O=C(NCCSCCO)c1cccc(c1)F 240690a_100011219999_100000210950 [0,1,0,0,0,0|3,0,0]=4 3332 B16R1.92 O=C(NCCSCCO)c1cccc(c1)F 527a_100011219999_100000210950 [0,1,0,0,0,0|3,0,0]=4 3333 B16R1.92 O=C(NCCSCCO)c1cccc(c1)I 240690a_100011219999_100000184098 [0,1,0,0,0,0|3,0,0]=4 3334 B16R1.92 O=C(NCCSCCO)c1cccc(c1)I 527a_100011219999_100000184098 [0,1,0,0,0,0|3,0,0]=4 3335 B16R1.92 O=C(NCCSCCO)c1cccc(c1)O 240690a_100011219999_100000183914 [0,1,0,0,0,0|3,0,0]=4 3336 B16R1.92 O=C(NCCSCCO)c1cccc(c1)O 527a_100011219999_100000183914 [0,1,0,0,0,0|3,0,0]=4 3337 B16R1.609 C=C(C)CCSCCC(=O)c1ccccc1 62a_100000730704_100000750707 [0,1,0,0,0,0|2,0,1]=4 3338 B16R1.609 C=C(C)CCSCCC(=O)c1ccccc1 62a_100000750707_100000730704 [0,1,0,0,0,0|2,0,1]=4 3339 B16R1.609 C=C(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000730704 [0,1,0,0,0,0|1,0,1]=3 3340 B16R1.609 C=C(C)CCSCOC(=O)c1ccccc1 62a_100000730704_100000073877 [0,1,0,0,0,0|1,0,1]=3 3341 B16R1.609 C=C(C)CNCCNC(=O)c1ccccc1 2230a_100000736134_100000748629 [0,1,0,0,0,0|2,0,1]=4 3342 B16R1.609 C=C(C)COCCNC(=O)c1ccccc1 34a_200000158897_100000748629 [0,1,0,0,0,0|2,0,1]=4 3343 B16R1.609 C=C(C)COCCNC(=O)c1ccccc1 7a_200000158897_100000748629 [0,1,0,0,0,0|2,0,1]=4 3344 B16R1.609 C=C(C)COCCOC(=O)c1ccccc1 34a_100000210245_100009812718 [0,1,0,0,0,0|1,0,1]=3 3345 B16R1.609 C=C(C)COCCOC(=O)c1ccccc1 7a_100000025465_100000748629 [0,1,0,0,0,0|1,0,1]=3 3346 B16R1.609 C=C(C)CSCCCC(=O)c1ccccc1 62a_100000211006_100000211660 [0,1,0,0,0,0|2,0,1]=4 3347 B16R1.609 C=C(C)CSCCCC(=O)c1ccccc1 62a_100000748629_100000211006 [0,1,0,0,0,0|2,0,1]=4 3348 B16R1.609 C=C(C)CSCCNC(=O)c1ccccc1 62a_100000748629_200011215302 [0,1,0,0,0,0|2,0,1]=4 3349 B16R1.609 C=C(C)CSCCNC(=O)c1ccccc1 62a_200011215302_100000211660 [0,1,0,0,0,0|2,0,1]=4 3350 B16R1.609 C=C(C)CSCCOC(=O)c1ccccc1 62a_100000748629_100009812718 [0,1,0,0,0,0|1,0,1]=3 3351 B16R1.609 C=C(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100000211660 [0,1,0,0,0,0|1,0,1]=3 3352 B16R1.609 C=C(F)COCCOC(=O)c1ccccc1 34a_200010262243_100009812718 [0,1,0,0,0,0|1,0,2]=4 3353 B16R1.609 C=C(F)COCCOC(=O)c1ccccc1 7a_100000025465_100000042424 [0,1,0,0,0,0|1,0,2]=4 3354 B16R1.609 C=C(F)CSCCOC(=O)c1ccccc1 62a_100000042424_100009812718 [0,1,0,0,0,0|1,0,2]=4 3355 B16R1.609 C=C(F)CSCCOC(=O)c1ccccc1 62a_100009812718_100000042424 [0,1,0,0,0,0|1,0,2]=4 3356 B16R1.609 CC(=CCSCOC(=O)c1ccccc1)C 62a_100000073877_100000761012 [0,1,0,0,0,0|1,0,2]=4 3357 B16R1.609 CC(=CCSCOC(=O)c1ccccc1)C 62a_100000761012_100000073877 [0,1,0,0,0,0|1,0,2]=4 3358 B16R1.609 CC(=O)CCCCNC(=O)c1ccccc1 1458a_100000689376_200000210301 [0,1,0,0,0,0|1,0,1]=3 3359 B16R1.609 CC(=O)CCCCOC(=O)c1ccccc1 1458a_100000070787_100000039408 [0,1,0,0,0,0|0,0,1]=2 3360 B16R1.609 CC(=O)CCCCO[C@H](C)c1ccccc1 34a_100000761318_100009817362 [0,1,0,0,0,0|1,0,2]=4 3361 B16R1.609 CC(=O)CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000735457 [0,1,0,0,0,0|1,0,2]=4 3362 B16R1.609 CC(=O)CCCOCC(=O)c1ccccc1 7a_100000759063_100000211460 [0,1,0,0,0,0|2,0,1]=4 3363 B16R1.609 CC(=O)CCCSCC(=O)c1ccccc1 62a_100000211460_100011215641 [0,1,0,0,0,0|2,0,1]=4 3364 B16R1.609 CC(=O)CCCSCC(=O)c1ccccc1 62a_100011215641_100000211460 [0,1,0,0,0,0|2,0,1]=4 3365 B16R1.609 CC(=O)CCOCCC(=O)c1ccccc1 7a_100000759926_100000750707 [0,1,0,0,0,0|2,0,1]=4 3366 B16R1.609 CC(=O)CCOCOC(=O)c1ccccc1 7a_100000759926_100000073877 [0,1,0,0,0,0|1,0,1]=3 3367 B16R1.609 CC(=O)CCSCCC(=O)c1ccccc1 62a_100000053229_100000750707 [0,1,0,0,0,0|2,0,1]=4 3368 B16R1.609 CC(=O)CCSCCC(=O)c1ccccc1 62a_100000750707_100000053229 [0,1,0,0,0,0|2,0,1]=4 3369 B16R1.609 CC(=O)CCSCOC(=O)c1ccccc1 62a_100000053229_100000073877 [0,1,0,0,0,0|1,0,1]=3 3370 B16R1.609 CC(=O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000053229 [0,1,0,0,0,0|1,0,1]=3 3371 B16R1.609 CC(=O)COCCOC(=O)c1ccccc1 34a_100000211253_100009812718 [0,1,0,0,0,0|1,0,1]=3 3372 B16R1.609 CC(=O)NCCCNC(=O)c1ccccc1 11a_100000736810_100000185807 [0,1,0,0,0,0|2,0,1]=4 3373 B16R1.609 CC(=O)NCCCNC(=O)c1ccccc1 240690a_100000736810_100000185807 [0,1,0,0,0,0|2,0,1]=4 3374 B16R1.609 CC(=O)NCCCNC(=O)c1ccccc1 527a_100000736810_100000185807 [0,1,0,0,0,0|2,0,1]=4 3375 B16R1.609 CC(=O)OCCCCC(=O)c1ccccc1 1458a_100000185807_100000033659 [0,1,0,0,0,0|2,0,1]=4 3376 B16R1.609 CC(=O)OCSCOC(=O)c1ccccc1 62a_100000073877_100000076356 [0,1,0,0,0,0|2,0,1]=4 3377 B16R1.609 CC(=O)OCSCOC(=O)c1ccccc1 62a_100000076356_100000073877 [0,1,0,0,0,0|2,0,1]=4 3378 B16R1.609 CC(=O)SCCCCC(=O)c1ccccc1 1458a_100000185807_200010402107 [0,1,0,0,0,0|2,0,1]=4 3379 B16R1.609 CC(Br)COCCOC(=O)c1ccccc1 34a_100012180447_100009812718 [0,1,0,0,0,0|1,0,0]=2 3380 B16R1.609 CC(C)CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210682 [0,1,0,0,0,0|1,0,0]=2 3381 B16R1.609 CC(C)CCCCCN(C)c1ccccc1 2230a_100000210012_100000210682 [0,1,0,0,0,0|3,0,0]=4 3382 B16R1.609 CC(C)CCCCCN(C)c1ccccc1 269982a_100000210012_100000210682 [0,1,0,0,0,0|3,0,0]=4 3383 B16R1.609 CC(C)CCCCCN(C)c1ccccc1 34a_100000210012_100000210682 [0,1,0,0,0,0|3,0,0]=4 3384 B16R1.609 CC(C)CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100011216152 [0,1,0,0,0,0|2,0,1]=4 3385 B16R1.609 CC(C)CCCCOC(C)c1ccccc1 34a_100011214890_100000211855 [0,1,0,0,0,0|1,0,1]=3 3386 B16R1.609 CC(C)CCCCOC(C)c1ccccc1 7a_100011214890_100000230085 [0,1,0,0,0,0|1,0,1]=3 3387 B16R1.609 CC(C)CCCCO[C@H](C)c1ccccc1 34a_100000761318_100011216152 [0,1,0,0,0,0|1,0,1]=3 3388 B16R1.609 CC(C)CCCCO[C@H](C)c1ccccc1 7a_100000761318_100011216152 [0,1,0,0,0,0|1,0,1]=3 3389 B16R1.609 CC(C)CCCCSC(C)c1ccccc1 62a_100000230085_100011216152 [0,1,0,0,0,0|1,1,1]=4 3390 B16R1.609 CC(C)CCCCSC(C)c1ccccc1 62a_100011216152_100000230085 [0,1,0,0,0,0|1,1,1]=4 3391 B16R1.609 CC(C)CCCNCC(=O)c1ccccn1 34a_200000737386_100000027445 [0,1,0,0,0,0|3,0,0]=4 3392 B16R1.609 CC(C)CCCOCC(=O)c1ccccc1 7a_100000210774_100000211460 [0,1,0,0,0,0|2,0,0]=3 3393 B16R1.609 CC(C)CCCOCC(=O)c1ccccn1 34a_100000210774_100000027445 [0,1,0,0,0,0|3,0,0]=4 3394 B16R1.609 CC(C)CCCOCC(=O)c1ccccn1 7a_100000210774_100000027445 [0,1,0,0,0,0|3,0,0]=4 3395 B16R1.609 CC(C)CCCOCC(=O)c1ccncc1 7a_100000210774_100015248511 [0,1,0,0,0,0|3,0,0]=4 3396 B16R1.609 CC(C)CCCSCC(=O)c1ccccc1 62a_100000211460_100011214892 [0,1,0,0,0,0|2,0,0]=3 3397 B16R1.609 CC(C)CCCSCC(=O)c1ccccc1 62a_100011214892_100000211460 [0,1,0,0,0,0|2,0,0]=3 3398 B16R1.609 CC(C)CCCSCC(=O)c1ccccn1 62a_100000027445_100011214892 [0,1,0,0,0,0|3,0,0]=4 3399 B16R1.609 CC(C)CCCSCC(=O)c1ccccn1 62a_100011214892_100000027445 [0,1,0,0,0,0|3,0,0]=4 3400 B16R1.609 CC(C)CCCSCC(=O)c1cccnc1 62a_100000757877_100011214892 [0,1,0,0,0,0|3,0,0]=4 3401 B16R1.609 CC(C)CCCSCC(=O)c1cccnc1 62a_100011214892_100000757877 [0,1,0,0,0,0|3,0,0]=4 3402 B16R1.609 CC(C)CCCSCC(=O)c1ccncc1 62a_100000027454_100011214892 [0,1,0,0,0,0|3,0,0]=4 3403 B16R1.609 CC(C)CCCSCC(=O)c1ccncc1 62a_100011214892_100000027454 [0,1,0,0,0,0|3,0,0]=4 3404 B16R1.609 CC(C)CCCSCS(=O)c1ccccc1 62a_100011214892_100000031784 [0,1,0,0,0,0|3,0,0]=4 3405 B16R1.609 CC(C)CCOCCC(=O)c1ccccc1 7a_100000210254_100000750707 [0,1,0,0,0,0|2,0,0]=3 3406 B16R1.609 CC(C)CCOCCS(=O)c1ccccc1 7a_100000210254_100000740319 [0,1,0,0,0,0|3,0,0]=4 3407 B16R1.609 CC(C)CCOCOC(=O)c1ccccc1 7a_100000210254_100000073877 [0,1,0,0,0,0|1,0,0]=2 3408 B16R1.609 CC(C)CCSCCC(=O)c1ccccc1 62a_100000210312_100000750707 [0,1,0,0,0,0|2,0,0]=3 3409 B16R1.609 CC(C)CCSCCC(=O)c1ccccc1 62a_100000750707_100000210312 [0,1,0,0,0,0|2,0,0]=3 3410 B16R1.609 CC(C)CCSCCS(=O)c1ccccc1 62a_100000210312_100000740319 [0,1,0,0,0,0|3,0,0]=4 3411 B16R1.609 CC(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000210312 [0,1,0,0,0,0|1,0,0]=2 3412 B16R1.609 CC(C)CCSCOC(=O)c1ccccc1 62a_100000210312_100000073877 [0,1,0,0,0,0|1,0,0]=2 3413 B16R1.609 CC(C)CNCCCC(=O)c1ccccc1 2230a_100000210953_100000211006 [0,1,0,0,0,0|2,0,0]=3 3414 B16R1.609 CC(C)CNCCNC(=O)c1ccccc1 2230a_100000736134_100000210760 [0,1,0,0,0,0|2,0,0]=3 3415 B16R1.609 CC(C)CNCCNC(=O)c1ccccc1 270004a_100000736134_100000210432 [0,1,0,0,0,0|2,0,0]=3 3416 B16R1.609 CC(C)CNCCNC(=O)c1ccncc1 2230a_200011198449_100000210760 [0,1,0,0,0,0|3,0,0]=4 3417 B16R1.609 CC(C)CNCCNC(=O)c1ccncc1 270004a_200011198449_100000210432 [0,1,0,0,0,0|3,0,0]=4 3418 B16R1.609 CC(C)CNCCOC(=O)c1ccccc1 34a_100000210953_100009812718 [0,1,0,0,0,0|1,0,0]=2 3419 B16R1.609 CC(C)CNCCOC(C)c1ccccc1 34a_100015185251_100000211855 [0,1,0,0,0,0|2,0,1]=4 3420 B16R1.609 CC(C)COCCNC(=O)c1ccccc1 34a_200000158897_100000210624 [0,1,0,0,0,0|2,0,0]=3 3421 B16R1.609 CC(C)COCCNC(=O)c1ccccc1 7a_200000158897_100000210760 [0,1,0,0,0,0|2,0,0]=3 3422 B16R1.609 CC(C)COCCOC(=O)c1ccccc1 34a_100000210257_100009812718 [0,1,0,0,0,0|1,0,0]=2 3423 B16R1.609 CC(C)COCCOC(=O)c1ccccc1 7a_100000025465_100000210760 [0,1,0,0,0,0|1,0,0]=2 3424 B16R1.609 CC(C)COCCOC(C)c1ccccc1 34a_100000703358_100000211855 [0,1,0,0,0,0|2,0,1]=4 3425 B16R1.609 CC(C)COCCOC(C)c1ccccc1 7a_100000703358_100000230085 [0,1,0,0,0,0|2,0,1]=4 3426 B16R1.609 CC(C)CSCCCC(=O)c1ccccc1 62a_100000210624_100000211006 [0,1,0,0,0,0|2,0,0]=3 3427 B16R1.609 CC(C)CSCCCC(=O)c1ccccc1 62a_100000211006_100000210760 [0,1,0,0,0,0|2,0,0]=3 3428 B16R1.609 CC(C)CSCCNC(=O)c1ccccc1 62a_100000210624_200011215302 [0,1,0,0,0,0|2,0,0]=3 3429 B16R1.609 CC(C)CSCCNC(=O)c1ccccc1 62a_200011215302_100000210760 [0,1,0,0,0,0|2,0,0]=3 3430 B16R1.609 CC(C)CSCCOC(=O)c1ccccc1 62a_100000210624_100009812718 [0,1,0,0,0,0|1,0,0]=2 3431 B16R1.609 CC(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100000210760 [0,1,0,0,0,0|1,0,0]=2 3432 B16R1.609 CC(C)CSCCOC(C)c1ccccc1 34a_200000230437_100000211855 [0,1,0,0,0,0|2,0,1]=4 3433 B16R1.609 CC(C)CSCCOC(C)c1ccccc1 7a_200000230437_100000230085 [0,1,0,0,0,0|2,0,1]=4 3434 B16R1.609 CC(C)NCCCOC(=O)c1ccccc1 34a_100138425928_200009892979 [0,1,0,0,0,0|1,0,0]=2 3435 B16R1.609 CC(C)NCCCOC(C)c1ccccc1 2230a_100000206020_100000210206 [0,1,0,0,0,0|2,0,1]=4 3436 B16R1.609 CC(C)NCCCOC(C)c1ccccc1 34a_100000182298_100000211855 [0,1,0,0,0,0|2,0,1]=4 3437 B16R1.609 CC(C)NCCCOC(C)c1ccccc1 34a_100000206020_100000210206 [0,1,0,0,0,0|2,0,1]=4 3438 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 11a_100000737246_100000185807 [0,1,0,0,0,0|2,0,0]=3 3439 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 1626a_100000737246_100000185807 [0,1,0,0,0,0|2,0,0]=3 3440 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 240690a_100000737246_100000185807 [0,1,0,0,0,0|2,0,0]=3 3441 B16R1.609 CC(C)OCCCNC(=O)c1ccccc1 527a_100000737246_100000185807 [0,1,0,0,0,0|2,0,0]=3 3442 B16R1.609 CC(C)OCCCOC(=O)c1ccccc1 34a_100000212225_200009892979 [0,1,0,0,0,0|1,0,0]=2 3443 B16R1.609 CC(C)OCCOCC(=O)c1ccccc1 7a_100000211219_100000211460 [0,1,0,0,0,0|3,0,0]=4 3444 B16R1.609 CC(C)OCCSCC(=O)c1ccccc1 62a_100000211460_100000211751 [0,1,0,0,0,0|3,0,0]=4 3445 B16R1.609 CC(C)OCCSCC(=O)c1ccccc1 62a_100000211751_100000211460 [0,1,0,0,0,0|3,0,0]=4 3446 B16R1.609 CC(C)OCSCCC(=O)c1ccccc1 62a_100000709892_100000750707 [0,1,0,0,0,0|3,0,0]=4 3447 B16R1.609 CC(C)OCSCCC(=O)c1ccccc1 62a_100000750707_100000709892 [0,1,0,0,0,0|3,0,0]=4 3448 B16R1.609 CC(C)OCSCOC(=O)c1ccccc1 62a_100000073877_100000709892 [0,1,0,0,0,0|2,0,0]=3 3449 B16R1.609 CC(C)OCSCOC(=O)c1ccccc1 62a_100000709892_100000073877 [0,1,0,0,0,0|2,0,0]=3 3450 B16R1.609 CC(C)SCCCOC(=O)c1ccccc1 62a_100000210206_200009892979 [0,1,0,0,0,0|1,0,0]=2 3451 B16R1.609 CC(C)SCCCOC(=O)c1ccccc1 62a_200009892979_100000210206 [0,1,0,0,0,0|1,0,0]=2 3452 B16R1.609 CC(C)SCCOCC(=O)c1ccccc1 7a_200011212901_100000211460 [0,1,0,0,0,0|3,0,0]=4 3453 B16R1.609 CC(C)SCCSCC(=O)c1ccccc1 62a_100000211460_100000730970 [0,1,0,0,0,0|3,0,0]=4 3454 B16R1.609 CC(C)SCCSCC(=O)c1ccccc1 62a_100000730970_100000211460 [0,1,0,0,0,0|3,0,0]=4 3455 B16R1.609 CC(F)COCCOC(=O)c1ccccc1 34a_100015925927_100009812718 [0,1,0,0,0,0|1,0,0]=2 3456 B16R1.609 CC(O)CCCSCC(=O)c1ccccc1 62a_100000211460_200000718107 [0,1,0,0,0,0|2,0,0]=3 3457 B16R1.609 CC(O)CCCSCC(=O)c1ccccc1 62a_200000718107_100000211460 [0,1,0,0,0,0|2,0,0]=3 3458 B16R1.609 CC(O)CCCSCC(=O)c1ccccn1 62a_100000027445_200000718107 [0,1,0,0,0,0|3,0,0]=4 3459 B16R1.609 CC(O)CCCSCC(=O)c1ccccn1 62a_200000718107_100000027445 [0,1,0,0,0,0|3,0,0]=4 3460 B16R1.609 CC(O)CCCSCC(=O)c1cccnc1 62a_100000757877_200000718107 [0,1,0,0,0,0|3,0,0]=4 3461 B16R1.609 CC(O)CCCSCC(=O)c1cccnc1 62a_200000718107_100000757877 [0,1,0,0,0,0|3,0,0]=4 3462 B16R1.609 CC(O)CCCSCC(=O)c1ccncc1 62a_100000027454_200000718107 [0,1,0,0,0,0|3,0,0]=4 3463 B16R1.609 CC(O)CCCSCC(=O)c1ccncc1 62a_200000718107_100000027454 [0,1,0,0,0,0|3,0,0]=4 3464 B16R1.609 CC(O)CCCSCS(=O)c1ccccc1 62a_200000718107_100000031784 [0,1,0,0,0,0|3,0,0]=4 3465 B16R1.609 CC(O)CCNCCC(=O)c1ccccc1 2230a_200000755665_100000750707 [0,1,0,0,0,0|2,0,0]=3 3466 B16R1.609 CC(O)CCNCCS(=O)c1ccccc1 2230a_200000755665_100000740319 [0,1,0,0,0,0|3,0,0]=4 3467 B16R1.609 CC(O)CCSCCC(=O)c1ccccc1 62a_100000750707_100012276601 [0,1,0,0,0,0|2,0,0]=3 3468 B16R1.609 CC(O)CCSCCC(=O)c1ccccc1 62a_100012276601_100000750707 [0,1,0,0,0,0|2,0,0]=3 3469 B16R1.609 CC(O)CCSCCS(=O)c1ccccc1 62a_100012276601_100000740319 [0,1,0,0,0,0|3,0,0]=4 3470 B16R1.609 CC(O)CCSCOC(=O)c1ccccc1 62a_100000073877_100012276601 [0,1,0,0,0,0|1,0,0]=2 3471 B16R1.609 CC(O)CCSCOC(=O)c1ccccc1 62a_100012276601_100000073877 [0,1,0,0,0,0|1,0,0]=2 3472 B16R1.609 CC(O)CNCCCC(=O)c1ccccc1 2230a_100000210904_100000211006 [0,1,0,0,0,0|2,0,0]=3 3473 B16R1.609 CC(O)CNCCNC(=O)c1ccccc1 2230a_100000736134_100011218427 [0,1,0,0,0,0|2,0,0]=3 3474 B16R1.609 CC(O)CNCCNC(=O)c1ccncc1 2230a_200011198449_100011218427 [0,1,0,0,0,0|3,0,0]=4 3475 B16R1.609 CC(O)CNCCOC(=O)c1ccccc1 34a_100000210904_100009812718 [0,1,0,0,0,0|1,0,0]=2 3476 B16R1.609 CC(O)COCCNC(=O)c1ccccc1 34a_200000158897_100011218427 [0,1,0,0,0,0|2,0,0]=3 3477 B16R1.609 CC(O)COCCNC(=O)c1ccccc1 7a_200000158897_100011218427 [0,1,0,0,0,0|2,0,0]=3 3478 B16R1.609 CC(O)COCCOC(=O)c1ccccc1 7a_100000025465_100011218427 [0,1,0,0,0,0|1,0,0]=2 3479 B16R1.609 CC(O)CSCCCC(=O)c1ccccc1 62a_100000211006_100011218427 [0,1,0,0,0,0|2,0,0]=3 3480 B16R1.609 CC(O)CSCCCC(=O)c1ccccc1 62a_100011218427_100000211006 [0,1,0,0,0,0|2,0,0]=3 3481 B16R1.609 CC(O)CSCCNC(=O)c1ccccc1 62a_100011218427_200011215302 [0,1,0,0,0,0|2,0,0]=3 3482 B16R1.609 CC(O)CSCCNC(=O)c1ccccc1 62a_200011215302_100011218427 [0,1,0,0,0,0|2,0,0]=3 3483 B16R1.609 CC(O)CSCCOC(=O)c1ccccc1 62a_100009812718_100011218427 [0,1,0,0,0,0|1,0,0]=2 3484 B16R1.609 CC(O)CSCCOC(=O)c1ccccc1 62a_100011218427_100009812718 [0,1,0,0,0,0|1,0,0]=2 3485 B16R1.609 CN(C)CCCCNC(=O)c1ccccc1 240690a_100025707445_100000185807 [0,1,0,0,0,0|2,0,0]=3 3486 B16R1.609 CN(C)CCCCOC(=O)c1ccccc1 269982a_100102631434_100000039408 [0,1,0,0,0,0|1,0,0]=2 3487 B16R1.609 CN(C)CCCSCC(=O)c1ccccc1 62a_100000211460_100000757444 [0,1,0,0,0,0|3,0,0]=4 3488 B16R1.609 CN(C)CCSCCC(=O)c1ccccc1 62a_100000750707_100000755713 [0,1,0,0,0,0|3,0,0]=4 3489 B16R1.609 CN(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000755713 [0,1,0,0,0,0|2,0,0]=3 3490 B16R1.609 C[C@@H](Cl)COCCOC(=O)c1ccccc1 34a_100016084084_100009812718 [0,1,0,0,0,0|1,0,0]=2 3491 B16R1.609 C[C@@H](N)COCCOC(=O)c1ccccc1 34a_100000737577_100009812718 [0,1,0,0,0,0|1,0,0]=2 3492 B16R1.609 C[C@@H](O)CNCCNC(=O)c1ccccc1 2230a_100000736134_100009817552 [0,1,0,0,0,0|2,0,0]=3 3493 B16R1.609 C[C@@H](O)CNCCNC(=O)c1ccncc1 2230a_200011198449_100009817552 [0,1,0,0,0,0|3,0,0]=4 3494 B16R1.609 C[C@@H](O)COCCNC(=O)c1ccccc1 34a_200000158897_100009817552 [0,1,0,0,0,0|2,0,0]=3 3495 B16R1.609 C[C@@H](O)COCCNC(=O)c1ccccc1 7a_200000158897_100009817552 [0,1,0,0,0,0|2,0,0]=3 3496 B16R1.609 C[C@@H](O)COCCOC(=O)c1ccccc1 7a_100000025465_100009817552 [0,1,0,0,0,0|1,0,0]=2 3497 B16R1.609 C[C@@H](O)CSCCCC(=O)c1ccccc1 62a_100000211006_100009817552 [0,1,0,0,0,0|2,0,0]=3 3498 B16R1.609 C[C@@H](O)CSCCCC(=O)c1ccccc1 62a_100009817552_100000211006 [0,1,0,0,0,0|2,0,0]=3 3499 B16R1.609 C[C@@H](O)CSCCNC(=O)c1ccccc1 62a_100009817552_200011215302 [0,1,0,0,0,0|2,0,0]=3 3500 B16R1.609 C[C@@H](O)CSCCNC(=O)c1ccccc1 62a_200011215302_100009817552 [0,1,0,0,0,0|2,0,0]=3 3501 B16R1.609 C[C@@H](O)CSCCOC(=O)c1ccccc1 62a_100009812718_100009817552 [0,1,0,0,0,0|1,0,0]=2 3502 B16R1.609 C[C@@H](O)CSCCOC(=O)c1ccccc1 62a_100009817552_100009812718 [0,1,0,0,0,0|1,0,0]=2 3503 B16R1.609 NC(=O)CCCCCC(=O)c1ccccc1 1458a_100000185807_100009817443 [0,1,0,0,0,0|2,0,1]=4 3504 B16R1.609 NC(=O)CCCCNC(=O)c1ccccc1 11a_100000696515_100000185807 [0,1,0,0,0,0|2,0,1]=4 3505 B16R1.609 NC(=O)CCCCNC(=O)c1ccccc1 1626a_100000696515_100000185807 [0,1,0,0,0,0|2,0,1]=4 3506 B16R1.609 NC(=O)CCCCNC(=O)c1ccccc1 240690a_100000696515_100000185807 [0,1,0,0,0,0|2,0,1]=4 3507 B16R1.609 NC(=O)CCCCNC(=O)c1ccccc1 527a_100000696515_100000185807 [0,1,0,0,0,0|2,0,1]=4 3508 B16R1.609 NC(=O)CCOCOC(=O)c1ccccc1 7a_100000757172_100000073877 [0,1,0,0,0,0|2,0,1]=4 3509 B16R1.609 NC(=O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000744528 [0,1,0,0,0,0|2,0,1]=4 3510 B16R1.609 NC(=O)CCSCOC(=O)c1ccccc1 62a_100000744528_100000073877 [0,1,0,0,0,0|2,0,1]=4 3511 B16R1.609 NC(=O)COCCOC(=O)c1ccccc1 7a_100000025465_100000187820 [0,1,0,0,0,0|2,0,1]=4 3512 B16R1.609 NC(=O)CSCCOC(=O)c1ccccc1 62a_100000747473_100009812718 [0,1,0,0,0,0|2,0,1]=4 3513 B16R1.609 NC(=O)CSCCOC(=O)c1ccccc1 62a_100009812718_100000747473 [0,1,0,0,0,0|2,0,1]=4 3514 B16R1.609 O=C(CCCCCB(O)O)c1ccccc1 1458a_100000185807_200009817188 [0,1,0,0,0,0|3,0,0]=4 3515 B16R1.609 O=C(CCCSCC(F)F)c1ccccc1 62a_100000211006_100011934356 [0,1,0,0,0,0|3,0,0]=4 3516 B16R1.609 O=C(CCCSCC(F)F)c1ccccc1 62a_100011934356_100000211006 [0,1,0,0,0,0|3,0,0]=4 3517 B16R1.609 O=C(NCCNCC(F)F)c1ccccc1 2230a_100000736134_100011934356 [0,1,0,0,0,0|3,0,0]=4 3518 B16R1.609 O=C(NCCOCC(F)F)c1ccccc1 34a_200000158897_100011934356 [0,1,0,0,0,0|3,0,0]=4 3519 B16R1.609 O=C(NCCOCC(F)F)c1ccccc1 7a_200000158897_100011934356 [0,1,0,0,0,0|3,0,0]=4 3520 B16R1.609 O=C(NCCSCC(F)F)c1ccccc1 62a_100011934356_200011215302 [0,1,0,0,0,0|3,0,0]=4 3521 B16R1.609 O=C(NCCSCC(F)F)c1ccccc1 62a_200011215302_100011934356 [0,1,0,0,0,0|3,0,0]=4 3522 B16R1.609 O=C(O)CNCCOC(=O)c1ccccc1 269956a_100016091260_100009812718 [0,1,0,0,0,0|2,0,1]=4 3523 B16R1.609 O=C(OCCNCC(F)F)c1ccccc1 34a_100000765723_100009812718 [0,1,0,0,0,0|2,0,0]=3 3524 B16R1.609 O=C(OCCOCC(F)F)c1ccccc1 34a_100000743014_100009812718 [0,1,0,0,0,0|2,0,0]=3 3525 B16R1.609 O=C(OCCOCC(F)F)c1ccccc1 7a_100000025465_100011934356 [0,1,0,0,0,0|2,0,0]=3 3526 B16R1.609 O=C(OCCSCC(F)F)c1ccccc1 62a_100009812718_100011934356 [0,1,0,0,0,0|2,0,0]=3 3527 B16R1.609 O=C(OCCSCC(F)F)c1ccccc1 62a_100011934356_100009812718 [0,1,0,0,0,0|2,0,0]=3 3528 B16R1.609 O=C(OCCSC[N+](=O)[O-])c1ccccc1 62a_100009812718_100000761209 [0,1,0,0,0,0|3,0,0]=4 3529 B16R1.609 O=C([O-])CSCCOC(=O)c1ccccc1 62a_100009812718_100020667443 [0,1,0,0,0,0|2,0,1]=4 3530 B16R1.609 O=C([O-])CSCCOC(=O)c1ccccc1 62a_100020667443_100009812718 [0,1,0,0,0,0|2,0,1]=4 3531 B16R1.609 [13CH3]C(=O)CCCCNC(=O)c1ccccc1 1458a_100000689376_200025704644 [0,1,0,0,0,0|1,0,1]=3 3532 B16R1.641 C#CC(OCCCCCC)c1ccccc1 34a_100011219616_100000210314 [0,1,0,0,0,0|1,0,1]=3 3533 B16R1.641 C#CC(OCCCCCC)c1ccccc1 7a_100011219616_100000210314 [0,1,0,0,0,0|1,0,1]=3 3534 B16R1.641 C#CC(OCCCCCF)c1ccccc1 34a_100011219616_100000729378 [0,1,0,0,0,0|2,0,1]=4 3535 B16R1.641 C#CC(OCCCCCF)c1ccccc1 7a_100011219616_100000729378 [0,1,0,0,0,0|2,0,1]=4 3536 B16R1.641 C#CC(OCCCCCO)c1ccccc1 34a_100011219616_100000746330 [0,1,0,0,0,0|2,0,1]=4 3537 B16R1.641 C#CC(OCCCCCO)c1ccccc1 7a_100011219616_100000746330 [0,1,0,0,0,0|2,0,1]=4 3538 B16R1.641 C#CC(OCCCCOC)c1ccccc1 34a_100011219616_100000755781 [0,1,0,0,0,0|2,0,1]=4 3539 B16R1.641 C#CC(OCCCCOC)c1ccccc1 7a_100011219616_100000730899 [0,1,0,0,0,0|2,0,1]=4 3540 B16R1.641 C#CC(OCCCOCC)c1ccccc1 34a_100011219616_100012232248 [0,1,0,0,0,0|2,0,1]=4 3541 B16R1.641 C#CC(OCCCOCC)c1ccccc1 7a_100011219616_100012232248 [0,1,0,0,0,0|2,0,1]=4 3542 B16R1.641 C#CC(OCCOCCC)c1ccccc1 34a_100011219616_100011215938 [0,1,0,0,0,0|2,0,1]=4 3543 B16R1.641 C#CC(OCCOCCC)c1ccccc1 7a_100011219616_100011215938 [0,1,0,0,0,0|2,0,1]=4 3544 B16R1.641 C#CC(OCOCCCC)c1ccccc1 34a_100011219616_100011995733 [0,1,0,0,0,0|2,0,1]=4 3545 B16R1.641 C=CC(=NNCCCCC)c1ccccc1 4a_100000694160_200000750708 [0,1,0,0,0,0|3,0,0]=4 3546 B16R1.641 C=CC(NCCCCCC)c1ccccc1 2230a_100000210581_200000085779 [0,1,0,0,0,0|2,0,1]=4 3547 B16R1.641 C=CC(OCCCCCC)c1ccccc1 34a_100011215659_100000210314 [0,1,0,0,0,0|1,0,1]=3 3548 B16R1.641 C=CC(OCCCCCC)c1ccccc1 7a_100011215659_100000210314 [0,1,0,0,0,0|1,0,1]=3 3549 B16R1.641 C=CC(OCCCCCF)c1ccccc1 34a_100011215659_100000729378 [0,1,0,0,0,0|2,0,1]=4 3550 B16R1.641 C=CC(OCCCCCF)c1ccccc1 7a_100011215659_100000729378 [0,1,0,0,0,0|2,0,1]=4 3551 B16R1.641 C=CC(OCCCCCO)c1ccccc1 34a_100011215659_100000746330 [0,1,0,0,0,0|2,0,1]=4 3552 B16R1.641 C=CC(OCCCCCO)c1ccccc1 7a_100011215659_100000746330 [0,1,0,0,0,0|2,0,1]=4 3553 B16R1.641 C=CC(OCCCCOC)c1ccccc1 34a_100011215659_100000755781 [0,1,0,0,0,0|2,0,1]=4 3554 B16R1.641 C=CC(OCCCCOC)c1ccccc1 7a_100011215659_100000730899 [0,1,0,0,0,0|2,0,1]=4 3555 B16R1.641 C=CC(OCCCOCC)c1ccccc1 34a_100011215659_100012232248 [0,1,0,0,0,0|2,0,1]=4 3556 B16R1.641 C=CC(OCCCOCC)c1ccccc1 7a_100011215659_100012232248 [0,1,0,0,0,0|2,0,1]=4 3557 B16R1.641 C=CC(OCCOCCC)c1ccccc1 34a_100011215659_100011215938 [0,1,0,0,0,0|2,0,1]=4 3558 B16R1.641 C=CC(OCCOCCC)c1ccccc1 7a_100011215659_100011215938 [0,1,0,0,0,0|2,0,1]=4 3559 B16R1.641 C=CC(OCOCCCC)c1ccccc1 34a_100011215659_100011995733 [0,1,0,0,0,0|2,0,1]=4 3560 B16R1.641 C=CC(SCCCCCC)c1ccccc1 62a_100000210314_200000085779 [0,1,0,0,0,0|1,1,1]=4 3561 B16R1.641 C=CC(SCCCCCC)c1ccccc1 62a_200000085779_100000210757 [0,1,0,0,0,0|1,1,1]=4 3562 B16R1.641 CCC(OCCCCCF)c1ccccc1 34a_100000698172_100000729378 [0,1,0,0,0,0|2,0,1]=4 3563 B16R1.641 CCC(OCCCCCF)c1ccccc1 7a_100000698172_100000729378 [0,1,0,0,0,0|2,0,1]=4 3564 B16R1.641 CCC(OCCCCCO)c1ccccc1 34a_100000698172_100000746330 [0,1,0,0,0,0|2,0,1]=4 3565 B16R1.641 CCC(OCCCCCO)c1ccccc1 7a_100000698172_100000746330 [0,1,0,0,0,0|2,0,1]=4 3566 B16R1.641 CCC(OCCCCOC)c1ccccc1 34a_100000698172_100000755781 [0,1,0,0,0,0|2,0,1]=4 3567 B16R1.641 CCC(OCCCCOC)c1ccccc1 7a_100000698172_100000730899 [0,1,0,0,0,0|2,0,1]=4 3568 B16R1.641 CCCCCCCC(NC)c1ccccc1 269862a_106832991636_100000211788 [0,1,0,0,0,0|2,0,1]=4 3569 B16R1.641 CCCCCCCN(CC)c1ccccc1 2230a_100000210013_100000210681 [0,1,0,0,0,0|3,0,0]=4 3570 B16R1.641 CCCCCCCN(CC)c1ccccc1 269982a_100000210013_100000210681 [0,1,0,0,0,0|3,0,0]=4 3571 B16R1.641 CCCCCCCN(CC)c1ccccc1 34a_100000210013_100000210614 [0,1,0,0,0,0|3,0,0]=4 3572 B16R1.641 CCCCCCNC(CC)c1ccccc1 2230a_100000737752_100000210314 [0,1,0,0,0,0|2,0,1]=4 3573 B16R1.641 CCCCCCNC(CC)c1ccccc1 269862a_100000210581_100000210124 [0,1,0,0,0,0|2,0,1]=4 3574 B16R1.641 CCCCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210314 [0,1,0,0,0,0|1,0,2]=4 3575 B16R1.641 CCCCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210314 [0,1,0,0,0,0|1,0,2]=4 3576 B16R1.641 CCCCCCOC(C#N)c1ccccc1 7a_100011217353_100000210314 [0,1,0,0,0,0|1,0,1]=3 3577 B16R1.641 CCCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210314 [0,1,0,0,0,0|1,0,1]=3 3578 B16R1.641 CCCCCCOC(CC)c1ccccc1 34a_100000698172_100000210314 [0,1,0,0,0,0|1,0,1]=3 3579 B16R1.641 CCCCCCOC(CC)c1ccccc1 7a_100000698172_100000210314 [0,1,0,0,0,0|1,0,1]=3 3580 B16R1.641 CCCCCCOC(CN)c1ccccc1 34a_100000210709_100000210314 [0,1,0,0,0,0|1,0,1]=3 3581 B16R1.641 CCCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210314 [0,1,0,0,0,0|1,0,1]=3 3582 B16R1.641 CCCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210314 [0,1,0,0,0,0|1,0,1]=3 3583 B16R1.641 CCCCCNN=C(CC)c1ccccc1 4a_100000694160_100000210124 [0,1,0,0,0,0|3,0,0]=4 3584 B16R1.641 CCCCCNN=C(CF)c1ccccc1 4a_100000694160_100000069468 [0,1,0,0,0,0|3,0,0]=4 3585 B16R1.641 CCCCCNN=C(CO)c1ccccc1 4a_100000694160_100000748912 [0,1,0,0,0,0|2,0,1]=4 3586 B16R1.641 CCCCOCOC(CC)c1ccccc1 34a_100000698172_100011995733 [0,1,0,0,0,0|2,0,1]=4 3587 B16R1.641 CCCCOCOC(CN)c1ccccc1 34a_100000210709_100011995733 [0,1,0,0,0,0|2,0,1]=4 3588 B16R1.641 CCCCOCO[C@H](CCl)c1ccccc1 34a_100011933945_100011995733 [0,1,0,0,0,0|2,0,1]=4 3589 B16R1.641 CCCOCCOC(C#N)c1ccccc1 7a_100011217353_100011215938 [0,1,0,0,0,0|2,0,1]=4 3590 B16R1.641 CCCOCCOC(CBr)c1ccccc1 7a_100000185958_100011215938 [0,1,0,0,0,0|2,0,1]=4 3591 B16R1.641 CCCOCCOC(CC)c1ccccc1 34a_100000698172_100011215938 [0,1,0,0,0,0|2,0,1]=4 3592 B16R1.641 CCCOCCOC(CC)c1ccccc1 7a_100000698172_100011215938 [0,1,0,0,0,0|2,0,1]=4 3593 B16R1.641 CCCOCCOC(CN)c1ccccc1 34a_100000210709_100011215938 [0,1,0,0,0,0|2,0,1]=4 3594 B16R1.641 CCCOCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011215938 [0,1,0,0,0,0|2,0,1]=4 3595 B16R1.641 CCCOCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215938 [0,1,0,0,0,0|2,0,1]=4 3596 B16R1.641 CCOCCCOC(C#N)c1ccccc1 7a_100011217353_100012232248 [0,1,0,0,0,0|2,0,1]=4 3597 B16R1.641 CCOCCCOC(CBr)c1ccccc1 7a_100000185958_100012232248 [0,1,0,0,0,0|2,0,1]=4 3598 B16R1.641 CCOCCCOC(CC)c1ccccc1 34a_100000698172_100012232248 [0,1,0,0,0,0|2,0,1]=4 3599 B16R1.641 CCOCCCOC(CC)c1ccccc1 7a_100000698172_100012232248 [0,1,0,0,0,0|2,0,1]=4 3600 B16R1.641 CCOCCCOC(CN)c1ccccc1 34a_100000210709_100012232248 [0,1,0,0,0,0|2,0,1]=4 3601 B16R1.641 CCOCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100012232248 [0,1,0,0,0,0|2,0,1]=4 3602 B16R1.641 CCOCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100012232248 [0,1,0,0,0,0|2,0,1]=4 3603 B16R1.641 COCCCCOC(C#N)c1ccccc1 7a_100011217353_100000730899 [0,1,0,0,0,0|2,0,1]=4 3604 B16R1.641 COCCCCOC(CBr)c1ccccc1 7a_100000185958_100000730899 [0,1,0,0,0,0|2,0,1]=4 3605 B16R1.641 COCCCCOC(CN)c1ccccc1 34a_100000210709_100000755781 [0,1,0,0,0,0|2,0,1]=4 3606 B16R1.641 COCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000755781 [0,1,0,0,0,0|2,0,1]=4 3607 B16R1.641 COCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000730899 [0,1,0,0,0,0|2,0,1]=4 3608 B16R1.641 FCCCCCOC(CBr)c1ccccc1 7a_100000185958_100000729378 [0,1,0,0,0,0|2,0,1]=4 3609 B16R1.641 FCCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000729378 [0,1,0,0,0,0|2,0,1]=4 3610 B16R1.641 FCCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000729378 [0,1,0,0,0,0|2,0,1]=4 3611 B16R1.641 N#CC(OCCCCCF)c1ccccc1 7a_100011217353_100000729378 [0,1,0,0,0,0|2,0,1]=4 3612 B16R1.641 N#CC(OCCCCCO)c1ccccc1 7a_100011217353_100000746330 [0,1,0,0,0,0|2,0,1]=4 3613 B16R1.641 NCC(OCCCCCF)c1ccccc1 34a_100000210709_100000729378 [0,1,0,0,0,0|2,0,1]=4 3614 B16R1.641 NCC(OCCCCCO)c1ccccc1 34a_100000210709_100000746330 [0,1,0,0,0,0|2,0,1]=4 3615 B16R1.641 OCCCCCOC(CBr)c1ccccc1 7a_100000185958_100000746330 [0,1,0,0,0,0|2,0,1]=4 3616 B16R1.641 OCCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000746330 [0,1,0,0,0,0|2,0,1]=4 3617 B16R1.641 OCCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000746330 [0,1,0,0,0,0|2,0,1]=4 3618 B16R1.700 C#CCCC(=O)COC(=O)c1ccccc1 1458a_100000692101_100000073877 [0,1,0,0,0,0|0,0,3]=4 3619 B16R1.700 C=CCCC(=O)COC(=O)c1ccccc1 1458a_100000749702_100000073877 [0,1,0,0,0,0|0,0,3]=4 3620 B16R1.700 C=CCCN(C)COC(=O)c1ccccc1 269982a_100020639649_100000073877 [0,1,0,0,0,0|1,0,2]=4 3621 B16R1.700 C=CCNC(C)COC(=O)c1ccccc1 270004a_100020586998_100000000904 [0,1,0,0,0,0|1,0,2]=4 3622 B16R1.700 CC(CCC(=O)c1ccccc1)OCCF 7a_200012571355_100011217306 [0,1,0,0,0,0|3,0,0]=4 3623 B16R1.700 CC(CCC(=O)c1ccccc1)OCCO 7a_200012571355_100000211926 [0,1,0,0,0,0|3,0,0]=4 3624 B16R1.700 CC(CCCCl)OCC(=O)c1ccccc1 7a_200000718107_100000211460 [0,1,0,0,0,0|3,0,0]=4 3625 B16R1.700 CC(COC(=O)c1ccccc1)NCCO 270004a_100000210304_100000000904 [0,1,0,0,0,0|2,0,0]=3 3626 B16R1.700 CC=CCC(=O)COC(=O)c1ccccc1 1458a_100121576822_100000073877 [0,1,0,0,0,0|0,0,3]=4 3627 B16R1.700 CCC#CC(=O)COC(=O)c1ccccc1 1458a_100011827653_100000073877 [0,1,0,0,0,0|0,0,3]=4 3628 B16R1.700 CCC=CC(=O)COC(=O)c1ccccc1 1458a_100000212282_100000073877 [0,1,0,0,0,0|0,0,3]=4 3629 B16R1.700 CCCCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000210087 [0,1,0,0,0,0|2,0,1]=4 3630 B16R1.700 CCCCC(=O)CCC(=O)c1ccccc1 1458a_100000210183_100000750707 [0,1,0,0,0,0|1,0,1]=3 3631 B16R1.700 CCCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210211 [0,1,0,0,0,0|1,0,1]=3 3632 B16R1.700 CCCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210211 [0,1,0,0,0,0|2,0,1]=4 3633 B16R1.700 CCCCC(=O)COC(=O)c1ccccc1 1458a_100000210183_100000073877 [0,1,0,0,0,0|0,0,1]=2 3634 B16R1.700 CCCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210211 [0,1,0,0,0,0|0,2,1]=4 3635 B16R1.700 CCCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210183 [0,1,0,0,0,0|2,0,1]=4 3636 B16R1.700 CCCCC(=O)NNC(=O)c1ccccc1 22a_100000189769_100000185807 [0,1,0,0,0,0|2,0,1]=4 3637 B16R1.700 CCCCC(C)COC(C)c1ccccc1 34a_100011995851_100000211855 [0,1,0,0,0,0|1,0,1]=3 3638 B16R1.700 CCCCC(C)COC(C)c1ccccc1 7a_100011995851_100000230085 [0,1,0,0,0,0|1,0,1]=3 3639 B16R1.700 CCCCC(C)OCC(=O)c1ccccc1 7a_100000687866_100000211460 [0,1,0,0,0,0|2,0,0]=3 3640 B16R1.700 CCCCC(C)OCC(=O)c1ccccn1 34a_100000687866_100000027445 [0,1,0,0,0,0|3,0,0]=4 3641 B16R1.700 CCCCC(C)OCC(=O)c1ccccn1 7a_100000687866_100000027445 [0,1,0,0,0,0|3,0,0]=4 3642 B16R1.700 CCCCC(C)OCC(=O)c1ccncc1 7a_100000687866_100015248511 [0,1,0,0,0,0|3,0,0]=4 3643 B16R1.700 CCCCC(C)SCC(=O)c1ccccc1 62a_100000211460_200011215066 [0,1,0,0,0,0|2,0,0]=3 3644 B16R1.700 CCCCC(C)SCC(=O)c1ccccc1 62a_200011215066_100000211460 [0,1,0,0,0,0|2,0,0]=3 3645 B16R1.700 CCCCC(C)SCC(=O)c1ccccn1 62a_100000027445_200011215066 [0,1,0,0,0,0|3,0,0]=4 3646 B16R1.700 CCCCC(C)SCC(=O)c1ccccn1 62a_200011215066_100000027445 [0,1,0,0,0,0|3,0,0]=4 3647 B16R1.700 CCCCC(C)SCC(=O)c1cccnc1 62a_100000757877_200011215066 [0,1,0,0,0,0|3,0,0]=4 3648 B16R1.700 CCCCC(C)SCC(=O)c1cccnc1 62a_200011215066_100000757877 [0,1,0,0,0,0|3,0,0]=4 3649 B16R1.700 CCCCC(C)SCC(=O)c1ccncc1 62a_100000027454_200011215066 [0,1,0,0,0,0|3,0,0]=4 3650 B16R1.700 CCCCC(C)SCC(=O)c1ccncc1 62a_200011215066_100000027454 [0,1,0,0,0,0|3,0,0]=4 3651 B16R1.700 CCCCC(C)SCS(=O)c1ccccc1 62a_200011215066_100000031784 [0,1,0,0,0,0|3,0,0]=4 3652 B16R1.700 CCCCN(C)CCC(=O)c1ccccc1 2230a_100000207549_100000750707 [0,1,0,0,0,0|2,0,0]=3 3653 B16R1.700 CCCCN(C)CCC(=O)c1ccccc1 269982a_100000207549_100000750707 [0,1,0,0,0,0|2,0,0]=3 3654 B16R1.700 CCCCN(C)CCS(=O)c1ccccc1 2230a_100000207549_100000740319 [0,1,0,0,0,0|3,0,0]=4 3655 B16R1.700 CCCCN(C)CCS(=O)c1ccccc1 269982a_100000207549_100000740319 [0,1,0,0,0,0|3,0,0]=4 3656 B16R1.700 CCCCN(C)COC(=O)c1ccccc1 269982a_100000207549_100000073877 [0,1,0,0,0,0|1,0,0]=2 3657 B16R1.700 CCCC[C@H](N)COC(C)c1ccccc1 34a_100011934283_100000211855 [0,1,0,0,0,0|1,0,1]=3 3658 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 11a_100000174927_100000185807 [0,1,0,0,0,0|2,0,1]=4 3659 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 11a_100020643023_100000182045 [0,1,0,0,0,0|2,0,1]=4 3660 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 1626a_100000174927_100000185807 [0,1,0,0,0,0|2,0,1]=4 3661 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 1626a_100020643023_100000182045 [0,1,0,0,0,0|2,0,1]=4 3662 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 240690a_100000174927_100000185807 [0,1,0,0,0,0|2,0,1]=4 3663 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 240690a_100020643023_100000182045 [0,1,0,0,0,0|2,0,1]=4 3664 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 527a_100000174927_100000185807 [0,1,0,0,0,0|2,0,1]=4 3665 B16R1.700 CCCNC(=O)CNC(=O)c1ccccc1 527a_100020643023_100000182045 [0,1,0,0,0,0|2,0,1]=4 3666 B16R1.700 CCCNC(C)COC(=O)c1ccccc1 270004a_100020643023_100000000904 [0,1,0,0,0,0|1,0,0]=2 3667 B16R1.700 CCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210303 [0,1,0,0,0,0|2,0,0]=3 3668 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 11a_100015185124_100000185807 [0,1,0,0,0,0|2,0,0]=3 3669 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 1626a_100015185124_100000185807 [0,1,0,0,0,0|2,0,0]=3 3670 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 240690a_100015185124_100000185807 [0,1,0,0,0,0|2,0,0]=3 3671 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 527a_100015185124_100000185807 [0,1,0,0,0,0|2,0,0]=3 3672 B16R1.700 CCOCC(=O)CCC(=O)c1ccccc1 1458a_100000211967_100000750707 [0,1,0,0,0,0|2,0,1]=4 3673 B16R1.700 CCOCC(=O)COC(=O)c1ccccc1 1458a_100000211967_100000073877 [0,1,0,0,0,0|1,0,1]=3 3674 B16R1.700 CCOCC(C)OCC(=O)c1ccccc1 7a_100000718985_100000211460 [0,1,0,0,0,0|3,0,0]=4 3675 B16R1.700 CCOCC(O)CNC(=O)c1ccccc1 240690a_102515437182_100000185807 [0,1,0,0,0,0|2,0,0]=3 3676 B16R1.700 CCOCC(O)CNC(=O)c1ccccc1 527a_102515437182_100000185807 [0,1,0,0,0,0|2,0,0]=3 3677 B16R1.700 CCSCC(=O)CCC(=O)c1ccccc1 1458a_100000230394_100000750707 [0,1,0,0,0,0|2,0,1]=4 3678 B16R1.700 CCSCC(=O)COC(=O)c1ccccc1 1458a_100000230394_100000073877 [0,1,0,0,0,0|1,0,1]=3 3679 B16R1.700 CN(CCCO)CCC(=O)c1ccccc1 2230a_100000213112_100000750707 [0,1,0,0,0,0|3,0,0]=4 3680 B16R1.700 CN(CCCO)CCC(=O)c1ccccc1 269982a_100000213112_100000750707 [0,1,0,0,0,0|3,0,0]=4 3681 B16R1.700 CN(CCCO)COC(=O)c1ccccc1 269982a_100000213112_100000073877 [0,1,0,0,0,0|2,0,0]=3 3682 B16R1.700 COCCC(=O)CCC(=O)c1ccccc1 1458a_100000749529_100000750707 [0,1,0,0,0,0|2,0,1]=4 3683 B16R1.700 COCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000233755 [0,1,0,0,0,0|2,0,1]=4 3684 B16R1.700 COCCC(=O)COC(=O)c1ccccc1 1458a_100000749529_100000073877 [0,1,0,0,0,0|1,0,1]=3 3685 B16R1.700 COCCN(C)CCC(=O)c1ccccc1 2230a_100000743101_100000750707 [0,1,0,0,0,0|3,0,0]=4 3686 B16R1.700 COCCN(C)CCC(=O)c1ccccc1 269982a_100000743101_100000750707 [0,1,0,0,0,0|3,0,0]=4 3687 B16R1.700 COCCN(C)COC(=O)c1ccccc1 269982a_100000743101_100000073877 [0,1,0,0,0,0|2,0,0]=3 3688 B16R1.700 CSCCC(=O)CCC(=O)c1ccccc1 1458a_100000174002_100000750707 [0,1,0,0,0,0|2,0,1]=4 3689 B16R1.700 CSCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000751147 [0,1,0,0,0,0|2,0,1]=4 3690 B16R1.700 CSCCC(=O)COC(=O)c1ccccc1 1458a_100000174002_100000073877 [0,1,0,0,0,0|1,0,1]=3 3691 B16R1.700 CSCCN(C)CCC(=O)c1ccccc1 2230a_100000686725_100000750707 [0,1,0,0,0,0|3,0,0]=4 3692 B16R1.700 CSCCN(C)CCC(=O)c1ccccc1 269982a_100000686725_100000750707 [0,1,0,0,0,0|3,0,0]=4 3693 B16R1.700 CSCCN(C)COC(=O)c1ccccc1 269982a_100000686725_100000073877 [0,1,0,0,0,0|2,0,0]=3 3694 B16R1.700 CSCC[C@H](N)COC(C)c1ccccc1 34a_100011827619_100000211855 [0,1,0,0,0,0|2,0,1]=4 3695 B16R1.700 C[C@H](CCCO)CNC(=O)c1ccccc1 240690a_100160569302_100000185807 [0,1,0,0,0,0|2,0,0]=3 3696 B16R1.700 C[C@H](CCCO)CNC(=O)c1ccccc1 527a_100160569302_100000185807 [0,1,0,0,0,0|2,0,0]=3 3697 B16R1.700 N#CCCC(=O)COC(=O)c1ccccc1 1458a_100011934036_100000073877 [0,1,0,0,0,0|1,0,2]=4 3698 B16R1.700 O=C(CCCF)CNC(=O)c1ccccc1 1458a_100000182045_100011934791 [0,1,0,0,0,0|2,0,1]=4 3699 B16R1.700 O=C(CCCO)CNC(=O)c1ccccc1 1458a_100000182045_100011215043 [0,1,0,0,0,0|2,0,1]=4 3700 B16R1.705 C=C(C(=O)CCCCCC)c1ccccc1 1458a_100000065200_100000210757 [0,1,0,0,0,0|2,0,0]=3 3701 B16R1.705 C=C(C(=O)CCCCCF)c1ccccc1 1458a_100000065200_100000729378 [0,1,0,0,0,0|3,0,0]=4 3702 B16R1.705 C=C(C(=O)CCCCCO)c1ccccc1 1458a_100000065200_100000746330 [0,1,0,0,0,0|3,0,0]=4 3703 B16R1.705 C=C(C(=O)CCCCOC)c1ccccc1 1458a_100000065200_100000755781 [0,1,0,0,0,0|3,0,0]=4 3704 B16R1.705 C=C(C(=O)CCCOCC)c1ccccc1 1458a_100000065200_100012232248 [0,1,0,0,0,0|3,0,0]=4 3705 B16R1.705 C=C(C(=O)CCOCCC)c1ccccc1 1458a_100000065200_100011215938 [0,1,0,0,0,0|3,0,0]=4 3706 B16R1.705 C=C(C(=O)COCCCC)c1ccccc1 1458a_100000065200_100011995733 [0,1,0,0,0,0|3,0,0]=4 3707 B16R1.705 C=C(C(=O)NCCCCC)c1ccccc1 1626a_100000209983_100000065200 [0,1,0,0,0,0|3,0,0]=4 3708 B16R1.705 C=CCCCCN(C)C(=O)c1ccccc1 11a_100012000471_100000185807 [0,1,0,0,0,0|1,0,2]=4 3709 B16R1.705 C=CCCCCN(C)C(=O)c1ccccc1 1626a_100012000471_100000185807 [0,1,0,0,0,0|1,0,2]=4 3710 B16R1.705 C=CCCCCN(C)C(=O)c1ccccc1 240690a_100012000471_100000185807 [0,1,0,0,0,0|1,0,2]=4 3711 B16R1.705 C=CCCCCN(C)C(=O)c1ccccc1 527a_100012000471_100000185807 [0,1,0,0,0,0|1,0,2]=4 3712 B16R1.705 CC(NCCCCO)C(=O)c1ccccc1 2230a_100000750430_100000239700 [0,1,0,0,0,0|3,0,0]=4 3713 B16R1.705 CC(OCCCCCl)C(=O)c1ccccc1 7a_100000210776_100000239700 [0,1,0,0,0,0|3,0,0]=4 3714 B16R1.705 CC(OCCCCF)C(=O)c1ccccc1 7a_100011995726_100000239700 [0,1,0,0,0,0|3,0,0]=4 3715 B16R1.705 CC(SCCCCF)C(=O)c1ccccc1 62a_100000239700_100000729493 [0,1,0,0,0,0|3,0,0]=4 3716 B16R1.705 CC(SCCCCF)C(=O)c1ccccc1 62a_100000729493_100000239700 [0,1,0,0,0,0|3,0,0]=4 3717 B16R1.705 CC(SCCCCO)C(=O)c1ccccc1 62a_100000210776_100000239700 [0,1,0,0,0,0|3,0,0]=4 3718 B16R1.705 CC(SCCCCO)C(=O)c1ccccc1 62a_100000239700_100000210776 [0,1,0,0,0,0|3,0,0]=4 3719 B16R1.705 CCCCCCC(=O)C(C)c1ccccc1 1458a_100102632555_100000230085 [0,1,0,0,0,0|2,0,1]=4 3720 B16R1.705 CCCCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210757 [0,1,0,0,0,0|2,0,1]=4 3721 B16R1.705 CCCCCCC(=O)N(C)c1ccccc1 11a_100000210012_100102632555 [0,1,0,0,0,0|3,0,0]=4 3722 B16R1.705 CCCCCCC(=O)N(C)c1ccccc1 1626a_100000210012_100102632555 [0,1,0,0,0,0|3,0,0]=4 3723 B16R1.705 CCCCCCC(=O)N(C)c1ccccc1 22a_100000210012_100102632555 [0,1,0,0,0,0|3,0,0]=4 3724 B16R1.705 CCCCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210757 [0,1,0,0,0,0|2,0,1]=4 3725 B16R1.705 CCCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210757 [0,1,0,0,0,0|1,0,2]=4 3726 B16R1.705 CCCCCCC(C)C(=O)c1ccccc1 1458a_100000185807_100011215978 [0,1,0,0,0,0|1,0,0]=2 3727 B16R1.705 CCCCCCC(C)N(C)c1ccccc1 2230a_100000210012_100011215978 [0,1,0,0,0,0|3,0,0]=4 3728 B16R1.705 CCCCCCC(C)N(C)c1ccccc1 269982a_100000210012_100011215978 [0,1,0,0,0,0|3,0,0]=4 3729 B16R1.705 CCCCCCC(C)N(C)c1ccccc1 34a_100000210012_100011215978 [0,1,0,0,0,0|3,0,0]=4 3730 B16R1.705 CCCCCCN(C)C(=O)c1ccccc1 11a_106256046315_100000185807 [0,1,0,0,0,0|1,0,0]=2 3731 B16R1.705 CCCCCCN(C)C(=O)c1ccccc1 1626a_106256046315_100000185807 [0,1,0,0,0,0|1,0,0]=2 3732 B16R1.705 CCCCCCN(C)C(=O)c1ccccc1 240690a_106256046315_100000185807 [0,1,0,0,0,0|1,0,0]=2 3733 B16R1.705 CCCCCCN(C)C(=O)c1ccccc1 527a_106256046315_100000185807 [0,1,0,0,0,0|1,0,0]=2 3734 B16R1.705 CCCCCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210314 [0,1,0,0,0,0|2,0,1]=4 3735 B16R1.705 CCCCCCN(C)C(C)c1ccccc1 2230a_106256046315_100000230085 [0,1,0,0,0,0|2,0,1]=4 3736 B16R1.705 CCCCCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210757 [0,1,0,0,0,0|2,0,1]=4 3737 B16R1.705 CCCCCCN(C)C(C)c1ccccc1 269982a_106256046315_100000230085 [0,1,0,0,0,0|2,0,1]=4 3738 B16R1.705 CCCCCNC(C)C(=O)c1ccccc1 2230a_100000209983_100000239700 [0,1,0,0,0,0|2,0,0]=3 3739 B16R1.705 CCCCCOC(C)C(=O)c1ccccc1 7a_100000210253_100000239700 [0,1,0,0,0,0|2,0,0]=3 3740 B16R1.705 CCCCCSC(C)C(=O)c1ccccc1 62a_100000210326_100000239700 [0,1,0,0,0,0|2,0,0]=3 3741 B16R1.705 CCCCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210326 [0,1,0,0,0,0|2,0,0]=3 3742 B16R1.705 CCOCCNC(C)C(=O)c1ccccc1 2230a_102516460346_100000239700 [0,1,0,0,0,0|3,0,0]=4 3743 B16R1.705 CCOCCOC(C)C(=O)c1ccccc1 7a_100000210136_100000239700 [0,1,0,0,0,0|3,0,0]=4 3744 B16R1.705 CCOCCSC(C)C(=O)c1ccccc1 62a_100000210147_100000239700 [0,1,0,0,0,0|3,0,0]=4 3745 B16R1.705 CCOCCSC(C)C(=O)c1ccccc1 62a_100000239700_100011215890 [0,1,0,0,0,0|3,0,0]=4 3746 B16R1.705 CCSCCNC(C)C(=O)c1ccccc1 2230a_100000106463_100000239700 [0,1,0,0,0,0|3,0,0]=4 3747 B16R1.705 CCSCCOC(C)C(=O)c1ccccc1 7a_100000212035_100000239700 [0,1,0,0,0,0|3,0,0]=4 3748 B16R1.705 CCSCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000757381 [0,1,0,0,0,0|3,0,0]=4 3749 B16R1.705 CCSCCSC(C)C(=O)c1ccccc1 62a_100000757381_100000239700 [0,1,0,0,0,0|3,0,0]=4 3750 B16R1.705 CN(CCCCCO)C(=O)c1ccccc1 240690a_100000722520_100000185807 [0,1,0,0,0,0|2,0,0]=3 3751 B16R1.705 CN(CCOCCO)C(=O)c1ccccc1 240690a_100000228057_100000185807 [0,1,0,0,0,0|3,0,0]=4 3752 B16R1.705 COCCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000709357 [0,1,0,0,0,0|3,0,0]=4 3753 B16R1.705 COCCCSC(C)C(=O)c1ccccc1 62a_100000709357_100000239700 [0,1,0,0,0,0|3,0,0]=4 3754 B16R1.705 CSCCCNC(C)C(=O)c1ccccc1 2230a_100000749238_100000239700 [0,1,0,0,0,0|3,0,0]=4 3755 B16R1.705 CSCCCOC(C)C(=O)c1ccccc1 7a_100000690336_100000239700 [0,1,0,0,0,0|3,0,0]=4 3756 B16R1.929 C#CCC(=O)CCOC(=O)c1ccccc1 1458a_100011220946_100000184176 [0,1,0,0,0,0|0,0,3]=4 3757 B16R1.929 C#CCC(C)OCOC(=O)c1ccccc1 7a_100000685586_100000073877 [0,1,0,0,0,0|1,0,2]=4 3758 B16R1.929 C#CCN(C)CCOC(=O)c1ccccc1 34a_100000225692_100009812718 [0,1,0,0,0,0|1,0,2]=4 3759 B16R1.929 C=C(CCCC(=O)CCC)c1ccccc1 1458a_200009911520_100000210303 [0,1,0,0,0,0|2,0,1]=4 3760 B16R1.929 C=CCC(=O)CCOC(=O)c1ccccc1 1458a_100000210193_100000184176 [0,1,0,0,0,0|0,0,3]=4 3761 B16R1.929 C=CCN(C)CCOC(=O)c1ccccc1 269982a_100000225617_100009812718 [0,1,0,0,0,0|1,0,2]=4 3762 B16R1.929 C=CC[C@@H](C)OCOC(=O)c1ccccc1 7a_100000731007_100000073877 [0,1,0,0,0,0|1,0,2]=4 3763 B16R1.929 CC#CC(=O)CCOC(=O)c1ccccc1 1458a_100000763181_100000184176 [0,1,0,0,0,0|0,0,3]=4 3764 B16R1.929 CC(CC#N)SCOC(=O)c1ccccc1 62a_100000073877_100009813641 [0,1,0,0,0,0|2,0,1]=4 3765 B16R1.929 CC(CC#N)SCOC(=O)c1ccccc1 62a_100009813641_100000073877 [0,1,0,0,0,0|2,0,1]=4 3766 B16R1.929 CC(CCO)SCCC(=O)c1ccccc1 62a_100000750707_100009893172 [0,1,0,0,0,0|3,0,0]=4 3767 B16R1.929 CC(CCO)SCCC(=O)c1ccccc1 62a_100009893172_100000750707 [0,1,0,0,0,0|3,0,0]=4 3768 B16R1.929 CC(CCO)SCOC(=O)c1ccccc1 62a_100000073877_100009893172 [0,1,0,0,0,0|2,0,0]=3 3769 B16R1.929 CC(CCO)SCOC(=O)c1ccccc1 62a_100009893172_100000073877 [0,1,0,0,0,0|2,0,0]=3 3770 B16R1.929 CC=CC(=O)CCOC(=O)c1ccccc1 1458a_100000210699_100000184176 [0,1,0,0,0,0|0,0,3]=4 3771 B16R1.929 CCCC(=O)CCCC(=O)c1ccccc1 1458a_100000211992_100000211006 [0,1,0,0,0,0|1,0,1]=3 3772 B16R1.929 CCCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210303 [0,1,0,0,0,0|1,0,1]=3 3773 B16R1.929 CCCC(=O)CCNC(=O)c1ccccc1 1458a_100000211992_200011215302 [0,1,0,0,0,0|1,0,1]=3 3774 B16R1.929 CCCC(=O)CCOC(=O)c1ccccc1 1458a_100000211992_100000184176 [0,1,0,0,0,0|0,0,1]=2 3775 B16R1.929 CCCC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747444 [0,1,0,0,0,0|2,0,1]=4 3776 B16R1.929 CCCC(=O)CSCC(=O)c1ccccc1 62a_100000747444_100000211460 [0,1,0,0,0,0|2,0,1]=4 3777 B16R1.929 CCCC(C)C=NNC(=O)c1ccccc1 4a_100000184135_100000243154 [0,1,0,0,0,0|2,0,1]=4 3778 B16R1.929 CCCC(C)CCOC(C)c1ccccc1 34a_100011217855_100000211855 [0,1,0,0,0,0|1,0,1]=3 3779 B16R1.929 CCCC(C)CCOC(C)c1ccccc1 7a_100011217855_100000230085 [0,1,0,0,0,0|1,0,1]=3 3780 B16R1.929 CCCC(C)COCC(=O)c1ccccc1 7a_100000688023_100000211460 [0,1,0,0,0,0|2,0,0]=3 3781 B16R1.929 CCCC(C)COCC(=O)c1ccccn1 34a_100000688023_100000027445 [0,1,0,0,0,0|3,0,0]=4 3782 B16R1.929 CCCC(C)COCC(=O)c1ccccn1 7a_100000688023_100000027445 [0,1,0,0,0,0|3,0,0]=4 3783 B16R1.929 CCCC(C)COCC(=O)c1ccncc1 7a_100000688023_100015248511 [0,1,0,0,0,0|3,0,0]=4 3784 B16R1.929 CCCC(C)CSCC(=O)c1ccccc1 62a_100000211460_100011216630 [0,1,0,0,0,0|2,0,0]=3 3785 B16R1.929 CCCC(C)CSCC(=O)c1ccccc1 62a_100011216630_100000211460 [0,1,0,0,0,0|2,0,0]=3 3786 B16R1.929 CCCC(C)CSCC(=O)c1ccccn1 62a_100000027445_100011216630 [0,1,0,0,0,0|3,0,0]=4 3787 B16R1.929 CCCC(C)CSCC(=O)c1ccccn1 62a_100011216630_100000027445 [0,1,0,0,0,0|3,0,0]=4 3788 B16R1.929 CCCC(C)CSCC(=O)c1cccnc1 62a_100000757877_100011216630 [0,1,0,0,0,0|3,0,0]=4 3789 B16R1.929 CCCC(C)CSCC(=O)c1cccnc1 62a_100011216630_100000757877 [0,1,0,0,0,0|3,0,0]=4 3790 B16R1.929 CCCC(C)CSCC(=O)c1ccncc1 62a_100000027454_100011216630 [0,1,0,0,0,0|3,0,0]=4 3791 B16R1.929 CCCC(C)CSCC(=O)c1ccncc1 62a_100011216630_100000027454 [0,1,0,0,0,0|3,0,0]=4 3792 B16R1.929 CCCC(C)CSCS(=O)c1ccccc1 62a_100011216630_100000031784 [0,1,0,0,0,0|3,0,0]=4 3793 B16R1.929 CCCC(C)NCCC(=O)c1ccccc1 2230a_100000741246_100000750707 [0,1,0,0,0,0|2,0,0]=3 3794 B16R1.929 CCCC(C)NCCS(=O)c1ccccc1 2230a_100000741246_100000740319 [0,1,0,0,0,0|3,0,0]=4 3795 B16R1.929 CCCC(C)OCCC(=O)c1ccccc1 7a_100000764384_100000750707 [0,1,0,0,0,0|2,0,0]=3 3796 B16R1.929 CCCC(C)OCCS(=O)c1ccccc1 7a_100000764384_100000740319 [0,1,0,0,0,0|3,0,0]=4 3797 B16R1.929 CCCC(C)OCOC(=O)c1ccccc1 7a_100000764384_100000073877 [0,1,0,0,0,0|1,0,0]=2 3798 B16R1.929 CCCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000766640 [0,1,0,0,0,0|2,0,0]=3 3799 B16R1.929 CCCC(C)SCCC(=O)c1ccccc1 62a_100000766640_100000750707 [0,1,0,0,0,0|2,0,0]=3 3800 B16R1.929 CCCC(C)SCCS(=O)c1ccccc1 62a_100000766640_100000740319 [0,1,0,0,0,0|3,0,0]=4 3801 B16R1.929 CCCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000766640 [0,1,0,0,0,0|1,0,0]=2 3802 B16R1.929 CCCC(C)SCOC(=O)c1ccccc1 62a_100000766640_100000073877 [0,1,0,0,0,0|1,0,0]=2 3803 B16R1.929 CCCN(C)CCCC(=O)c1ccccc1 2230a_100000747261_100000211006 [0,1,0,0,0,0|2,0,0]=3 3804 B16R1.929 CCCN(C)CCCC(=O)c1ccccc1 269982a_100000747261_100000211006 [0,1,0,0,0,0|2,0,0]=3 3805 B16R1.929 CCCN(C)CCNC(=O)c1ccccc1 269982a_100000747261_200011215302 [0,1,0,0,0,0|2,0,0]=3 3806 B16R1.929 CCCN(C)CCOC(=O)c1ccccc1 269982a_100000747261_100009812718 [0,1,0,0,0,0|1,0,0]=2 3807 B16R1.929 CCC[C@H](N)CCOC(C)c1ccccc1 34a_100015193777_100000211855 [0,1,0,0,0,0|1,0,1]=3 3808 B16R1.929 CCC[C@H](N)COCC(=O)c1ccccn1 34a_100000732646_100000027445 [0,1,0,0,0,0|3,0,0]=4 3809 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 11a_100015525214_100000182757 [0,1,0,0,0,0|2,0,1]=4 3810 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 11a_100025743525_100000185807 [0,1,0,0,0,0|2,0,1]=4 3811 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 1626a_100025743525_100000185807 [0,1,0,0,0,0|2,0,1]=4 3812 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 240690a_100015525214_100000182757 [0,1,0,0,0,0|2,0,1]=4 3813 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 240690a_100025743525_100000185807 [0,1,0,0,0,0|2,0,1]=4 3814 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 527a_100015525214_100000182757 [0,1,0,0,0,0|2,0,1]=4 3815 B16R1.929 CCNC(=O)CCNC(=O)c1ccccc1 527a_100025743525_100000185807 [0,1,0,0,0,0|2,0,1]=4 3816 B16R1.929 CCOC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011215271 [0,1,0,0,0,0|2,0,1]=4 3817 B16R1.929 CCOC(=O)CCNC(=O)c1ccccc1 188690a_100000746078_100000185807 [0,1,0,0,0,0|2,0,1]=4 3818 B16R1.929 CN(CCO)CCCC(=O)c1ccccc1 2230a_100000210263_100000211006 [0,1,0,0,0,0|3,0,0]=4 3819 B16R1.929 CN(CCO)CCCC(=O)c1ccccc1 269982a_100000210263_100000211006 [0,1,0,0,0,0|3,0,0]=4 3820 B16R1.929 CN(CCO)CCNC(=O)c1ccccc1 269982a_100000210263_200011215302 [0,1,0,0,0,0|3,0,0]=4 3821 B16R1.929 CN(CCO)CCOC(=O)c1ccccc1 269982a_100000210263_100009812718 [0,1,0,0,0,0|2,0,0]=3 3822 B16R1.929 COCC(=O)CCCC(=O)c1ccccc1 1458a_100000210968_100000211006 [0,1,0,0,0,0|2,0,1]=4 3823 B16R1.929 COCC(=O)CCNC(=O)c1ccccc1 1458a_100000210968_200011215302 [0,1,0,0,0,0|2,0,1]=4 3824 B16R1.929 COCC(=O)CCOC(=O)c1ccccc1 1458a_100000210968_100000184176 [0,1,0,0,0,0|1,0,1]=3 3825 B16R1.929 COCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000765312 [0,1,0,0,0,0|3,0,0]=4 3826 B16R1.929 COCC(C)SCCC(=O)c1ccccc1 62a_100000765312_100000750707 [0,1,0,0,0,0|3,0,0]=4 3827 B16R1.929 COCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000765312 [0,1,0,0,0,0|2,0,0]=3 3828 B16R1.929 COCC(C)SCOC(=O)c1ccccc1 62a_100000765312_100000073877 [0,1,0,0,0,0|2,0,0]=3 3829 B16R1.929 COCC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011215053 [0,1,0,0,0,0|3,0,0]=4 3830 B16R1.929 COCC(O)CSCC(=O)c1ccccc1 62a_100011215053_100000211460 [0,1,0,0,0,0|3,0,0]=4 3831 B16R1.929 COC[C@@H](C)NCCC(=O)c1ccccc1 2230a_100000764878_100000750707 [0,1,0,0,0,0|3,0,0]=4 3832 B16R1.929 CSCC(=O)CCCC(=O)c1ccccc1 1458a_100000184570_100000211006 [0,1,0,0,0,0|2,0,1]=4 3833 B16R1.929 CSCC(=O)CCNC(=O)c1ccccc1 1458a_100000184570_200011215302 [0,1,0,0,0,0|2,0,1]=4 3834 B16R1.929 CSCC(=O)CCOC(=O)c1ccccc1 1458a_100000184570_100000184176 [0,1,0,0,0,0|1,0,1]=3 3835 B16R1.929 CSCC(O)CNNC(=O)c1ccccc1 22a_200000122717_100000185807 [0,1,0,0,0,0|3,0,0]=4 3836 B16R1.929 C[C@H](CCO)NCCC(=O)c1ccccc1 2230a_100000706166_100000750707 [0,1,0,0,0,0|3,0,0]=4 3837 B16R1.929 N#CCC(=O)CCOC(=O)c1ccccc1 1458a_100051588842_100000184176 [0,1,0,0,0,0|1,0,2]=4 3838 B16R1.929 O=C(CCF)CCNC(=O)c1ccccc1 1458a_100000182757_100011217306 [0,1,0,0,0,0|2,0,1]=4 3839 B16R1.929 O=C(CCO)CCCC(=O)c1ccccc1 1458a_100011216618_100000211006 [0,1,0,0,0,0|2,0,1]=4 3840 B16R1.929 O=C(CCO)CCNC(=O)c1ccccc1 1458a_100000182757_100000211926 [0,1,0,0,0,0|2,0,1]=4 3841 B16R1.929 O=C(CCO)CCNC(=O)c1ccccc1 1458a_100011216618_200011215302 [0,1,0,0,0,0|2,0,1]=4 3842 B16R1.929 O=C(CCO)CCOC(=O)c1ccccc1 1458a_100011216618_100000184176 [0,1,0,0,0,0|1,0,1]=3 3843 B16R1.1132 C#CC(=O)CCCOC(=O)c1ccccc1 1458a_100000211873_200009892979 [0,1,0,0,0,0|0,0,3]=4 3844 B16R1.1132 C#CC(C)NCCOC(=O)c1ccccc1 34a_100000707721_100009812718 [0,1,0,0,0,0|1,0,2]=4 3845 B16R1.1132 C#CC(C)SCCOC(=O)c1ccccc1 62a_200000035995_100009812718 [0,1,0,0,0,0|1,0,2]=4 3846 B16R1.1132 C#C[C@@H](C)OCCOC(=O)c1ccccc1 34a_100009815206_100009812718 [0,1,0,0,0,0|1,0,2]=4 3847 B16R1.1132 C#C[C@@H](C)OCCOC(=O)c1ccccc1 7a_100009815206_100000184176 [0,1,0,0,0,0|1,0,2]=4 3848 B16R1.1132 C=CC(=O)CCCOC(=O)c1ccccc1 1458a_100000185746_200009892979 [0,1,0,0,0,0|0,0,3]=4 3849 B16R1.1132 C=CC(C)COCOC(=O)c1ccccc1 7a_100011215527_100000073877 [0,1,0,0,0,0|1,0,2]=4 3850 B16R1.1132 C=CC(C)OCCOC(=O)c1ccccc1 34a_100000695699_100009812718 [0,1,0,0,0,0|1,0,2]=4 3851 B16R1.1132 C=CC(C)SCCOC(=O)c1ccccc1 62a_100011215867_100009812718 [0,1,0,0,0,0|1,0,2]=4 3852 B16R1.1132 C=CC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100000730141 [0,1,0,0,0,0|1,0,2]=4 3853 B16R1.1132 C=CC(O)CSCOC(=O)c1ccccc1 62a_100000730141_100000073877 [0,1,0,0,0,0|1,0,2]=4 3854 B16R1.1132 CC(C#N)OCCOC(=O)c1ccccc1 34a_100011218135_100009812718 [0,1,0,0,0,0|2,0,1]=4 3855 B16R1.1132 CC(C#N)OCCOC(=O)c1ccccc1 7a_100000025465_100000703298 [0,1,0,0,0,0|2,0,1]=4 3856 B16R1.1132 CC(C#N)SCCOC(=O)c1ccccc1 62a_100000703298_100009812718 [0,1,0,0,0,0|2,0,1]=4 3857 B16R1.1132 CC(C#N)SCCOC(=O)c1ccccc1 62a_100009812718_100000703298 [0,1,0,0,0,0|2,0,1]=4 3858 B16R1.1132 CC(CF)OCCCC(=O)c1ccccc1 7a_100016041109_100000211006 [0,1,0,0,0,0|3,0,0]=4 3859 B16R1.1132 CC(CF)OCCNC(=O)c1ccccc1 7a_100016041109_200011215302 [0,1,0,0,0,0|3,0,0]=4 3860 B16R1.1132 CC(CF)OCCOC(=O)c1ccccc1 34a_100016041109_100009812718 [0,1,0,0,0,0|2,0,0]=3 3861 B16R1.1132 CC(CF)OCCOC(=O)c1ccccc1 7a_100016041109_100000184176 [0,1,0,0,0,0|2,0,0]=3 3862 B16R1.1132 CC(CN)OCCOC(=O)c1ccccc1 34a_100000210904_100009812718 [0,1,0,0,0,0|2,0,0]=3 3863 B16R1.1132 CC(CO)NCCNC(=O)c1ccccc1 2230a_100000736134_100012180447 [0,1,0,0,0,0|3,0,0]=4 3864 B16R1.1132 CC(CO)OCCNC(=O)c1ccccc1 34a_200000158897_100012180447 [0,1,0,0,0,0|3,0,0]=4 3865 B16R1.1132 CC(CO)OCCNC(=O)c1ccccc1 7a_200000158897_100012180447 [0,1,0,0,0,0|3,0,0]=4 3866 B16R1.1132 CC(CO)OCCOC(=O)c1ccccc1 7a_100000025465_100012180447 [0,1,0,0,0,0|2,0,0]=3 3867 B16R1.1132 CC(CO)SCCCC(=O)c1ccccc1 62a_100012180447_100000211006 [0,1,0,0,0,0|3,0,0]=4 3868 B16R1.1132 CC(CO)SCCNC(=O)c1ccccc1 62a_100012180447_200011215302 [0,1,0,0,0,0|3,0,0]=4 3869 B16R1.1132 CC(CO)SCCOC(=O)c1ccccc1 62a_100012180447_100009812718 [0,1,0,0,0,0|2,0,0]=3 3870 B16R1.1132 CC(OCCC[C@@H](C)CN)c1ccccc1 34a_100160569302_100000211855 [0,1,0,0,0,0|2,0,1]=4 3871 B16R1.1132 CCC(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_100000210202 [0,1,0,0,0,0|1,0,1]=3 3872 B16R1.1132 CCC(=O)CCCNC(=O)c1cccnc1 1458a_100000690978_100000210202 [0,1,0,0,0,0|2,0,1]=4 3873 B16R1.1132 CCC(=O)CCCOC(=O)c1ccccc1 1458a_100000210414_200009892979 [0,1,0,0,0,0|0,0,1]=2 3874 B16R1.1132 CCC(=O)CSCCC(=O)c1ccccc1 62a_100000747405_100000750707 [0,1,0,0,0,0|2,0,1]=4 3875 B16R1.1132 CCC(=O)CSCCC(=O)c1ccccc1 62a_100000750707_100000747405 [0,1,0,0,0,0|2,0,1]=4 3876 B16R1.1132 CCC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747405 [0,1,0,0,0,0|1,0,1]=3 3877 B16R1.1132 CCC(=O)CSCOC(=O)c1ccccc1 62a_100000747405_100000073877 [0,1,0,0,0,0|1,0,1]=3 3878 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 11a_100000736134_100000210414 [0,1,0,0,0,0|2,0,1]=4 3879 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 11a_100132302217_100000185807 [0,1,0,0,0,0|2,0,1]=4 3880 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 1626a_100000736134_100000210414 [0,1,0,0,0,0|2,0,1]=4 3881 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 1626a_100132302217_100000185807 [0,1,0,0,0,0|2,0,1]=4 3882 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 240690a_100000736134_100000210414 [0,1,0,0,0,0|2,0,1]=4 3883 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 240690a_100132302217_100000185807 [0,1,0,0,0,0|2,0,1]=4 3884 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 527a_100000736134_100000210414 [0,1,0,0,0,0|2,0,1]=4 3885 B16R1.1132 CCC(=O)NCCNC(=O)c1ccccc1 527a_100132302217_100000185807 [0,1,0,0,0,0|2,0,1]=4 3886 B16R1.1132 CCC(C)CCCOC(C)c1ccccc1 7a_100011216074_100000230085 [0,1,0,0,0,0|1,0,1]=3 3887 B16R1.1132 CCC(C)CCOCC(=O)c1ccccc1 7a_100011215188_100000211460 [0,1,0,0,0,0|2,0,0]=3 3888 B16R1.1132 CCC(C)CCOCC(=O)c1ccccn1 7a_100011215188_100000027445 [0,1,0,0,0,0|3,0,0]=4 3889 B16R1.1132 CCC(C)CCOCC(=O)c1ccncc1 7a_100011215188_100015248511 [0,1,0,0,0,0|3,0,0]=4 3890 B16R1.1132 CCC(C)CNCCC(=O)c1ccccc1 2230a_100020588543_100000750707 [0,1,0,0,0,0|2,0,0]=3 3891 B16R1.1132 CCC(C)CNCCS(=O)c1ccccc1 2230a_100020588543_100000740319 [0,1,0,0,0,0|3,0,0]=4 3892 B16R1.1132 CCC(C)CSCCC(=O)c1ccccc1 62a_100000748023_100000750707 [0,1,0,0,0,0|2,0,0]=3 3893 B16R1.1132 CCC(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000748023 [0,1,0,0,0,0|2,0,0]=3 3894 B16R1.1132 CCC(C)CSCCS(=O)c1ccccc1 62a_100000748023_100000740319 [0,1,0,0,0,0|3,0,0]=4 3895 B16R1.1132 CCC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000748023 [0,1,0,0,0,0|1,0,0]=2 3896 B16R1.1132 CCC(C)CSCOC(=O)c1ccccc1 62a_100000748023_100000073877 [0,1,0,0,0,0|1,0,0]=2 3897 B16R1.1132 CCC(C)NCCCC(=O)c1ccccc1 2230a_100000209981_100000211006 [0,1,0,0,0,0|2,0,0]=3 3898 B16R1.1132 CCC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000758301 [0,1,0,0,0,0|2,0,0]=3 3899 B16R1.1132 CCC(C)NCCNC(=O)c1ccncc1 2230a_200011198449_100000758301 [0,1,0,0,0,0|3,0,0]=4 3900 B16R1.1132 CCC(C)OCCCC(=O)c1ccccc1 7a_100000210228_100000211006 [0,1,0,0,0,0|2,0,0]=3 3901 B16R1.1132 CCC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100011215416 [0,1,0,0,0,0|2,0,0]=3 3902 B16R1.1132 CCC(C)OCCNC(=O)c1ccccc1 7a_100000210228_200011215302 [0,1,0,0,0,0|2,0,0]=3 3903 B16R1.1132 CCC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000758301 [0,1,0,0,0,0|2,0,0]=3 3904 B16R1.1132 CCC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000758301 [0,1,0,0,0,0|1,0,0]=2 3905 B16R1.1132 CCC(C)OCCOC(=O)c1ccccc1 7a_100000210228_100000184176 [0,1,0,0,0,0|1,0,0]=2 3906 B16R1.1132 CCC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000758301 [0,1,0,0,0,0|2,0,0]=3 3907 B16R1.1132 CCC(C)SCCCC(=O)c1ccccc1 62a_100000758301_100000211006 [0,1,0,0,0,0|2,0,0]=3 3908 B16R1.1132 CCC(C)SCCNC(=O)c1ccccc1 62a_100000758301_200011215302 [0,1,0,0,0,0|2,0,0]=3 3909 B16R1.1132 CCC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000758301 [0,1,0,0,0,0|2,0,0]=3 3910 B16R1.1132 CCC(C)SCCOC(=O)c1ccccc1 62a_100000758301_100009812718 [0,1,0,0,0,0|1,0,0]=2 3911 B16R1.1132 CCC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000758301 [0,1,0,0,0,0|1,0,0]=2 3912 B16R1.1132 CCC(O)CNCCC(=O)c1ccccc1 2230a_100011218483_100000750707 [0,1,0,0,0,0|2,0,0]=3 3913 B16R1.1132 CCC(O)CNCCS(=O)c1ccccc1 2230a_100011218483_100000740319 [0,1,0,0,0,0|3,0,0]=4 3914 B16R1.1132 CCC(O)CSCCC(=O)c1ccccc1 62a_100000750707_100011218378 [0,1,0,0,0,0|2,0,0]=3 3915 B16R1.1132 CCC(O)CSCCC(=O)c1ccccc1 62a_100011218378_100000750707 [0,1,0,0,0,0|2,0,0]=3 3916 B16R1.1132 CCC(O)CSCCS(=O)c1ccccc1 62a_100011218378_100000740319 [0,1,0,0,0,0|3,0,0]=4 3917 B16R1.1132 CCC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011218378 [0,1,0,0,0,0|1,0,0]=2 3918 B16R1.1132 CCC(O)CSCOC(=O)c1ccccc1 62a_100011218378_100000073877 [0,1,0,0,0,0|1,0,0]=2 3919 B16R1.1132 CCN(C)CCCOC(=O)c1ccccc1 269982a_100000225621_200009892979 [0,1,0,0,0,0|1,0,0]=2 3920 B16R1.1132 CCN(C)CCCO[C@H](C)c1ccccc1 7a_100000761318_100015186262 [0,1,0,0,0,0|2,0,1]=4 3921 B16R1.1132 CC[C@H](C)COCCC(=O)c1ccccc1 7a_100009816381_100000750707 [0,1,0,0,0,0|2,0,0]=3 3922 B16R1.1132 CC[C@H](C)COCCS(=O)c1ccccc1 7a_100009816381_100000740319 [0,1,0,0,0,0|3,0,0]=4 3923 B16R1.1132 CC[C@H](C)COCOC(=O)c1ccccc1 7a_100009816381_100000073877 [0,1,0,0,0,0|1,0,0]=2 3924 B16R1.1132 CC[C@H](C)CSCCC(=O)c1ccccc1 62a_100000750707_100009816398 [0,1,0,0,0,0|2,0,0]=3 3925 B16R1.1132 CC[C@H](C)CSCCC(=O)c1ccccc1 62a_100009816398_100000750707 [0,1,0,0,0,0|2,0,0]=3 3926 B16R1.1132 CC[C@H](C)CSCCS(=O)c1ccccc1 62a_100009816398_100000740319 [0,1,0,0,0,0|3,0,0]=4 3927 B16R1.1132 CC[C@H](C)CSCOC(=O)c1ccccc1 62a_100000073877_100009816398 [0,1,0,0,0,0|1,0,0]=2 3928 B16R1.1132 CC[C@H](C)CSCOC(=O)c1ccccc1 62a_100009816398_100000073877 [0,1,0,0,0,0|1,0,0]=2 3929 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 11a_100000740002_100000185807 [0,1,0,0,0,0|2,0,1]=4 3930 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 11a_106832991635_100000194758 [0,1,0,0,0,0|2,0,1]=4 3931 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 1626a_100102657272_100000194758 [0,1,0,0,0,0|2,0,1]=4 3932 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 240690a_100000740002_100000185807 [0,1,0,0,0,0|2,0,1]=4 3933 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 240690a_100102657272_100000194758 [0,1,0,0,0,0|2,0,1]=4 3934 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 527a_100000740002_100000185807 [0,1,0,0,0,0|2,0,1]=4 3935 B16R1.1132 CNC(=O)CCCNC(=O)c1ccccc1 527a_100102657272_100000194758 [0,1,0,0,0,0|2,0,1]=4 3936 B16R1.1132 CNC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000183359 [0,1,0,0,0,0|2,0,1]=4 3937 B16R1.1132 CNC(=O)CSCOC(=O)c1ccccc1 62a_100000183359_100000073877 [0,1,0,0,0,0|2,0,1]=4 3938 B16R1.1132 COC(=O)CCCCC(=O)c1ccccc1 1458a_100000185807_100000204269 [0,1,0,0,0,0|2,0,1]=4 3939 B16R1.1132 COC(=O)CCCNC(=O)c1ccccc1 188690a_100000184769_100000185807 [0,1,0,0,0,0|2,0,1]=4 3940 B16R1.1132 COC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747449 [0,1,0,0,0,0|2,0,1]=4 3941 B16R1.1132 COC(=O)CSCOC(=O)c1ccccc1 62a_100000747449_100000073877 [0,1,0,0,0,0|2,0,1]=4 3942 B16R1.1132 COC(C)CCOCC(=O)c1ccccc1 7a_100000764861_100000211460 [0,1,0,0,0,0|3,0,0]=4 3943 B16R1.1132 COC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100009879195 [0,1,0,0,0,0|3,0,0]=4 3944 B16R1.1132 COC(C)SCCCC(=O)c1ccccc1 62a_100009879195_100000211006 [0,1,0,0,0,0|3,0,0]=4 3945 B16R1.1132 COC(C)SCCNC(=O)c1ccccc1 62a_100009879195_200011215302 [0,1,0,0,0,0|3,0,0]=4 3946 B16R1.1132 COC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100009879195 [0,1,0,0,0,0|3,0,0]=4 3947 B16R1.1132 COC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100009879195 [0,1,0,0,0,0|2,0,0]=3 3948 B16R1.1132 COC(C)SCCOC(=O)c1ccccc1 62a_100009879195_100009812718 [0,1,0,0,0,0|2,0,0]=3 3949 B16R1.1132 CO[C@H](C)CNCCC(=O)c1ccccc1 2230a_100020591295_100000750707 [0,1,0,0,0,0|3,0,0]=4 3950 B16R1.1132 C[C@@H](CO)CSCCC(=O)c1ccccc1 62a_100000059175_100000750707 [0,1,0,0,0,0|3,0,0]=4 3951 B16R1.1132 C[C@@H](CO)CSCCC(=O)c1ccccc1 62a_100000750707_100000059175 [0,1,0,0,0,0|3,0,0]=4 3952 B16R1.1132 C[C@@H](CO)CSCOC(=O)c1ccccc1 62a_100000059175_100000073877 [0,1,0,0,0,0|2,0,0]=3 3953 B16R1.1132 C[C@@H](CO)CSCOC(=O)c1ccccc1 62a_100000073877_100000059175 [0,1,0,0,0,0|2,0,0]=3 3954 B16R1.1132 C[C@H](CO)NCCCC(=O)c1ccccc1 2230a_100000737577_100000211006 [0,1,0,0,0,0|3,0,0]=4 3955 B16R1.1132 C[C@H](CO)SCCCC(=O)c1ccccc1 62a_100000211006_100016084084 [0,1,0,0,0,0|3,0,0]=4 3956 B16R1.1132 C[C@H](CO)SCCCC(=O)c1ccccc1 62a_100016084084_100000211006 [0,1,0,0,0,0|3,0,0]=4 3957 B16R1.1132 C[C@H](CO)SCCNC(=O)c1ccccc1 62a_100016084084_200011215302 [0,1,0,0,0,0|3,0,0]=4 3958 B16R1.1132 C[C@H](CO)SCCNC(=O)c1ccccc1 62a_200011215302_100016084084 [0,1,0,0,0,0|3,0,0]=4 3959 B16R1.1132 C[C@H](CO)SCCOC(=O)c1ccccc1 62a_100009812718_100016084084 [0,1,0,0,0,0|2,0,0]=3 3960 B16R1.1132 C[C@H](CO)SCCOC(=O)c1ccccc1 62a_100016084084_100009812718 [0,1,0,0,0,0|2,0,0]=3 3961 B16R1.1132 N#CC(F)SCCOC(=O)c1ccccc1 62a_100009812718_200000117898 [0,1,0,0,0,0|2,0,1]=4 3962 B16R1.1132 N#CC(F)SCCOC(=O)c1ccccc1 62a_200000117898_100009812718 [0,1,0,0,0,0|2,0,1]=4 3963 B16R1.1132 O=C(CCNC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000750707 [0,1,0,0,0,0|3,0,0]=4 3964 B16R1.1132 O=C(CCSCC(O)CO)c1ccccc1 62a_100000750707_100011219619 [0,1,0,0,0,0|3,0,0]=4 3965 B16R1.1132 O=C(CCSCC(O)CO)c1ccccc1 62a_100011219619_100000750707 [0,1,0,0,0,0|3,0,0]=4 3966 B16R1.1132 O=C(CCSC[C@@H](O)CF)c1ccccc1 62a_100000750707_100015614560 [0,1,0,0,0,0|3,0,0]=4 3967 B16R1.1132 O=C(CCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000750707 [0,1,0,0,0,0|3,0,0]=4 3968 B16R1.1132 O=C(CCSC[C@@H](O)CO)c1ccccc1 62a_100000750707_100009815848 [0,1,0,0,0,0|3,0,0]=4 3969 B16R1.1132 O=C(CCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000750707 [0,1,0,0,0,0|3,0,0]=4 3970 B16R1.1132 O=C(CF)CCCNC(=O)c1ccccc1 1458a_100000194758_100015361967 [0,1,0,0,0,0|2,0,1]=4 3971 B16R1.1132 O=C(CO)CCCOC(=O)c1ccccc1 1458a_100000210174_200009892979 [0,1,0,0,0,0|1,0,1]=3 3972 B16R1.1132 O=C(OCSCC(O)CO)c1ccccc1 62a_100000073877_100011219619 [0,1,0,0,0,0|2,0,0]=3 3973 B16R1.1132 O=C(OCSCC(O)CO)c1ccccc1 62a_100011219619_100000073877 [0,1,0,0,0,0|2,0,0]=3 3974 B16R1.1132 O=C(OCSC[C@@H](O)CF)c1ccccc1 62a_100000073877_100015614560 [0,1,0,0,0,0|2,0,0]=3 3975 B16R1.1132 O=C(OCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000073877 [0,1,0,0,0,0|2,0,0]=3 3976 B16R1.1132 O=C(OCSC[C@@H](O)CO)c1ccccc1 62a_100000073877_100009815848 [0,1,0,0,0,0|2,0,0]=3 3977 B16R1.1132 O=C(OCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000073877 [0,1,0,0,0,0|2,0,0]=3 3978 B16R1.1201 CC(C)(OCCCCCF)c1ccccc1 7a_100000694644_100000729378 [0,1,0,0,0,0|2,0,1]=4 3979 B16R1.1201 CC(C)(OCCCCCO)c1ccccc1 7a_100000694644_100000746330 [0,1,0,0,0,0|2,0,1]=4 3980 B16R1.1201 CCCCCCNC(C)(C)c1ccccc1 2230a_100000210581_100000034625 [0,1,0,0,0,0|2,0,1]=4 3981 B16R1.1201 CCCCCCNC(C)(C)c1ccccc1 2230a_100011218174_100000210314 [0,1,0,0,0,0|2,0,1]=4 3982 B16R1.1201 CCCCCCNS(=O)(=O)c1ccccc1 270084a_100000210581_100000210345 [0,1,0,0,0,0|2,0,0]=3 3983 B16R1.1201 CCCCCCNS(=O)(=O)c1ccccc1 274078a_100000210581_100000210345 [0,1,0,0,0,0|2,0,0]=3 3984 B16R1.1201 CCCCCCNS(=O)(=O)c1ccccc1 40a_100000210581_100000032697 [0,1,0,0,0,0|2,0,0]=3 3985 B16R1.1201 CCCCCCNS(=O)(=O)c1ccccn1 270084a_100000210581_100016994956 [0,1,0,0,0,0|3,0,0]=4 3986 B16R1.1201 CCCCCCNS(=O)(=O)c1ccccn1 274078a_100000210581_100016994956 [0,1,0,0,0,0|3,0,0]=4 3987 B16R1.1201 CCCCCCNS(=O)(=O)c1ccccn1 40a_100000210581_100000070048 [0,1,0,0,0,0|3,0,0]=4 3988 B16R1.1201 CCCCCCNS(=O)(=O)c1cccnc1 270084a_100000210581_100000736704 [0,1,0,0,0,0|3,0,0]=4 3989 B16R1.1201 CCCCCCNS(=O)(=O)c1cccnc1 274078a_100000210581_100000736704 [0,1,0,0,0,0|3,0,0]=4 3990 B16R1.1201 CCCCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210314 [0,1,0,0,0,0|1,0,1]=3 3991 B16R1.1201 CCCCCCOC(C)(C)c1ccccn1 7a_100000041474_100000210314 [0,1,0,0,0,0|2,0,1]=4 3992 B16R1.1201 CCCCCCOC(F)(F)c1ccccc1 7a_100000210259_100000036403 [0,1,0,0,0,0|1,0,1]=3 3993 B16R1.1201 CCCCCCSC(C)(C)c1ccccc1 62a_100000034625_100000210757 [0,1,0,0,0,0|1,1,1]=4 3994 B16R1.1201 CCCCCCSC(C)(C)c1ccccc1 62a_100000210314_100000034625 [0,1,0,0,0,0|1,1,1]=4 3995 B16R1.1201 CCCCCCSC(F)(F)c1ccccc1 62a_100000210314_100000036403 [0,1,0,0,0,0|1,1,1]=4 3996 B16R1.1201 CCCCCNNS(=O)(=O)c1ccccc1 40a_100000694160_100000032697 [0,1,0,0,0,0|3,0,0]=4 3997 B16R1.1201 CCCCCOCS(=O)(=O)c1ccccc1 34a_100000210253_200009813291 [0,1,0,0,0,0|3,0,0]=4 3998 B16R1.1201 CCCCCSCS(=O)(=O)c1ccccc1 62a_100000210326_100000240042 [0,1,0,0,0,0|3,0,0]=4 3999 B16R1.1201 CCCCCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210326 [0,1,0,0,0,0|3,0,0]=4 4000 B16R1.1201 CCCCNCCS(=O)(=O)c1ccccc1 2230a_100000102301_100000229977 [0,1,0,0,0,0|3,0,0]=4 4001 B16R1.1201 CCCCNCCS(=O)(=O)c1ccccc1 2230a_100000168333_100000210211 [0,1,0,0,0,0|3,0,0]=4 4002 B16R1.1201 CCCCNCCS(=O)(=O)c1ccccc1 7a_106832991798_100000229977 [0,1,0,0,0,0|3,0,0]=4 4003 B16R1.1201 CCCCOCCS(=O)(=O)c1ccccc1 34a_200011215558_100000210210 [0,1,0,0,0,0|3,0,0]=4 4004 B16R1.1201 CCCCOCCS(=O)(=O)c1ccccc1 7a_100000210227_100000229977 [0,1,0,0,0,0|3,0,0]=4 4005 B16R1.1201 CCCCOCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210211 [0,1,0,0,0,0|3,0,0]=4 4006 B16R1.1201 CCCCSCCS(=O)(=O)c1ccccc1 62a_100000210211_100000229977 [0,1,0,0,0,0|3,0,0]=4 4007 B16R1.1201 CCCCSCCS(=O)(=O)c1ccccc1 62a_100000229977_100000210210 [0,1,0,0,0,0|3,0,0]=4 4008 B16R1.1201 CCCNCCNS(=O)(=O)c1ccccc1 2230a_100000736423_100000210303 [0,1,0,0,0,0|3,0,0]=4 4009 B16R1.1201 CCCNCCNS(=O)(=O)c1ccccc1 34a_100000736423_100000210303 [0,1,0,0,0,0|3,0,0]=4 4010 B16R1.1201 CCCOCCNS(=O)(=O)c1ccccc1 270084a_100161115042_100000210345 [0,1,0,0,0,0|3,0,0]=4 4011 B16R1.1201 CCCOCCNS(=O)(=O)c1ccccc1 274078a_100161115042_100000210345 [0,1,0,0,0,0|3,0,0]=4 4012 B16R1.1201 CCCOCCNS(=O)(=O)c1ccccc1 40a_100161115042_100000032697 [0,1,0,0,0,0|3,0,0]=4 4013 B16R1.1201 CCCOCCOC(C)(C)c1ccccc1 7a_100000694644_100011215938 [0,1,0,0,0,0|2,0,1]=4 4014 B16R1.1201 CCCOCCOC(F)(F)c1ccccc1 7a_100000752267_100000036403 [0,1,0,0,0,0|2,0,1]=4 4015 B16R1.1201 CCCOCCOS(=O)(=O)c1ccccc1 34a_100000210258_200000070464 [0,1,0,0,0,0|2,0,0]=3 4016 B16R1.1201 CCCSCCNS(=O)(=O)c1ccccc1 270084a_100020603323_100000210345 [0,1,0,0,0,0|3,0,0]=4 4017 B16R1.1201 CCCSCCNS(=O)(=O)c1ccccc1 274078a_100020603323_100000210345 [0,1,0,0,0,0|3,0,0]=4 4018 B16R1.1201 CCCSCCNS(=O)(=O)c1ccccc1 40a_100020603323_100000032697 [0,1,0,0,0,0|3,0,0]=4 4019 B16R1.1201 CCCSCCOC(F)(F)c1ccccc1 7a_200000230433_100000036403 [0,1,0,0,0,0|2,0,1]=4 4020 B16R1.1201 CCCSCCOS(=O)(=O)c1ccccc1 62a_100000210303_200000070464 [0,1,0,0,0,0|2,0,0]=3 4021 B16R1.1201 CCOCCCNS(=O)(=O)c1ccccc1 270084a_100000210961_100000210345 [0,1,0,0,0,0|3,0,0]=4 4022 B16R1.1201 CCOCCCNS(=O)(=O)c1ccccc1 274078a_100000210961_100000210345 [0,1,0,0,0,0|3,0,0]=4 4023 B16R1.1201 CCOCCCNS(=O)(=O)c1ccccc1 40a_100000210961_100000032697 [0,1,0,0,0,0|3,0,0]=4 4024 B16R1.1201 CCOCCCOC(C)(C)c1ccccc1 7a_100000694644_100012232248 [0,1,0,0,0,0|2,0,1]=4 4025 B16R1.1201 CCOCCCOC(F)(F)c1ccccc1 7a_100000757476_100000036403 [0,1,0,0,0,0|2,0,1]=4 4026 B16R1.1201 CCSCCCOC(F)(F)c1ccccc1 7a_100011216438_100000036403 [0,1,0,0,0,0|2,0,1]=4 4027 B16R1.1201 COCCCCOC(C)(C)c1ccccc1 7a_100000694644_100000730899 [0,1,0,0,0,0|2,0,1]=4 4028 B16R1.1201 COCSCCOS(=O)(=O)c1ccccc1 62a_100000766300_200000070464 [0,1,0,0,0,0|3,0,0]=4 4029 B16R1.1201 CSCCCCOC(F)(F)c1ccccc1 7a_100011217163_100000036403 [0,1,0,0,0,0|2,0,1]=4 4030 B16R1.1201 CSCSCCOS(=O)(=O)c1ccccc1 62a_100011218213_200000070464 [0,1,0,0,0,0|3,0,0]=4 4031 B16R1.1201 FC(F)(OCCCCCBr)c1ccccc1 7a_100000746331_100000036403 [0,1,0,0,0,0|2,0,1]=4 4032 B16R1.1201 FC(F)(OCCCCCCl)c1ccccc1 7a_100000746330_100000036403 [0,1,0,0,0,0|2,0,1]=4 4033 B16R1.1201 FC(F)(OCCCCCI)c1ccccc1 7a_200012148887_100000036403 [0,1,0,0,0,0|2,0,1]=4 4034 B16R1.1201 NCCOCCOS(=O)(=O)c1ccccc1 34a_100000210304_200000070464 [0,1,0,0,0,0|3,0,0]=4 4035 B16R1.1201 O=S(=O)(NCCCCCO)c1ccccc1 270084a_100000762737_100000210345 [0,1,0,0,0,0|3,0,0]=4 4036 B16R1.1201 O=S(=O)(NCCCCCO)c1ccccc1 274078a_100000762737_100000210345 [0,1,0,0,0,0|3,0,0]=4 4037 B16R1.1201 O=S(=O)(NCCCCCO)c1ccccc1 40a_100000762737_100000032697 [0,1,0,0,0,0|3,0,0]=4 4038 B16R1.1201 O=S(=O)(OCCNCCF)c1ccccc1 34a_100000724931_200000070464 [0,1,0,0,0,0|3,0,0]=4 4039 B16R1.1201 O=S(=O)(OCCNCCO)c1ccccc1 34a_100016990907_200000070464 [0,1,0,0,0,0|3,0,0]=4 4040 B16R1.1201 O=S(=O)(OCCOCCBr)c1ccccc1 34a_100000211926_200000070464 [0,1,0,0,0,0|3,0,0]=4 4041 B16R1.1201 O=S(=O)(OCCSCCF)c1ccccc1 62a_100011217306_200000070464 [0,1,0,0,0,0|3,0,0]=4 4042 B16R1.1201 O=S(=O)(OCCSCCO)c1ccccc1 62a_100000211926_200000070464 [0,1,0,0,0,0|3,0,0]=4 4043 B16R1.7596 C#CCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100012094781 [0,1,0,0,0,0|1,0,2]=4 4044 B16R1.7596 C#CCCCCCC(=O)c1ccccc1C 1458a_100000212026_100012094781 [0,1,0,0,0,0|1,0,2]=4 4045 B16R1.7596 C#CCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100012094781 [0,1,0,0,0,0|1,0,2]=4 4046 B16R1.7596 C#CCCCCCC(=O)c1ccccc1F 1458a_100000188656_100012094781 [0,1,0,0,0,0|1,0,2]=4 4047 B16R1.7596 C#CCCCCCC(=O)c1ccccc1I 1458a_100000187884_100012094781 [0,1,0,0,0,0|1,0,2]=4 4048 B16R1.7596 C#CCCCCCC(=O)c1ccccc1O 1458a_100015234032_100012094781 [0,1,0,0,0,0|1,0,2]=4 4049 B16R1.7596 C#CCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100012094781 [0,1,0,0,0,0|1,0,2]=4 4050 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Br 11a_100000706060_100000188424 [0,1,0,0,0,0|1,0,2]=4 4051 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Br 1626a_100000706060_100000188424 [0,1,0,0,0,0|1,0,2]=4 4052 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Br 240690a_100000706060_100000188424 [0,1,0,0,0,0|1,0,2]=4 4053 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Br 527a_100000706060_100000188424 [0,1,0,0,0,0|1,0,2]=4 4054 B16R1.7596 C#CCCCCNC(=O)c1ccccc1C 11a_100000706060_100000212026 [0,1,0,0,0,0|1,0,2]=4 4055 B16R1.7596 C#CCCCCNC(=O)c1ccccc1C 1626a_100000706060_100000212026 [0,1,0,0,0,0|1,0,2]=4 4056 B16R1.7596 C#CCCCCNC(=O)c1ccccc1C 240690a_100000706060_100000212026 [0,1,0,0,0,0|1,0,2]=4 4057 B16R1.7596 C#CCCCCNC(=O)c1ccccc1C 527a_100000706060_100000212026 [0,1,0,0,0,0|1,0,2]=4 4058 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Cl 11a_100000706060_100000185844 [0,1,0,0,0,0|1,0,2]=4 4059 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Cl 1626a_100000706060_100000185844 [0,1,0,0,0,0|1,0,2]=4 4060 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Cl 240690a_100000706060_100000185844 [0,1,0,0,0,0|1,0,2]=4 4061 B16R1.7596 C#CCCCCNC(=O)c1ccccc1Cl 527a_100000706060_100000185844 [0,1,0,0,0,0|1,0,2]=4 4062 B16R1.7596 C#CCCCCNC(=O)c1ccccc1F 11a_100000706060_100000188656 [0,1,0,0,0,0|1,0,2]=4 4063 B16R1.7596 C#CCCCCNC(=O)c1ccccc1F 1626a_100000706060_100000188656 [0,1,0,0,0,0|1,0,2]=4 4064 B16R1.7596 C#CCCCCNC(=O)c1ccccc1F 240690a_100000706060_100000188656 [0,1,0,0,0,0|1,0,2]=4 4065 B16R1.7596 C#CCCCCNC(=O)c1ccccc1F 527a_100000706060_100000188656 [0,1,0,0,0,0|1,0,2]=4 4066 B16R1.7596 C#CCCCCNC(=O)c1ccccc1I 11a_100000706060_100000187884 [0,1,0,0,0,0|1,0,2]=4 4067 B16R1.7596 C#CCCCCNC(=O)c1ccccc1I 1626a_100000706060_100000187884 [0,1,0,0,0,0|1,0,2]=4 4068 B16R1.7596 C#CCCCCNC(=O)c1ccccc1I 240690a_100000706060_100000187884 [0,1,0,0,0,0|1,0,2]=4 4069 B16R1.7596 C#CCCCCNC(=O)c1ccccc1I 527a_100000706060_100000187884 [0,1,0,0,0,0|1,0,2]=4 4070 B16R1.7596 C#CCCCCNC(=O)c1ccccc1O 240690a_100000706060_100015234032 [0,1,0,0,0,0|1,0,2]=4 4071 B16R1.7596 C#CCCCCNC(=O)c1ccccc1[O-] 1626a_100000706060_100009911694 [0,1,0,0,0,0|1,0,2]=4 4072 B16R1.7596 C#CCCCCNC(=O)c1ccccc1[O-] 240690a_100000706060_100009911694 [0,1,0,0,0,0|1,0,2]=4 4073 B16R1.7596 C#CCCCCNC(=O)c1ccccc1[O-] 527a_100000706060_100009911694 [0,1,0,0,0,0|1,0,2]=4 4074 B16R1.7596 C=CCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000700193 [0,1,0,0,0,0|1,0,2]=4 4075 B16R1.7596 C=CCCCCCC(=O)c1ccccc1C 1458a_100000212026_100000700193 [0,1,0,0,0,0|1,0,2]=4 4076 B16R1.7596 C=CCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000700193 [0,1,0,0,0,0|1,0,2]=4 4077 B16R1.7596 C=CCCCCCC(=O)c1ccccc1F 1458a_100000188656_100000700193 [0,1,0,0,0,0|1,0,2]=4 4078 B16R1.7596 C=CCCCCCC(=O)c1ccccc1I 1458a_100000187884_100000700193 [0,1,0,0,0,0|1,0,2]=4 4079 B16R1.7596 C=CCCCCCC(=O)c1ccccc1O 1458a_100015234032_100000700193 [0,1,0,0,0,0|1,0,2]=4 4080 B16R1.7596 C=CCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000700193 [0,1,0,0,0,0|1,0,2]=4 4081 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Br 11a_100000703577_100000188424 [0,1,0,0,0,0|1,0,2]=4 4082 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Br 1626a_100000703577_100000188424 [0,1,0,0,0,0|1,0,2]=4 4083 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Br 240690a_100000703577_100000188424 [0,1,0,0,0,0|1,0,2]=4 4084 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Br 527a_100000703577_100000188424 [0,1,0,0,0,0|1,0,2]=4 4085 B16R1.7596 C=CCCCCNC(=O)c1ccccc1C 11a_100000703577_100000212026 [0,1,0,0,0,0|1,0,2]=4 4086 B16R1.7596 C=CCCCCNC(=O)c1ccccc1C 1626a_100000703577_100000212026 [0,1,0,0,0,0|1,0,2]=4 4087 B16R1.7596 C=CCCCCNC(=O)c1ccccc1C 240690a_100000703577_100000212026 [0,1,0,0,0,0|1,0,2]=4 4088 B16R1.7596 C=CCCCCNC(=O)c1ccccc1C 527a_100000703577_100000212026 [0,1,0,0,0,0|1,0,2]=4 4089 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Cl 11a_100000703577_100000185844 [0,1,0,0,0,0|1,0,2]=4 4090 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Cl 1626a_100000703577_100000185844 [0,1,0,0,0,0|1,0,2]=4 4091 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Cl 240690a_100000703577_100000185844 [0,1,0,0,0,0|1,0,2]=4 4092 B16R1.7596 C=CCCCCNC(=O)c1ccccc1Cl 527a_100000703577_100000185844 [0,1,0,0,0,0|1,0,2]=4 4093 B16R1.7596 C=CCCCCNC(=O)c1ccccc1F 11a_100000703577_100000188656 [0,1,0,0,0,0|1,0,2]=4 4094 B16R1.7596 C=CCCCCNC(=O)c1ccccc1F 1626a_100000703577_100000188656 [0,1,0,0,0,0|1,0,2]=4 4095 B16R1.7596 C=CCCCCNC(=O)c1ccccc1F 240690a_100000703577_100000188656 [0,1,0,0,0,0|1,0,2]=4 4096 B16R1.7596 C=CCCCCNC(=O)c1ccccc1F 527a_100000703577_100000188656 [0,1,0,0,0,0|1,0,2]=4 4097 B16R1.7596 C=CCCCCNC(=O)c1ccccc1I 11a_100000703577_100000187884 [0,1,0,0,0,0|1,0,2]=4 4098 B16R1.7596 C=CCCCCNC(=O)c1ccccc1I 1626a_100000703577_100000187884 [0,1,0,0,0,0|1,0,2]=4 4099 B16R1.7596 C=CCCCCNC(=O)c1ccccc1I 240690a_100000703577_100000187884 [0,1,0,0,0,0|1,0,2]=4 4100 B16R1.7596 C=CCCCCNC(=O)c1ccccc1I 527a_100000703577_100000187884 [0,1,0,0,0,0|1,0,2]=4 4101 B16R1.7596 C=CCCCCNC(=O)c1ccccc1O 240690a_100000703577_100015234032 [0,1,0,0,0,0|1,0,2]=4 4102 B16R1.7596 C=CCCCCNC(=O)c1ccccc1[O-] 1626a_100000703577_100009911694 [0,1,0,0,0,0|1,0,2]=4 4103 B16R1.7596 C=CCCCCNC(=O)c1ccccc1[O-] 240690a_100000703577_100009911694 [0,1,0,0,0,0|1,0,2]=4 4104 B16R1.7596 C=CCCCCNC(=O)c1ccccc1[O-] 527a_100000703577_100009911694 [0,1,0,0,0,0|1,0,2]=4 4105 B16R1.7596 CC(OCCCCCBr)c1ccccc1Cl 7a_100000746331_100000181259 [0,1,0,0,0,0|2,0,1]=4 4106 B16R1.7596 CC(OCCCCCBr)c1ccccc1F 34a_100000746331_200000741388 [0,1,0,0,0,0|2,0,1]=4 4107 B16R1.7596 CC(OCCCCCBr)c1ccccc1F 7a_100000746331_200000741388 [0,1,0,0,0,0|2,0,1]=4 4108 B16R1.7596 CC(OCCCCCCl)c1ccccc1Cl 7a_100000746330_100000181259 [0,1,0,0,0,0|2,0,1]=4 4109 B16R1.7596 CC(OCCCCCCl)c1ccccc1F 34a_100000746330_200000741388 [0,1,0,0,0,0|2,0,1]=4 4110 B16R1.7596 CC(OCCCCCCl)c1ccccc1F 7a_100000746330_200000741388 [0,1,0,0,0,0|2,0,1]=4 4111 B16R1.7596 CC(OCCCCCF)c1ccccc1Br 34a_100000702211_100000729378 [0,1,0,0,0,0|2,0,1]=4 4112 B16R1.7596 CC(OCCCCCF)c1ccccc1Br 7a_100000702211_100000729378 [0,1,0,0,0,0|2,0,1]=4 4113 B16R1.7596 CC(OCCCCCF)c1ccccc1Cl 34a_100000740796_100000729378 [0,1,0,0,0,0|2,0,1]=4 4114 B16R1.7596 CC(OCCCCCF)c1ccccc1Cl 7a_100000740796_100000729378 [0,1,0,0,0,0|2,0,1]=4 4115 B16R1.7596 CC(OCCCCCF)c1ccccc1F 34a_100000697922_100000729378 [0,1,0,0,0,0|2,0,1]=4 4116 B16R1.7596 CC(OCCCCCF)c1ccccc1F 7a_100000697922_100000729378 [0,1,0,0,0,0|2,0,1]=4 4117 B16R1.7596 CC(OCCCCCF)c1ccccc1N 7a_100011405641_100000729378 [0,1,0,0,0,0|2,0,1]=4 4118 B16R1.7596 CC(OCCCCCI)c1ccccc1Cl 7a_200012148887_100000181259 [0,1,0,0,0,0|2,0,1]=4 4119 B16R1.7596 CC(OCCCCCI)c1ccccc1F 34a_200012148887_200000741388 [0,1,0,0,0,0|2,0,1]=4 4120 B16R1.7596 CC(OCCCCCI)c1ccccc1F 7a_200012148887_200000741388 [0,1,0,0,0,0|2,0,1]=4 4121 B16R1.7596 CC(OCCCCCN)c1ccccc1F 34a_100000762737_200000741388 [0,1,0,0,0,0|2,0,1]=4 4122 B16R1.7596 CC(OCCCCCO)c1ccccc1Br 34a_100000702211_100000746330 [0,1,0,0,0,0|2,0,1]=4 4123 B16R1.7596 CC(OCCCCCO)c1ccccc1Br 7a_100000702211_100000746330 [0,1,0,0,0,0|2,0,1]=4 4124 B16R1.7596 CC(OCCCCCO)c1ccccc1Cl 34a_100000740796_100000746330 [0,1,0,0,0,0|2,0,1]=4 4125 B16R1.7596 CC(OCCCCCO)c1ccccc1Cl 7a_100000740796_100000746330 [0,1,0,0,0,0|2,0,1]=4 4126 B16R1.7596 CC(OCCCCCO)c1ccccc1F 34a_100000697922_100000746330 [0,1,0,0,0,0|2,0,1]=4 4127 B16R1.7596 CC(OCCCCCO)c1ccccc1F 7a_100000697922_100000746330 [0,1,0,0,0,0|2,0,1]=4 4128 B16R1.7596 CC(OCCCCCO)c1ccccc1N 7a_100011405641_100000746330 [0,1,0,0,0,0|2,0,1]=4 4129 B16R1.7596 CCCCC=NNC(=O)c1ccccc1Br 4a_100000183644_100000210104 [0,1,0,0,0,0|2,0,1]=4 4130 B16R1.7596 CCCCC=NNC(=O)c1ccccc1C 4a_100000181371_100000210104 [0,1,0,0,0,0|2,0,1]=4 4131 B16R1.7596 CCCCC=NNC(=O)c1ccccc1Cl 4a_100000186534_100000210104 [0,1,0,0,0,0|2,0,1]=4 4132 B16R1.7596 CCCCC=NNC(=O)c1ccccc1F 4a_100000183521_100000210104 [0,1,0,0,0,0|2,0,1]=4 4133 B16R1.7596 CCCCC=NNC(=O)c1ccccc1I 4a_100000190081_100000210104 [0,1,0,0,0,0|2,0,1]=4 4134 B16R1.7596 CCCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210614 [0,1,0,0,0,0|1,0,0]=2 4135 B16R1.7596 CCCCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210614 [0,1,0,0,0,0|1,0,0]=2 4136 B16R1.7596 CCCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210614 [0,1,0,0,0,0|1,0,0]=2 4137 B16R1.7596 CCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210614 [0,1,0,0,0,0|1,0,0]=2 4138 B16R1.7596 CCCCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210614 [0,1,0,0,0,0|1,0,0]=2 4139 B16R1.7596 CCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210614 [0,1,0,0,0,0|1,0,0]=2 4140 B16R1.7596 CCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210614 [0,1,0,0,0,0|1,0,0]=2 4141 B16R1.7596 CCCCCCCN(C)c1ccccc1Br 2230a_100020606079_100000210681 [0,1,0,0,0,0|3,0,0]=4 4142 B16R1.7596 CCCCCCCN(C)c1ccccc1Br 269982a_100020606079_100000210681 [0,1,0,0,0,0|3,0,0]=4 4143 B16R1.7596 CCCCCCCN(C)c1ccccc1Br 34a_100020606079_100000210614 [0,1,0,0,0,0|3,0,0]=4 4144 B16R1.7596 CCCCCCCN(C)c1ccccc1C 2230a_100000219699_100000210681 [0,1,0,0,0,0|3,0,0]=4 4145 B16R1.7596 CCCCCCCN(C)c1ccccc1C 269982a_100000219699_100000210681 [0,1,0,0,0,0|3,0,0]=4 4146 B16R1.7596 CCCCCCCN(C)c1ccccc1C 34a_100000219699_100000210614 [0,1,0,0,0,0|3,0,0]=4 4147 B16R1.7596 CCCCCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210681 [0,1,0,0,0,0|3,0,0]=4 4148 B16R1.7596 CCCCCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210681 [0,1,0,0,0,0|3,0,0]=4 4149 B16R1.7596 CCCCCCCN(C)c1ccccc1Cl 34a_100000219374_100000210614 [0,1,0,0,0,0|3,0,0]=4 4150 B16R1.7596 CCCCCCCN(C)c1ccccc1F 2230a_100000220357_100000210681 [0,1,0,0,0,0|3,0,0]=4 4151 B16R1.7596 CCCCCCCN(C)c1ccccc1F 269982a_100000220357_100000210681 [0,1,0,0,0,0|3,0,0]=4 4152 B16R1.7596 CCCCCCCN(C)c1ccccc1F 34a_100000220357_100000210614 [0,1,0,0,0,0|3,0,0]=4 4153 B16R1.7596 CCCCCCCN(C)c1ccccc1F 38a_100000220357_100000210614 [0,1,0,0,0,0|3,0,0]=4 4154 B16R1.7596 CCCCCCCN(C)c1ccccc1O 269982a_100000033821_100000210681 [0,1,0,0,0,0|3,0,0]=4 4155 B16R1.7596 CCCCCCNC(=O)c1ccccc1Br 11a_100000210581_100000188424 [0,1,0,0,0,0|1,0,0]=2 4156 B16R1.7596 CCCCCCNC(=O)c1ccccc1Br 1626a_100000210581_100000188424 [0,1,0,0,0,0|1,0,0]=2 4157 B16R1.7596 CCCCCCNC(=O)c1ccccc1Br 240690a_100000210581_100000188424 [0,1,0,0,0,0|1,0,0]=2 4158 B16R1.7596 CCCCCCNC(=O)c1ccccc1Br 527a_100000210581_100000188424 [0,1,0,0,0,0|1,0,0]=2 4159 B16R1.7596 CCCCCCNC(=O)c1ccccc1C 11a_100000210581_100000212026 [0,1,0,0,0,0|1,0,0]=2 4160 B16R1.7596 CCCCCCNC(=O)c1ccccc1C 1626a_100000210581_100000212026 [0,1,0,0,0,0|1,0,0]=2 4161 B16R1.7596 CCCCCCNC(=O)c1ccccc1C 240690a_100000210581_100000212026 [0,1,0,0,0,0|1,0,0]=2 4162 B16R1.7596 CCCCCCNC(=O)c1ccccc1C 527a_100000210581_100000212026 [0,1,0,0,0,0|1,0,0]=2 4163 B16R1.7596 CCCCCCNC(=O)c1ccccc1Cl 11a_100000210581_100000185844 [0,1,0,0,0,0|1,0,0]=2 4164 B16R1.7596 CCCCCCNC(=O)c1ccccc1Cl 1626a_100000210581_100000185844 [0,1,0,0,0,0|1,0,0]=2 4165 B16R1.7596 CCCCCCNC(=O)c1ccccc1Cl 240690a_100000210581_100000185844 [0,1,0,0,0,0|1,0,0]=2 4166 B16R1.7596 CCCCCCNC(=O)c1ccccc1Cl 527a_100000210581_100000185844 [0,1,0,0,0,0|1,0,0]=2 4167 B16R1.7596 CCCCCCNC(=O)c1ccccc1F 11a_100000210581_100000188656 [0,1,0,0,0,0|1,0,0]=2 4168 B16R1.7596 CCCCCCNC(=O)c1ccccc1F 1626a_100000210581_100000188656 [0,1,0,0,0,0|1,0,0]=2 4169 B16R1.7596 CCCCCCNC(=O)c1ccccc1F 240690a_100000210581_100000188656 [0,1,0,0,0,0|1,0,0]=2 4170 B16R1.7596 CCCCCCNC(=O)c1ccccc1F 527a_100000210581_100000188656 [0,1,0,0,0,0|1,0,0]=2 4171 B16R1.7596 CCCCCCNC(=O)c1ccccc1I 11a_100000210581_100000187884 [0,1,0,0,0,0|1,0,0]=2 4172 B16R1.7596 CCCCCCNC(=O)c1ccccc1I 1626a_100000210581_100000187884 [0,1,0,0,0,0|1,0,0]=2 4173 B16R1.7596 CCCCCCNC(=O)c1ccccc1I 240690a_100000210581_100000187884 [0,1,0,0,0,0|1,0,0]=2 4174 B16R1.7596 CCCCCCNC(=O)c1ccccc1I 527a_100000210581_100000187884 [0,1,0,0,0,0|1,0,0]=2 4175 B16R1.7596 CCCCCCNC(=O)c1ccccc1O 240690a_100000210581_100015234032 [0,1,0,0,0,0|1,0,0]=2 4176 B16R1.7596 CCCCCCNC(=O)c1ccccc1[O-] 1626a_100000210581_100009911694 [0,1,0,0,0,0|1,0,0]=2 4177 B16R1.7596 CCCCCCNC(=O)c1ccccc1[O-] 240690a_100000210581_100009911694 [0,1,0,0,0,0|1,0,0]=2 4178 B16R1.7596 CCCCCCNC(=O)c1ccccc1[O-] 527a_100000210581_100009911694 [0,1,0,0,0,0|1,0,0]=2 4179 B16R1.7596 CCCCCCNC(C)c1ccccc1Br 2230a_100000181357_100000210314 [0,1,0,0,0,0|2,0,1]=4 4180 B16R1.7596 CCCCCCNC(C)c1ccccc1Br 269862a_100000210581_100000187085 [0,1,0,0,0,0|2,0,1]=4 4181 B16R1.7596 CCCCCCNC(C)c1ccccc1C 2230a_100000181355_100000210314 [0,1,0,0,0,0|2,0,1]=4 4182 B16R1.7596 CCCCCCNC(C)c1ccccc1C 269862a_100000210581_100000211656 [0,1,0,0,0,0|2,0,1]=4 4183 B16R1.7596 CCCCCCNC(C)c1ccccc1C 34a_100000181355_100000210314 [0,1,0,0,0,0|2,0,1]=4 4184 B16R1.7596 CCCCCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210314 [0,1,0,0,0,0|2,0,1]=4 4185 B16R1.7596 CCCCCCNC(C)c1ccccc1Cl 2230a_100000210581_100000181259 [0,1,0,0,0,0|2,0,1]=4 4186 B16R1.7596 CCCCCCNC(C)c1ccccc1Cl 269862a_100000210581_100000210134 [0,1,0,0,0,0|2,0,1]=4 4187 B16R1.7596 CCCCCCNC(C)c1ccccc1Cl 34a_100000174978_100000210314 [0,1,0,0,0,0|2,0,1]=4 4188 B16R1.7596 CCCCCCNC(C)c1ccccc1F 2230a_100000181408_100000210314 [0,1,0,0,0,0|2,0,1]=4 4189 B16R1.7596 CCCCCCNC(C)c1ccccc1F 2230a_100000210581_200000741388 [0,1,0,0,0,0|2,0,1]=4 4190 B16R1.7596 CCCCCCNC(C)c1ccccc1F 269862a_100000210581_100000210632 [0,1,0,0,0,0|2,0,1]=4 4191 B16R1.7596 CCCCCCNC(C)c1ccccc1F 34a_100000181408_100000210314 [0,1,0,0,0,0|2,0,1]=4 4192 B16R1.7596 CCCCCCNC(C)c1ccccc1I 269862a_100000210581_100000751169 [0,1,0,0,0,0|2,0,1]=4 4193 B16R1.7596 CCCCCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210314 [0,1,0,0,0,0|2,0,1]=4 4194 B16R1.7596 CCCCCCOC(C)c1ccccc1Br 34a_100000702211_100000210314 [0,1,0,0,0,0|1,0,1]=3 4195 B16R1.7596 CCCCCCOC(C)c1ccccc1Br 7a_100000702211_100000210314 [0,1,0,0,0,0|1,0,1]=3 4196 B16R1.7596 CCCCCCOC(C)c1ccccc1C 34a_100000742021_100000210314 [0,1,0,0,0,0|1,0,1]=3 4197 B16R1.7596 CCCCCCOC(C)c1ccccc1C 7a_100000742021_100000210314 [0,1,0,0,0,0|1,0,1]=3 4198 B16R1.7596 CCCCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210314 [0,1,0,0,0,0|1,0,1]=3 4199 B16R1.7596 CCCCCCOC(C)c1ccccc1Cl 7a_100000210259_100000181259 [0,1,0,0,0,0|1,0,1]=3 4200 B16R1.7596 CCCCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210314 [0,1,0,0,0,0|1,0,1]=3 4201 B16R1.7596 CCCCCCOC(C)c1ccccc1F 34a_100000210259_200000741388 [0,1,0,0,0,0|1,0,1]=3 4202 B16R1.7596 CCCCCCOC(C)c1ccccc1F 34a_100000697922_100000210314 [0,1,0,0,0,0|1,0,1]=3 4203 B16R1.7596 CCCCCCOC(C)c1ccccc1F 7a_100000210259_200000741388 [0,1,0,0,0,0|1,0,1]=3 4204 B16R1.7596 CCCCCCOC(C)c1ccccc1F 7a_100000697922_100000210314 [0,1,0,0,0,0|1,0,1]=3 4205 B16R1.7596 CCCCCCOC(C)c1ccccc1N 7a_100011405641_100000210314 [0,1,0,0,0,0|1,0,1]=3 4206 B16R1.7596 CCCCCCOC(C)c1cccnc1Cl 34a_100009865335_100000210314 [0,1,0,0,0,0|2,0,1]=4 4207 B16R1.7596 CCCCCCOC(C)c1cccnc1Cl 7a_100009865335_100000210314 [0,1,0,0,0,0|2,0,1]=4 4208 B16R1.7596 CCCCCCOC(C)c1ccncc1F 34a_100012180158_100000210314 [0,1,0,0,0,0|2,0,1]=4 4209 B16R1.7596 CCCCCCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000210314 [0,1,0,0,0,0|2,0,1]=4 4210 B16R1.7596 CCCCCCSC(C)c1ccccc1Cl 62a_100000181259_100000210757 [0,1,0,0,0,0|1,1,1]=4 4211 B16R1.7596 CCCCCCSC(C)c1ccccc1Cl 62a_100000210314_100000181259 [0,1,0,0,0,0|1,1,1]=4 4212 B16R1.7596 CCCCCCSC(C)c1ccccc1F 62a_100000210314_200000741388 [0,1,0,0,0,0|1,1,1]=4 4213 B16R1.7596 CCCCCCSC(C)c1ccccc1F 62a_200000741388_100000210757 [0,1,0,0,0,0|1,1,1]=4 4214 B16R1.7596 CCCCCNCC(=O)c1ccccc1C 2230a_100000209983_100000741374 [0,1,0,0,0,0|2,0,0]=3 4215 B16R1.7596 CCCCCNN=C(C)c1ccccc1Br 4a_100000694160_100000187085 [0,1,0,0,0,0|3,0,0]=4 4216 B16R1.7596 CCCCCNN=C(C)c1ccccc1C 4a_100000694160_100000211656 [0,1,0,0,0,0|3,0,0]=4 4217 B16R1.7596 CCCCCNN=C(C)c1ccccc1Cl 4a_100000694160_100000210134 [0,1,0,0,0,0|3,0,0]=4 4218 B16R1.7596 CCCCCNN=C(C)c1ccccc1F 4a_100000694160_100000210632 [0,1,0,0,0,0|3,0,0]=4 4219 B16R1.7596 CCCCCNN=C(C)c1ccccc1I 4a_100000694160_100000751169 [0,1,0,0,0,0|3,0,0]=4 4220 B16R1.7596 CCCCCNN=C(C)c1ccccc1O 4a_100000694160_100000188907 [0,1,0,0,0,0|3,0,0]=4 4221 B16R1.7596 CCCCCNNC(=O)c1ccccc1Br 22a_100000694160_100000188424 [0,1,0,0,0,0|2,0,0]=3 4222 B16R1.7596 CCCCCNNC(=O)c1ccccc1C 22a_100000694160_100000212026 [0,1,0,0,0,0|2,0,0]=3 4223 B16R1.7596 CCCCCNNC(=O)c1ccccc1Cl 22a_100000694160_100000185844 [0,1,0,0,0,0|2,0,0]=3 4224 B16R1.7596 CCCCCNNC(=O)c1ccccc1F 22a_100000694160_100000188656 [0,1,0,0,0,0|2,0,0]=3 4225 B16R1.7596 CCCCCNNC(=O)c1ccccc1I 22a_100000694160_100000187884 [0,1,0,0,0,0|2,0,0]=3 4226 B16R1.7596 CCCCCNNC(=O)c1ccccc1O 22a_100000694160_100015234032 [0,1,0,0,0,0|2,0,0]=3 4227 B16R1.7596 CCCCCNNC(=O)c1ccccc1[O-] 22a_100000694160_100009911694 [0,1,0,0,0,0|2,0,0]=3 4228 B16R1.7596 CCCCCOCC(=O)c1ccccc1Br 34a_100000210253_100000199116 [0,1,0,0,0,0|2,0,0]=3 4229 B16R1.7596 CCCCCOCC(=O)c1ccccc1C 34a_100000210253_100000741374 [0,1,0,0,0,0|2,0,0]=3 4230 B16R1.7596 CCCCCOCC(=O)c1ccccc1C 7a_100000210253_100000741374 [0,1,0,0,0,0|2,0,0]=3 4231 B16R1.7596 CCCCCOCC(=O)c1ccccc1Cl 34a_100000210253_100000211432 [0,1,0,0,0,0|2,0,0]=3 4232 B16R1.7596 CCCCCOCC(=O)c1ccccc1F 34a_100000210253_100000204681 [0,1,0,0,0,0|2,0,0]=3 4233 B16R1.7596 CCCCCOCC(=O)c1ccccc1F 7a_100000210253_100000204681 [0,1,0,0,0,0|2,0,0]=3 4234 B16R1.7596 CCCCCOCC(=O)c1ccccc1O 7a_100000210253_100000188908 [0,1,0,0,0,0|2,0,0]=3 4235 B16R1.7596 CCCCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210326 [0,1,0,0,0,0|2,0,0]=3 4236 B16R1.7596 CCCCCSCC(=O)c1ccccc1C 62a_100000210326_100000741374 [0,1,0,0,0,0|2,0,0]=3 4237 B16R1.7596 CCCCCSCC(=O)c1ccccc1C 62a_100000741374_100000210326 [0,1,0,0,0,0|2,0,0]=3 4238 B16R1.7596 CCCCCSCC(=O)c1ccccc1Cl 62a_100000210326_100000211432 [0,1,0,0,0,0|2,0,0]=3 4239 B16R1.7596 CCCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210326 [0,1,0,0,0,0|2,0,0]=3 4240 B16R1.7596 CCCCCSCC(=O)c1ccccc1F 62a_100000204681_100000210326 [0,1,0,0,0,0|2,0,0]=3 4241 B16R1.7596 CCCCCSCC(=O)c1ccccc1F 62a_100000210326_100000204681 [0,1,0,0,0,0|2,0,0]=3 4242 B16R1.7596 CCCCCSCC(=O)c1ccccc1O 62a_100000188908_100000210326 [0,1,0,0,0,0|2,0,0]=3 4243 B16R1.7596 CCCCCSCC(=O)c1ccccc1O 62a_100000210326_100000188908 [0,1,0,0,0,0|2,0,0]=3 4244 B16R1.7596 CCCCNCCC(=O)c1ccccc1F 2230a_100000102301_100000086012 [0,1,0,0,0,0|2,0,0]=3 4245 B16R1.7596 CCCCNCCC(=O)c1ccccc1F 7a_106832991798_100000086012 [0,1,0,0,0,0|2,0,0]=3 4246 B16R1.7596 CCCCNCCC(=O)c1ccccc1O 7a_106832991798_100009873196 [0,1,0,0,0,0|2,0,0]=3 4247 B16R1.7596 CCCCOCCC(=O)c1ccccc1Br 1458a_100000188424_100000743108 [0,1,0,0,0,0|2,0,0]=3 4248 B16R1.7596 CCCCOCCC(=O)c1ccccc1C 1458a_100000212026_100000743108 [0,1,0,0,0,0|2,0,0]=3 4249 B16R1.7596 CCCCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100000743108 [0,1,0,0,0,0|2,0,0]=3 4250 B16R1.7596 CCCCOCCC(=O)c1ccccc1F 1458a_100000188656_100000743108 [0,1,0,0,0,0|2,0,0]=3 4251 B16R1.7596 CCCCOCCC(=O)c1ccccc1F 7a_100000210227_100000086012 [0,1,0,0,0,0|2,0,0]=3 4252 B16R1.7596 CCCCOCCC(=O)c1ccccc1I 1458a_100000187884_100000743108 [0,1,0,0,0,0|2,0,0]=3 4253 B16R1.7596 CCCCOCCC(=O)c1ccccc1O 1458a_100015234032_100000743108 [0,1,0,0,0,0|2,0,0]=3 4254 B16R1.7596 CCCCOCCC(=O)c1ccccc1O 7a_100000210227_100009873196 [0,1,0,0,0,0|2,0,0]=3 4255 B16R1.7596 CCCCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000743108 [0,1,0,0,0,0|2,0,0]=3 4256 B16R1.7596 CCCCOCOC(C)c1ccccc1Br 34a_100000702211_100011995733 [0,1,0,0,0,0|2,0,1]=4 4257 B16R1.7596 CCCCOCOC(C)c1ccccc1C 34a_100000742021_100011995733 [0,1,0,0,0,0|2,0,1]=4 4258 B16R1.7596 CCCCOCOC(C)c1ccccc1Cl 34a_100000740796_100011995733 [0,1,0,0,0,0|2,0,1]=4 4259 B16R1.7596 CCCCOCOC(C)c1ccccc1F 34a_100000697922_100011995733 [0,1,0,0,0,0|2,0,1]=4 4260 B16R1.7596 CCCCSCCC(=O)c1ccccc1F 62a_100000086012_100000210210 [0,1,0,0,0,0|2,0,0]=3 4261 B16R1.7596 CCCCSCCC(=O)c1ccccc1F 62a_100000210211_100000086012 [0,1,0,0,0,0|2,0,0]=3 4262 B16R1.7596 CCCCSCCC(=O)c1ccccc1O 62a_100000210211_100009873196 [0,1,0,0,0,0|2,0,0]=3 4263 B16R1.7596 CCCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210303 [0,1,0,0,0,0|2,0,0]=3 4264 B16R1.7596 CCCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210303 [0,1,0,0,0,0|2,0,0]=3 4265 B16R1.7596 CCCOCCNC(=O)c1ccccc1Br 1626a_100161115042_100000188424 [0,1,0,0,0,0|2,0,0]=3 4266 B16R1.7596 CCCOCCNC(=O)c1ccccc1Br 240690a_100161115042_100000188424 [0,1,0,0,0,0|2,0,0]=3 4267 B16R1.7596 CCCOCCNC(=O)c1ccccc1Br 34a_200000158863_100000210303 [0,1,0,0,0,0|2,0,0]=3 4268 B16R1.7596 CCCOCCNC(=O)c1ccccc1Br 527a_100161115042_100000188424 [0,1,0,0,0,0|2,0,0]=3 4269 B16R1.7596 CCCOCCNC(=O)c1ccccc1Br 7a_200000158863_100000210303 [0,1,0,0,0,0|2,0,0]=3 4270 B16R1.7596 CCCOCCNC(=O)c1ccccc1C 1626a_100161115042_100000212026 [0,1,0,0,0,0|2,0,0]=3 4271 B16R1.7596 CCCOCCNC(=O)c1ccccc1C 240690a_100161115042_100000212026 [0,1,0,0,0,0|2,0,0]=3 4272 B16R1.7596 CCCOCCNC(=O)c1ccccc1C 527a_100161115042_100000212026 [0,1,0,0,0,0|2,0,0]=3 4273 B16R1.7596 CCCOCCNC(=O)c1ccccc1Cl 1626a_100161115042_100000185844 [0,1,0,0,0,0|2,0,0]=3 4274 B16R1.7596 CCCOCCNC(=O)c1ccccc1Cl 240690a_100161115042_100000185844 [0,1,0,0,0,0|2,0,0]=3 4275 B16R1.7596 CCCOCCNC(=O)c1ccccc1Cl 527a_100161115042_100000185844 [0,1,0,0,0,0|2,0,0]=3 4276 B16R1.7596 CCCOCCNC(=O)c1ccccc1F 1626a_100161115042_100000188656 [0,1,0,0,0,0|2,0,0]=3 4277 B16R1.7596 CCCOCCNC(=O)c1ccccc1F 240690a_100161115042_100000188656 [0,1,0,0,0,0|2,0,0]=3 4278 B16R1.7596 CCCOCCNC(=O)c1ccccc1F 527a_100161115042_100000188656 [0,1,0,0,0,0|2,0,0]=3 4279 B16R1.7596 CCCOCCNC(=O)c1ccccc1I 1626a_100161115042_100000187884 [0,1,0,0,0,0|2,0,0]=3 4280 B16R1.7596 CCCOCCNC(=O)c1ccccc1I 240690a_100161115042_100000187884 [0,1,0,0,0,0|2,0,0]=3 4281 B16R1.7596 CCCOCCNC(=O)c1ccccc1I 527a_100161115042_100000187884 [0,1,0,0,0,0|2,0,0]=3 4282 B16R1.7596 CCCOCCNC(=O)c1ccccc1O 240690a_100161115042_100015234032 [0,1,0,0,0,0|2,0,0]=3 4283 B16R1.7596 CCCOCCNC(=O)c1ccccc1[O-] 1626a_100161115042_100009911694 [0,1,0,0,0,0|2,0,0]=3 4284 B16R1.7596 CCCOCCNC(=O)c1ccccc1[O-] 240690a_100161115042_100009911694 [0,1,0,0,0,0|2,0,0]=3 4285 B16R1.7596 CCCOCCNC(=O)c1ccccc1[O-] 527a_100161115042_100009911694 [0,1,0,0,0,0|2,0,0]=3 4286 B16R1.7596 CCCOCCOC(C)c1ccccc1Br 34a_100000702211_100011215938 [0,1,0,0,0,0|2,0,1]=4 4287 B16R1.7596 CCCOCCOC(C)c1ccccc1Br 7a_100000702211_100011215938 [0,1,0,0,0,0|2,0,1]=4 4288 B16R1.7596 CCCOCCOC(C)c1ccccc1C 34a_100000742021_100011215938 [0,1,0,0,0,0|2,0,1]=4 4289 B16R1.7596 CCCOCCOC(C)c1ccccc1C 7a_100000742021_100011215938 [0,1,0,0,0,0|2,0,1]=4 4290 B16R1.7596 CCCOCCOC(C)c1ccccc1Cl 34a_100000740796_100011215938 [0,1,0,0,0,0|2,0,1]=4 4291 B16R1.7596 CCCOCCOC(C)c1ccccc1Cl 7a_100000740796_100011215938 [0,1,0,0,0,0|2,0,1]=4 4292 B16R1.7596 CCCOCCOC(C)c1ccccc1Cl 7a_100000752267_100000181259 [0,1,0,0,0,0|2,0,1]=4 4293 B16R1.7596 CCCOCCOC(C)c1ccccc1F 34a_100000697922_100011215938 [0,1,0,0,0,0|2,0,1]=4 4294 B16R1.7596 CCCOCCOC(C)c1ccccc1F 34a_100000752267_200000741388 [0,1,0,0,0,0|2,0,1]=4 4295 B16R1.7596 CCCOCCOC(C)c1ccccc1F 7a_100000697922_100011215938 [0,1,0,0,0,0|2,0,1]=4 4296 B16R1.7596 CCCOCCOC(C)c1ccccc1F 7a_100000752267_200000741388 [0,1,0,0,0,0|2,0,1]=4 4297 B16R1.7596 CCCOCCOC(C)c1ccccc1N 7a_100011405641_100011215938 [0,1,0,0,0,0|2,0,1]=4 4298 B16R1.7596 CCCSCCNC(=O)c1ccccc1Br 11a_100020603323_100000188424 [0,1,0,0,0,0|2,0,0]=3 4299 B16R1.7596 CCCSCCNC(=O)c1ccccc1Br 240690a_100020603323_100000188424 [0,1,0,0,0,0|2,0,0]=3 4300 B16R1.7596 CCCSCCNC(=O)c1ccccc1Br 527a_100020603323_100000188424 [0,1,0,0,0,0|2,0,0]=3 4301 B16R1.7596 CCCSCCNC(=O)c1ccccc1C 11a_100020603323_100000212026 [0,1,0,0,0,0|2,0,0]=3 4302 B16R1.7596 CCCSCCNC(=O)c1ccccc1C 240690a_100020603323_100000212026 [0,1,0,0,0,0|2,0,0]=3 4303 B16R1.7596 CCCSCCNC(=O)c1ccccc1C 527a_100020603323_100000212026 [0,1,0,0,0,0|2,0,0]=3 4304 B16R1.7596 CCCSCCNC(=O)c1ccccc1Cl 11a_100020603323_100000185844 [0,1,0,0,0,0|2,0,0]=3 4305 B16R1.7596 CCCSCCNC(=O)c1ccccc1Cl 240690a_100020603323_100000185844 [0,1,0,0,0,0|2,0,0]=3 4306 B16R1.7596 CCCSCCNC(=O)c1ccccc1Cl 527a_100020603323_100000185844 [0,1,0,0,0,0|2,0,0]=3 4307 B16R1.7596 CCCSCCNC(=O)c1ccccc1F 11a_100020603323_100000188656 [0,1,0,0,0,0|2,0,0]=3 4308 B16R1.7596 CCCSCCNC(=O)c1ccccc1F 240690a_100020603323_100000188656 [0,1,0,0,0,0|2,0,0]=3 4309 B16R1.7596 CCCSCCNC(=O)c1ccccc1F 527a_100020603323_100000188656 [0,1,0,0,0,0|2,0,0]=3 4310 B16R1.7596 CCCSCCNC(=O)c1ccccc1I 11a_100020603323_100000187884 [0,1,0,0,0,0|2,0,0]=3 4311 B16R1.7596 CCCSCCNC(=O)c1ccccc1I 240690a_100020603323_100000187884 [0,1,0,0,0,0|2,0,0]=3 4312 B16R1.7596 CCCSCCNC(=O)c1ccccc1I 527a_100020603323_100000187884 [0,1,0,0,0,0|2,0,0]=3 4313 B16R1.7596 CCCSCCNC(=O)c1ccccc1O 240690a_100020603323_100015234032 [0,1,0,0,0,0|2,0,0]=3 4314 B16R1.7596 CCCSCCNC(=O)c1ccccc1[O-] 240690a_100020603323_100009911694 [0,1,0,0,0,0|2,0,0]=3 4315 B16R1.7596 CCCSCCNC(=O)c1ccccc1[O-] 527a_100020603323_100009911694 [0,1,0,0,0,0|2,0,0]=3 4316 B16R1.7596 CCCSCCOC(C)c1ccccc1Cl 7a_200000230433_100000181259 [0,1,0,0,0,0|2,0,1]=4 4317 B16R1.7596 CCCSCCOC(C)c1ccccc1F 34a_200000230433_200000741388 [0,1,0,0,0,0|2,0,1]=4 4318 B16R1.7596 CCCSCCOC(C)c1ccccc1F 7a_200000230433_200000741388 [0,1,0,0,0,0|2,0,1]=4 4319 B16R1.7596 CCOCCCNC(=O)c1ccccc1Br 11a_100000210961_100000188424 [0,1,0,0,0,0|2,0,0]=3 4320 B16R1.7596 CCOCCCNC(=O)c1ccccc1Br 1626a_100000210961_100000188424 [0,1,0,0,0,0|2,0,0]=3 4321 B16R1.7596 CCOCCCNC(=O)c1ccccc1Br 240690a_100000210961_100000188424 [0,1,0,0,0,0|2,0,0]=3 4322 B16R1.7596 CCOCCCNC(=O)c1ccccc1Br 527a_100000210961_100000188424 [0,1,0,0,0,0|2,0,0]=3 4323 B16R1.7596 CCOCCCNC(=O)c1ccccc1C 11a_100000210961_100000212026 [0,1,0,0,0,0|2,0,0]=3 4324 B16R1.7596 CCOCCCNC(=O)c1ccccc1C 1626a_100000210961_100000212026 [0,1,0,0,0,0|2,0,0]=3 4325 B16R1.7596 CCOCCCNC(=O)c1ccccc1C 240690a_100000210961_100000212026 [0,1,0,0,0,0|2,0,0]=3 4326 B16R1.7596 CCOCCCNC(=O)c1ccccc1C 527a_100000210961_100000212026 [0,1,0,0,0,0|2,0,0]=3 4327 B16R1.7596 CCOCCCNC(=O)c1ccccc1Cl 11a_100000210961_100000185844 [0,1,0,0,0,0|2,0,0]=3 4328 B16R1.7596 CCOCCCNC(=O)c1ccccc1Cl 1626a_100000210961_100000185844 [0,1,0,0,0,0|2,0,0]=3 4329 B16R1.7596 CCOCCCNC(=O)c1ccccc1Cl 240690a_100000210961_100000185844 [0,1,0,0,0,0|2,0,0]=3 4330 B16R1.7596 CCOCCCNC(=O)c1ccccc1Cl 527a_100000210961_100000185844 [0,1,0,0,0,0|2,0,0]=3 4331 B16R1.7596 CCOCCCNC(=O)c1ccccc1F 11a_100000210961_100000188656 [0,1,0,0,0,0|2,0,0]=3 4332 B16R1.7596 CCOCCCNC(=O)c1ccccc1F 1626a_100000210961_100000188656 [0,1,0,0,0,0|2,0,0]=3 4333 B16R1.7596 CCOCCCNC(=O)c1ccccc1F 240690a_100000210961_100000188656 [0,1,0,0,0,0|2,0,0]=3 4334 B16R1.7596 CCOCCCNC(=O)c1ccccc1F 527a_100000210961_100000188656 [0,1,0,0,0,0|2,0,0]=3 4335 B16R1.7596 CCOCCCNC(=O)c1ccccc1I 11a_100000210961_100000187884 [0,1,0,0,0,0|2,0,0]=3 4336 B16R1.7596 CCOCCCNC(=O)c1ccccc1I 1626a_100000210961_100000187884 [0,1,0,0,0,0|2,0,0]=3 4337 B16R1.7596 CCOCCCNC(=O)c1ccccc1I 240690a_100000210961_100000187884 [0,1,0,0,0,0|2,0,0]=3 4338 B16R1.7596 CCOCCCNC(=O)c1ccccc1I 527a_100000210961_100000187884 [0,1,0,0,0,0|2,0,0]=3 4339 B16R1.7596 CCOCCCNC(=O)c1ccccc1N 34a_200011191992_100000210202 [0,1,0,0,0,0|2,0,0]=3 4340 B16R1.7596 CCOCCCNC(=O)c1ccccc1O 240690a_100000210961_100015234032 [0,1,0,0,0,0|2,0,0]=3 4341 B16R1.7596 CCOCCCNC(=O)c1ccccc1[O-] 1626a_100000210961_100009911694 [0,1,0,0,0,0|2,0,0]=3 4342 B16R1.7596 CCOCCCNC(=O)c1ccccc1[O-] 240690a_100000210961_100009911694 [0,1,0,0,0,0|2,0,0]=3 4343 B16R1.7596 CCOCCCNC(=O)c1ccccc1[O-] 527a_100000210961_100009911694 [0,1,0,0,0,0|2,0,0]=3 4344 B16R1.7596 CCOCCCOC(C)c1ccccc1Br 34a_100000702211_100012232248 [0,1,0,0,0,0|2,0,1]=4 4345 B16R1.7596 CCOCCCOC(C)c1ccccc1Br 7a_100000702211_100012232248 [0,1,0,0,0,0|2,0,1]=4 4346 B16R1.7596 CCOCCCOC(C)c1ccccc1C 34a_100000742021_100012232248 [0,1,0,0,0,0|2,0,1]=4 4347 B16R1.7596 CCOCCCOC(C)c1ccccc1C 7a_100000742021_100012232248 [0,1,0,0,0,0|2,0,1]=4 4348 B16R1.7596 CCOCCCOC(C)c1ccccc1Cl 34a_100000740796_100012232248 [0,1,0,0,0,0|2,0,1]=4 4349 B16R1.7596 CCOCCCOC(C)c1ccccc1Cl 7a_100000740796_100012232248 [0,1,0,0,0,0|2,0,1]=4 4350 B16R1.7596 CCOCCCOC(C)c1ccccc1Cl 7a_100000757476_100000181259 [0,1,0,0,0,0|2,0,1]=4 4351 B16R1.7596 CCOCCCOC(C)c1ccccc1F 34a_100000697922_100012232248 [0,1,0,0,0,0|2,0,1]=4 4352 B16R1.7596 CCOCCCOC(C)c1ccccc1F 34a_100000757476_200000741388 [0,1,0,0,0,0|2,0,1]=4 4353 B16R1.7596 CCOCCCOC(C)c1ccccc1F 7a_100000697922_100012232248 [0,1,0,0,0,0|2,0,1]=4 4354 B16R1.7596 CCOCCCOC(C)c1ccccc1F 7a_100000757476_200000741388 [0,1,0,0,0,0|2,0,1]=4 4355 B16R1.7596 CCOCCCOC(C)c1ccccc1N 7a_100011405641_100012232248 [0,1,0,0,0,0|2,0,1]=4 4356 B16R1.7596 CCOCCNCC(=O)c1ccccc1Br 34a_102516460346_100000199116 [0,1,0,0,0,0|3,0,0]=4 4357 B16R1.7596 CCOCCNCC(=O)c1ccccc1C 2230a_102516460346_100000741374 [0,1,0,0,0,0|3,0,0]=4 4358 B16R1.7596 CCOCCNCC(=O)c1ccccc1C 34a_102516460346_100000741374 [0,1,0,0,0,0|3,0,0]=4 4359 B16R1.7596 CCOCCNCC(=O)c1ccccc1Cl 34a_102516460346_100000211432 [0,1,0,0,0,0|3,0,0]=4 4360 B16R1.7596 CCOCCNCC(=O)c1ccccc1F 34a_102516460346_100000204681 [0,1,0,0,0,0|3,0,0]=4 4361 B16R1.7596 CCOCCNNC(=O)c1ccccc1Br 22a_100000732670_100000188424 [0,1,0,0,0,0|3,0,0]=4 4362 B16R1.7596 CCOCCNNC(=O)c1ccccc1C 22a_100000732670_100000212026 [0,1,0,0,0,0|3,0,0]=4 4363 B16R1.7596 CCOCCNNC(=O)c1ccccc1Cl 22a_100000732670_100000185844 [0,1,0,0,0,0|3,0,0]=4 4364 B16R1.7596 CCOCCNNC(=O)c1ccccc1F 22a_100000732670_100000188656 [0,1,0,0,0,0|3,0,0]=4 4365 B16R1.7596 CCOCCNNC(=O)c1ccccc1I 22a_100000732670_100000187884 [0,1,0,0,0,0|3,0,0]=4 4366 B16R1.7596 CCOCCNNC(=O)c1ccccc1O 22a_100000732670_100015234032 [0,1,0,0,0,0|3,0,0]=4 4367 B16R1.7596 CCOCCNNC(=O)c1ccccc1[O-] 22a_100000732670_100009911694 [0,1,0,0,0,0|3,0,0]=4 4368 B16R1.7596 CCOCCOCC(=O)c1ccccc1Br 34a_100000210136_100000199116 [0,1,0,0,0,0|3,0,0]=4 4369 B16R1.7596 CCOCCOCC(=O)c1ccccc1C 34a_100000210136_100000741374 [0,1,0,0,0,0|3,0,0]=4 4370 B16R1.7596 CCOCCOCC(=O)c1ccccc1C 7a_100000210136_100000741374 [0,1,0,0,0,0|3,0,0]=4 4371 B16R1.7596 CCOCCOCC(=O)c1ccccc1Cl 34a_100000210136_100000211432 [0,1,0,0,0,0|3,0,0]=4 4372 B16R1.7596 CCOCCOCC(=O)c1ccccc1F 34a_100000210136_100000204681 [0,1,0,0,0,0|3,0,0]=4 4373 B16R1.7596 CCOCCOCC(=O)c1ccccc1F 7a_100000210136_100000204681 [0,1,0,0,0,0|3,0,0]=4 4374 B16R1.7596 CCOCCOCC(=O)c1ccccc1O 7a_100000210136_100000188908 [0,1,0,0,0,0|3,0,0]=4 4375 B16R1.7596 CCOCCSCC(=O)c1ccccc1Br 62a_100000199116_100011215890 [0,1,0,0,0,0|3,0,0]=4 4376 B16R1.7596 CCOCCSCC(=O)c1ccccc1C 62a_100000210147_100000741374 [0,1,0,0,0,0|3,0,0]=4 4377 B16R1.7596 CCOCCSCC(=O)c1ccccc1C 62a_100000741374_100011215890 [0,1,0,0,0,0|3,0,0]=4 4378 B16R1.7596 CCOCCSCC(=O)c1ccccc1Cl 62a_100000210147_100000211432 [0,1,0,0,0,0|3,0,0]=4 4379 B16R1.7596 CCOCCSCC(=O)c1ccccc1Cl 62a_100000211432_100011215890 [0,1,0,0,0,0|3,0,0]=4 4380 B16R1.7596 CCOCCSCC(=O)c1ccccc1F 62a_100000204681_100011215890 [0,1,0,0,0,0|3,0,0]=4 4381 B16R1.7596 CCOCCSCC(=O)c1ccccc1F 62a_100000210147_100000204681 [0,1,0,0,0,0|3,0,0]=4 4382 B16R1.7596 CCOCCSCC(=O)c1ccccc1O 62a_100000188908_100011215890 [0,1,0,0,0,0|3,0,0]=4 4383 B16R1.7596 CCOCCSCC(=O)c1ccccc1O 62a_100000210147_100000188908 [0,1,0,0,0,0|3,0,0]=4 4384 B16R1.7596 CCOCSCCC(=O)c1ccccc1F 62a_100000086012_100000739092 [0,1,0,0,0,0|3,0,0]=4 4385 B16R1.7596 CCOCSCCC(=O)c1ccccc1F 62a_100000739092_100000086012 [0,1,0,0,0,0|3,0,0]=4 4386 B16R1.7596 CCOCSCCC(=O)c1ccccc1O 62a_100000739092_100009873196 [0,1,0,0,0,0|3,0,0]=4 4387 B16R1.7596 CCSCCCOC(C)c1ccccc1Cl 7a_100011216438_100000181259 [0,1,0,0,0,0|2,0,1]=4 4388 B16R1.7596 CCSCCCOC(C)c1ccccc1F 34a_100011216438_200000741388 [0,1,0,0,0,0|2,0,1]=4 4389 B16R1.7596 CCSCCCOC(C)c1ccccc1F 7a_100011216438_200000741388 [0,1,0,0,0,0|2,0,1]=4 4390 B16R1.7596 CCSCCNCC(=O)c1ccccc1C 2230a_100000106463_100000741374 [0,1,0,0,0,0|3,0,0]=4 4391 B16R1.7596 CCSCCOCC(=O)c1ccccc1Br 34a_100000212035_100000199116 [0,1,0,0,0,0|3,0,0]=4 4392 B16R1.7596 CCSCCOCC(=O)c1ccccc1C 34a_100000212035_100000741374 [0,1,0,0,0,0|3,0,0]=4 4393 B16R1.7596 CCSCCOCC(=O)c1ccccc1C 7a_100000212035_100000741374 [0,1,0,0,0,0|3,0,0]=4 4394 B16R1.7596 CCSCCOCC(=O)c1ccccc1Cl 34a_100000212035_100000211432 [0,1,0,0,0,0|3,0,0]=4 4395 B16R1.7596 CCSCCOCC(=O)c1ccccc1F 34a_100000212035_100000204681 [0,1,0,0,0,0|3,0,0]=4 4396 B16R1.7596 CCSCCOCC(=O)c1ccccc1F 7a_100000212035_100000204681 [0,1,0,0,0,0|3,0,0]=4 4397 B16R1.7596 CCSCCOCC(=O)c1ccccc1O 7a_100000212035_100000188908 [0,1,0,0,0,0|3,0,0]=4 4398 B16R1.7596 CCSCCSCC(=O)c1ccccc1Br 62a_100000199116_100000757381 [0,1,0,0,0,0|3,0,0]=4 4399 B16R1.7596 CCSCCSCC(=O)c1ccccc1C 62a_100000741374_100000757381 [0,1,0,0,0,0|3,0,0]=4 4400 B16R1.7596 CCSCCSCC(=O)c1ccccc1C 62a_100000757381_100000741374 [0,1,0,0,0,0|3,0,0]=4 4401 B16R1.7596 CCSCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000757381 [0,1,0,0,0,0|3,0,0]=4 4402 B16R1.7596 CCSCCSCC(=O)c1ccccc1Cl 62a_100000757381_100000211432 [0,1,0,0,0,0|3,0,0]=4 4403 B16R1.7596 CCSCCSCC(=O)c1ccccc1F 62a_100000204681_100000757381 [0,1,0,0,0,0|3,0,0]=4 4404 B16R1.7596 CCSCCSCC(=O)c1ccccc1F 62a_100000757381_100000204681 [0,1,0,0,0,0|3,0,0]=4 4405 B16R1.7596 CCSCCSCC(=O)c1ccccc1O 62a_100000188908_100000757381 [0,1,0,0,0,0|3,0,0]=4 4406 B16R1.7596 CCSCCSCC(=O)c1ccccc1O 62a_100000757381_100000188908 [0,1,0,0,0,0|3,0,0]=4 4407 B16R1.7596 CNCCCOCC(=O)c1ccccc1Br 34a_100000213112_100000199116 [0,1,0,0,0,0|3,0,0]=4 4408 B16R1.7596 CNCCCOCC(=O)c1ccccc1C 34a_100000213112_100000741374 [0,1,0,0,0,0|3,0,0]=4 4409 B16R1.7596 CNCCCOCC(=O)c1ccccc1Cl 34a_100000213112_100000211432 [0,1,0,0,0,0|3,0,0]=4 4410 B16R1.7596 CNCCCOCC(=O)c1ccccc1F 34a_100000213112_100000204681 [0,1,0,0,0,0|3,0,0]=4 4411 B16R1.7596 COCCCCOC(C)c1ccccc1Br 34a_100000702211_100000755781 [0,1,0,0,0,0|2,0,1]=4 4412 B16R1.7596 COCCCCOC(C)c1ccccc1Br 7a_100000702211_100000730899 [0,1,0,0,0,0|2,0,1]=4 4413 B16R1.7596 COCCCCOC(C)c1ccccc1C 34a_100000742021_100000755781 [0,1,0,0,0,0|2,0,1]=4 4414 B16R1.7596 COCCCCOC(C)c1ccccc1C 7a_100000742021_100000730899 [0,1,0,0,0,0|2,0,1]=4 4415 B16R1.7596 COCCCCOC(C)c1ccccc1Cl 34a_100000740796_100000755781 [0,1,0,0,0,0|2,0,1]=4 4416 B16R1.7596 COCCCCOC(C)c1ccccc1Cl 7a_100000740796_100000730899 [0,1,0,0,0,0|2,0,1]=4 4417 B16R1.7596 COCCCCOC(C)c1ccccc1F 34a_100000697922_100000755781 [0,1,0,0,0,0|2,0,1]=4 4418 B16R1.7596 COCCCCOC(C)c1ccccc1F 34a_100000740925_200000741388 [0,1,0,0,0,0|2,0,1]=4 4419 B16R1.7596 COCCCCOC(C)c1ccccc1F 7a_100000697922_100000730899 [0,1,0,0,0,0|2,0,1]=4 4420 B16R1.7596 COCCCCOC(C)c1ccccc1N 7a_100011405641_100000730899 [0,1,0,0,0,0|2,0,1]=4 4421 B16R1.7596 COCCCNCC(=O)c1ccccc1Br 34a_100150723488_100000199116 [0,1,0,0,0,0|3,0,0]=4 4422 B16R1.7596 COCCCNCC(=O)c1ccccc1C 34a_100150723488_100000741374 [0,1,0,0,0,0|3,0,0]=4 4423 B16R1.7596 COCCCNCC(=O)c1ccccc1Cl 34a_100150723488_100000211432 [0,1,0,0,0,0|3,0,0]=4 4424 B16R1.7596 COCCCNCC(=O)c1ccccc1F 34a_100150723488_100000204681 [0,1,0,0,0,0|3,0,0]=4 4425 B16R1.7596 COCCCNNC(=O)c1ccccc1Br 22a_100025702787_100000188424 [0,1,0,0,0,0|3,0,0]=4 4426 B16R1.7596 COCCCNNC(=O)c1ccccc1C 22a_100025702787_100000212026 [0,1,0,0,0,0|3,0,0]=4 4427 B16R1.7596 COCCCNNC(=O)c1ccccc1Cl 22a_100025702787_100000185844 [0,1,0,0,0,0|3,0,0]=4 4428 B16R1.7596 COCCCNNC(=O)c1ccccc1F 22a_100025702787_100000188656 [0,1,0,0,0,0|3,0,0]=4 4429 B16R1.7596 COCCCNNC(=O)c1ccccc1I 22a_100025702787_100000187884 [0,1,0,0,0,0|3,0,0]=4 4430 B16R1.7596 COCCCNNC(=O)c1ccccc1O 22a_100025702787_100015234032 [0,1,0,0,0,0|3,0,0]=4 4431 B16R1.7596 COCCCNNC(=O)c1ccccc1[O-] 22a_100025702787_100009911694 [0,1,0,0,0,0|3,0,0]=4 4432 B16R1.7596 COCCCOCC(=O)c1ccccc1Br 34a_100000740835_100000199116 [0,1,0,0,0,0|3,0,0]=4 4433 B16R1.7596 COCCCOCC(=O)c1ccccc1C 34a_100000740835_100000741374 [0,1,0,0,0,0|3,0,0]=4 4434 B16R1.7596 COCCCOCC(=O)c1ccccc1Cl 34a_100000740835_100000211432 [0,1,0,0,0,0|3,0,0]=4 4435 B16R1.7596 COCCCOCC(=O)c1ccccc1F 34a_100000740835_100000204681 [0,1,0,0,0,0|3,0,0]=4 4436 B16R1.7596 COCCCSCC(=O)c1ccccc1Br 62a_100000199116_100000709357 [0,1,0,0,0,0|3,0,0]=4 4437 B16R1.7596 COCCCSCC(=O)c1ccccc1C 62a_100000709357_100000741374 [0,1,0,0,0,0|3,0,0]=4 4438 B16R1.7596 COCCCSCC(=O)c1ccccc1C 62a_100000741374_100000709357 [0,1,0,0,0,0|3,0,0]=4 4439 B16R1.7596 COCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000709357 [0,1,0,0,0,0|3,0,0]=4 4440 B16R1.7596 COCCCSCC(=O)c1ccccc1Cl 62a_100000709357_100000211432 [0,1,0,0,0,0|3,0,0]=4 4441 B16R1.7596 COCCCSCC(=O)c1ccccc1F 62a_100000204681_100000709357 [0,1,0,0,0,0|3,0,0]=4 4442 B16R1.7596 COCCCSCC(=O)c1ccccc1F 62a_100000709357_100000204681 [0,1,0,0,0,0|3,0,0]=4 4443 B16R1.7596 COCCCSCC(=O)c1ccccc1O 62a_100000188908_100000709357 [0,1,0,0,0,0|3,0,0]=4 4444 B16R1.7596 COCCCSCC(=O)c1ccccc1O 62a_100000709357_100000188908 [0,1,0,0,0,0|3,0,0]=4 4445 B16R1.7596 COCCNCCC(=O)c1ccccc1F 2230a_100000209980_100000086012 [0,1,0,0,0,0|3,0,0]=4 4446 B16R1.7596 COCCOCCC(=O)c1ccccc1Br 1458a_100000188424_100000695917 [0,1,0,0,0,0|3,0,0]=4 4447 B16R1.7596 COCCOCCC(=O)c1ccccc1C 1458a_100000212026_100000695917 [0,1,0,0,0,0|3,0,0]=4 4448 B16R1.7596 COCCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100000695917 [0,1,0,0,0,0|3,0,0]=4 4449 B16R1.7596 COCCOCCC(=O)c1ccccc1F 1458a_100000188656_100000695917 [0,1,0,0,0,0|3,0,0]=4 4450 B16R1.7596 COCCOCCC(=O)c1ccccc1I 1458a_100000187884_100000695917 [0,1,0,0,0,0|3,0,0]=4 4451 B16R1.7596 COCCOCCC(=O)c1ccccc1O 1458a_100015234032_100000695917 [0,1,0,0,0,0|3,0,0]=4 4452 B16R1.7596 COCCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000695917 [0,1,0,0,0,0|3,0,0]=4 4453 B16R1.7596 COCCSCCC(=O)c1ccccc1F 62a_100000086012_100000233755 [0,1,0,0,0,0|3,0,0]=4 4454 B16R1.7596 COCCSCCC(=O)c1ccccc1F 62a_100000233755_100000086012 [0,1,0,0,0,0|3,0,0]=4 4455 B16R1.7596 COCCSCCC(=O)c1ccccc1O 62a_100000233755_100009873196 [0,1,0,0,0,0|3,0,0]=4 4456 B16R1.7596 COCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000766300 [0,1,0,0,0,0|3,0,0]=4 4457 B16R1.7596 CSCCCCOC(C)c1ccccc1Cl 7a_100011217163_100000181259 [0,1,0,0,0,0|2,0,1]=4 4458 B16R1.7596 CSCCCCOC(C)c1ccccc1F 34a_100011217163_200000741388 [0,1,0,0,0,0|2,0,1]=4 4459 B16R1.7596 CSCCCCOC(C)c1ccccc1F 7a_100011217163_200000741388 [0,1,0,0,0,0|2,0,1]=4 4460 B16R1.7596 CSCCCNCC(=O)c1ccccc1C 2230a_100000749238_100000741374 [0,1,0,0,0,0|3,0,0]=4 4461 B16R1.7596 CSCCCOCC(=O)c1ccccc1Br 34a_100000690336_100000199116 [0,1,0,0,0,0|3,0,0]=4 4462 B16R1.7596 CSCCCOCC(=O)c1ccccc1C 34a_100000690336_100000741374 [0,1,0,0,0,0|3,0,0]=4 4463 B16R1.7596 CSCCCOCC(=O)c1ccccc1C 7a_100000690336_100000741374 [0,1,0,0,0,0|3,0,0]=4 4464 B16R1.7596 CSCCCOCC(=O)c1ccccc1Cl 34a_100000690336_100000211432 [0,1,0,0,0,0|3,0,0]=4 4465 B16R1.7596 CSCCCOCC(=O)c1ccccc1F 34a_100000690336_100000204681 [0,1,0,0,0,0|3,0,0]=4 4466 B16R1.7596 CSCCCOCC(=O)c1ccccc1F 7a_100000690336_100000204681 [0,1,0,0,0,0|3,0,0]=4 4467 B16R1.7596 CSCCCOCC(=O)c1ccccc1O 7a_100000690336_100000188908 [0,1,0,0,0,0|3,0,0]=4 4468 B16R1.7596 CSCCNCCC(=O)c1ccccc1F 2230a_100020590264_100000086012 [0,1,0,0,0,0|3,0,0]=4 4469 B16R1.7596 CSCCOCCC(=O)c1ccccc1F 7a_100000230434_100000086012 [0,1,0,0,0,0|3,0,0]=4 4470 B16R1.7596 CSCCOCCC(=O)c1ccccc1O 7a_100000230434_100009873196 [0,1,0,0,0,0|3,0,0]=4 4471 B16R1.7596 CSCCSCCC(=O)c1ccccc1F 62a_100000086012_100000751147 [0,1,0,0,0,0|3,0,0]=4 4472 B16R1.7596 CSCCSCCC(=O)c1ccccc1F 62a_100000212216_100000086012 [0,1,0,0,0,0|3,0,0]=4 4473 B16R1.7596 CSCCSCCC(=O)c1ccccc1O 62a_100000212216_100009873196 [0,1,0,0,0,0|3,0,0]=4 4474 B16R1.7596 CSCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100011218213 [0,1,0,0,0,0|3,0,0]=4 4475 B16R1.7596 CSCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100011218213 [0,1,0,0,0,0|3,0,0]=4 4476 B16R1.7596 CSCOCCNC(=O)c1ccccc1Br 34a_200000158863_100011218213 [0,1,0,0,0,0|3,0,0]=4 4477 B16R1.7596 Cc1ccccc1C(=O)CCCCCC#N 1458a_100000212026_100009813376 [0,1,0,0,0,0|2,0,1]=4 4478 B16R1.7596 Cc1ccccc1C(=O)CCCCCCF 1458a_100000212026_100015922095 [0,1,0,0,0,0|2,0,0]=3 4479 B16R1.7596 Cc1ccccc1C(=O)CCCCCCO 1458a_100000212026_100000766143 [0,1,0,0,0,0|2,0,0]=3 4480 B16R1.7596 Cc1ccccc1C(=O)CNCCCCO 2230a_100000750430_100000741374 [0,1,0,0,0,0|3,0,0]=4 4481 B16R1.7596 Cc1ccccc1C(=O)CNCCCCO 34a_100000750430_100000741374 [0,1,0,0,0,0|3,0,0]=4 4482 B16R1.7596 Cc1ccccc1C(=O)COCCCCBr 34a_100011216708_100000741374 [0,1,0,0,0,0|3,0,0]=4 4483 B16R1.7596 Cc1ccccc1C(=O)COCCCCCl 34a_100000210776_100000741374 [0,1,0,0,0,0|3,0,0]=4 4484 B16R1.7596 Cc1ccccc1C(=O)COCCCCCl 7a_100000210776_100000741374 [0,1,0,0,0,0|3,0,0]=4 4485 B16R1.7596 Cc1ccccc1C(=O)COCCCCF 34a_100011995726_100000741374 [0,1,0,0,0,0|3,0,0]=4 4486 B16R1.7596 Cc1ccccc1C(=O)COCCCCF 7a_100011995726_100000741374 [0,1,0,0,0,0|3,0,0]=4 4487 B16R1.7596 Cc1ccccc1C(=O)COCCCCI 34a_200012148704_100000741374 [0,1,0,0,0,0|3,0,0]=4 4488 B16R1.7596 Cc1ccccc1C(=O)COCCCCN 34a_100000750430_100000741374 [0,1,0,0,0,0|3,0,0]=4 4489 B16R1.7596 Cc1ccccc1C(=O)CSCCCCF 62a_100000729493_100000741374 [0,1,0,0,0,0|3,0,0]=4 4490 B16R1.7596 Cc1ccccc1C(=O)CSCCCCF 62a_100000741374_100000729493 [0,1,0,0,0,0|3,0,0]=4 4491 B16R1.7596 Cc1ccccc1C(=O)CSCCCCO 62a_100000210776_100000741374 [0,1,0,0,0,0|3,0,0]=4 4492 B16R1.7596 Cc1ccccc1C(=O)CSCCCCO 62a_100000741374_100000210776 [0,1,0,0,0,0|3,0,0]=4 4493 B16R1.7596 Cc1ccccc1C(=O)NCCCCC#N 11a_100000751965_100000212026 [0,1,0,0,0,0|2,0,1]=4 4494 B16R1.7596 Cc1ccccc1C(=O)NCCCCC#N 1626a_100000751965_100000212026 [0,1,0,0,0,0|2,0,1]=4 4495 B16R1.7596 Cc1ccccc1C(=O)NCCCCC#N 240690a_100000751965_100000212026 [0,1,0,0,0,0|2,0,1]=4 4496 B16R1.7596 Cc1ccccc1C(=O)NCCCCC#N 527a_100000751965_100000212026 [0,1,0,0,0,0|2,0,1]=4 4497 B16R1.7596 Cc1ccccc1C(=O)NCCCCCO 240690a_100000762737_100000212026 [0,1,0,0,0,0|2,0,0]=3 4498 B16R1.7596 Cc1ccccc1C(=O)NCCOCCO 240690a_100000211614_100000212026 [0,1,0,0,0,0|3,0,0]=4 4499 B16R1.7596 Cc1ccccc1C(=O)NCCSCCO 240690a_100011219999_100000212026 [0,1,0,0,0,0|3,0,0]=4 4500 B16R1.7596 Cc1ccccc1C(=O)NCCSCCO 527a_100011219999_100000212026 [0,1,0,0,0,0|3,0,0]=4 4501 B16R1.7596 Cc1ccccc1C(C)OCCCCCF 34a_100000742021_100000729378 [0,1,0,0,0,0|2,0,1]=4 4502 B16R1.7596 Cc1ccccc1C(C)OCCCCCF 7a_100000742021_100000729378 [0,1,0,0,0,0|2,0,1]=4 4503 B16R1.7596 Cc1ccccc1C(C)OCCCCCO 34a_100000742021_100000746330 [0,1,0,0,0,0|2,0,1]=4 4504 B16R1.7596 Cc1ccccc1C(C)OCCCCCO 7a_100000742021_100000746330 [0,1,0,0,0,0|2,0,1]=4 4505 B16R1.7596 N#CCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100009813376 [0,1,0,0,0,0|2,0,1]=4 4506 B16R1.7596 N#CCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100009813376 [0,1,0,0,0,0|2,0,1]=4 4507 B16R1.7596 N#CCCCCCC(=O)c1ccccc1F 1458a_100000188656_100009813376 [0,1,0,0,0,0|2,0,1]=4 4508 B16R1.7596 N#CCCCCCC(=O)c1ccccc1I 1458a_100000187884_100009813376 [0,1,0,0,0,0|2,0,1]=4 4509 B16R1.7596 N#CCCCCCC(=O)c1ccccc1O 1458a_100015234032_100009813376 [0,1,0,0,0,0|2,0,1]=4 4510 B16R1.7596 N#CCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100009813376 [0,1,0,0,0,0|2,0,1]=4 4511 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Br 11a_100000751965_100000188424 [0,1,0,0,0,0|2,0,1]=4 4512 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Br 1626a_100000751965_100000188424 [0,1,0,0,0,0|2,0,1]=4 4513 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Br 240690a_100000751965_100000188424 [0,1,0,0,0,0|2,0,1]=4 4514 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Br 527a_100000751965_100000188424 [0,1,0,0,0,0|2,0,1]=4 4515 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Cl 11a_100000751965_100000185844 [0,1,0,0,0,0|2,0,1]=4 4516 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Cl 1626a_100000751965_100000185844 [0,1,0,0,0,0|2,0,1]=4 4517 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Cl 240690a_100000751965_100000185844 [0,1,0,0,0,0|2,0,1]=4 4518 B16R1.7596 N#CCCCCNC(=O)c1ccccc1Cl 527a_100000751965_100000185844 [0,1,0,0,0,0|2,0,1]=4 4519 B16R1.7596 N#CCCCCNC(=O)c1ccccc1F 11a_100000751965_100000188656 [0,1,0,0,0,0|2,0,1]=4 4520 B16R1.7596 N#CCCCCNC(=O)c1ccccc1F 1626a_100000751965_100000188656 [0,1,0,0,0,0|2,0,1]=4 4521 B16R1.7596 N#CCCCCNC(=O)c1ccccc1F 240690a_100000751965_100000188656 [0,1,0,0,0,0|2,0,1]=4 4522 B16R1.7596 N#CCCCCNC(=O)c1ccccc1F 527a_100000751965_100000188656 [0,1,0,0,0,0|2,0,1]=4 4523 B16R1.7596 N#CCCCCNC(=O)c1ccccc1I 11a_100000751965_100000187884 [0,1,0,0,0,0|2,0,1]=4 4524 B16R1.7596 N#CCCCCNC(=O)c1ccccc1I 1626a_100000751965_100000187884 [0,1,0,0,0,0|2,0,1]=4 4525 B16R1.7596 N#CCCCCNC(=O)c1ccccc1I 240690a_100000751965_100000187884 [0,1,0,0,0,0|2,0,1]=4 4526 B16R1.7596 N#CCCCCNC(=O)c1ccccc1I 527a_100000751965_100000187884 [0,1,0,0,0,0|2,0,1]=4 4527 B16R1.7596 N#CCCCCNC(=O)c1ccccc1O 240690a_100000751965_100015234032 [0,1,0,0,0,0|2,0,1]=4 4528 B16R1.7596 N#CCCCCNC(=O)c1ccccc1[O-] 1626a_100000751965_100009911694 [0,1,0,0,0,0|2,0,1]=4 4529 B16R1.7596 N#CCCCCNC(=O)c1ccccc1[O-] 240690a_100000751965_100009911694 [0,1,0,0,0,0|2,0,1]=4 4530 B16R1.7596 N#CCCCCNC(=O)c1ccccc1[O-] 527a_100000751965_100009911694 [0,1,0,0,0,0|2,0,1]=4 4531 B16R1.7596 NCCCCOCC(=O)c1ccccc1Br 34a_100000750430_100000199116 [0,1,0,0,0,0|3,0,0]=4 4532 B16R1.7596 NCCCCOCC(=O)c1ccccc1Cl 34a_100000750430_100000211432 [0,1,0,0,0,0|3,0,0]=4 4533 B16R1.7596 NCCCCOCC(=O)c1ccccc1F 34a_100000750430_100000204681 [0,1,0,0,0,0|3,0,0]=4 4534 B16R1.7596 Nc1ccccc1C(=O)NCCCOCF 34a_200011191992_100015361967 [0,1,0,0,0,0|3,0,0]=4 4535 B16R1.7596 O=C(CCCCCCF)c1ccccc1Br 1458a_100000188424_100015922095 [0,1,0,0,0,0|2,0,0]=3 4536 B16R1.7596 O=C(CCCCCCF)c1ccccc1Cl 1458a_100000185844_100015922095 [0,1,0,0,0,0|2,0,0]=3 4537 B16R1.7596 O=C(CCCCCCF)c1ccccc1F 1458a_100000188656_100015922095 [0,1,0,0,0,0|2,0,0]=3 4538 B16R1.7596 O=C(CCCCCCF)c1ccccc1I 1458a_100000187884_100015922095 [0,1,0,0,0,0|2,0,0]=3 4539 B16R1.7596 O=C(CCCCCCF)c1ccccc1O 1458a_100015234032_100015922095 [0,1,0,0,0,0|2,0,0]=3 4540 B16R1.7596 O=C(CCCCCCF)c1ccccc1[O-] 1458a_100009911694_100015922095 [0,1,0,0,0,0|2,0,0]=3 4541 B16R1.7596 O=C(CCCCCCO)c1ccccc1Br 1458a_100000188424_100000766143 [0,1,0,0,0,0|2,0,0]=3 4542 B16R1.7596 O=C(CCCCCCO)c1ccccc1Cl 1458a_100000185844_100000766143 [0,1,0,0,0,0|2,0,0]=3 4543 B16R1.7596 O=C(CCCCCCO)c1ccccc1F 1458a_100000188656_100000766143 [0,1,0,0,0,0|2,0,0]=3 4544 B16R1.7596 O=C(CCCCCCO)c1ccccc1I 1458a_100000187884_100000766143 [0,1,0,0,0,0|2,0,0]=3 4545 B16R1.7596 O=C(CCCCCCO)c1ccccc1O 1458a_100015234032_100000766143 [0,1,0,0,0,0|2,0,0]=3 4546 B16R1.7596 O=C(CCCCCCO)c1ccccc1[O-] 1458a_100009911694_100000766143 [0,1,0,0,0,0|2,0,0]=3 4547 B16R1.7596 O=C(CCNCCCF)c1ccccc1F 2230a_100015189416_100000086012 [0,1,0,0,0,0|3,0,0]=4 4548 B16R1.7596 O=C(CCSCCCF)c1ccccc1F 62a_100000086012_100011934791 [0,1,0,0,0,0|3,0,0]=4 4549 B16R1.7596 O=C(CCSCCCF)c1ccccc1F 62a_100011934791_100000086012 [0,1,0,0,0,0|3,0,0]=4 4550 B16R1.7596 O=C(CCSCCCF)c1ccccc1O 62a_100011934791_100009873196 [0,1,0,0,0,0|3,0,0]=4 4551 B16R1.7596 O=C(CCSCCCO)c1ccccc1F 62a_100000086012_100011215043 [0,1,0,0,0,0|3,0,0]=4 4552 B16R1.7596 O=C(CCSCCCO)c1ccccc1F 62a_100011215043_100000086012 [0,1,0,0,0,0|3,0,0]=4 4553 B16R1.7596 O=C(CCSCCCO)c1ccccc1O 62a_100011215043_100009873196 [0,1,0,0,0,0|3,0,0]=4 4554 B16R1.7596 O=C(CNCCCCO)c1ccccc1Br 34a_100000750430_100000199116 [0,1,0,0,0,0|3,0,0]=4 4555 B16R1.7596 O=C(CNCCCCO)c1ccccc1Cl 34a_100000750430_100000211432 [0,1,0,0,0,0|3,0,0]=4 4556 B16R1.7596 O=C(CNCCCCO)c1ccccc1F 34a_100000750430_100000204681 [0,1,0,0,0,0|3,0,0]=4 4557 B16R1.7596 O=C(COCCCCBr)c1ccccc1Br 34a_100011216708_100000199116 [0,1,0,0,0,0|3,0,0]=4 4558 B16R1.7596 O=C(COCCCCBr)c1ccccc1Cl 34a_100011216708_100000211432 [0,1,0,0,0,0|3,0,0]=4 4559 B16R1.7596 O=C(COCCCCBr)c1ccccc1F 34a_100011216708_100000204681 [0,1,0,0,0,0|3,0,0]=4 4560 B16R1.7596 O=C(COCCCCCl)c1ccccc1Br 34a_100000210776_100000199116 [0,1,0,0,0,0|3,0,0]=4 4561 B16R1.7596 O=C(COCCCCCl)c1ccccc1Cl 34a_100000210776_100000211432 [0,1,0,0,0,0|3,0,0]=4 4562 B16R1.7596 O=C(COCCCCCl)c1ccccc1F 34a_100000210776_100000204681 [0,1,0,0,0,0|3,0,0]=4 4563 B16R1.7596 O=C(COCCCCCl)c1ccccc1F 7a_100000210776_100000204681 [0,1,0,0,0,0|3,0,0]=4 4564 B16R1.7596 O=C(COCCCCCl)c1ccccc1O 7a_100000210776_100000188908 [0,1,0,0,0,0|3,0,0]=4 4565 B16R1.7596 O=C(COCCCCF)c1ccccc1Br 34a_100011995726_100000199116 [0,1,0,0,0,0|3,0,0]=4 4566 B16R1.7596 O=C(COCCCCF)c1ccccc1Cl 34a_100011995726_100000211432 [0,1,0,0,0,0|3,0,0]=4 4567 B16R1.7596 O=C(COCCCCF)c1ccccc1F 34a_100011995726_100000204681 [0,1,0,0,0,0|3,0,0]=4 4568 B16R1.7596 O=C(COCCCCF)c1ccccc1F 7a_100011995726_100000204681 [0,1,0,0,0,0|3,0,0]=4 4569 B16R1.7596 O=C(COCCCCF)c1ccccc1O 7a_100011995726_100000188908 [0,1,0,0,0,0|3,0,0]=4 4570 B16R1.7596 O=C(COCCCCI)c1ccccc1Br 34a_200012148704_100000199116 [0,1,0,0,0,0|3,0,0]=4 4571 B16R1.7596 O=C(COCCCCI)c1ccccc1Cl 34a_200012148704_100000211432 [0,1,0,0,0,0|3,0,0]=4 4572 B16R1.7596 O=C(COCCCCI)c1ccccc1F 34a_200012148704_100000204681 [0,1,0,0,0,0|3,0,0]=4 4573 B16R1.7596 O=C(CSCCCCF)c1ccccc1Br 62a_100000199116_100000729493 [0,1,0,0,0,0|3,0,0]=4 4574 B16R1.7596 O=C(CSCCCCF)c1ccccc1Cl 62a_100000211432_100000729493 [0,1,0,0,0,0|3,0,0]=4 4575 B16R1.7596 O=C(CSCCCCF)c1ccccc1Cl 62a_100000729493_100000211432 [0,1,0,0,0,0|3,0,0]=4 4576 B16R1.7596 O=C(CSCCCCF)c1ccccc1F 62a_100000204681_100000729493 [0,1,0,0,0,0|3,0,0]=4 4577 B16R1.7596 O=C(CSCCCCF)c1ccccc1F 62a_100000729493_100000204681 [0,1,0,0,0,0|3,0,0]=4 4578 B16R1.7596 O=C(CSCCCCF)c1ccccc1O 62a_100000188908_100000729493 [0,1,0,0,0,0|3,0,0]=4 4579 B16R1.7596 O=C(CSCCCCF)c1ccccc1O 62a_100000729493_100000188908 [0,1,0,0,0,0|3,0,0]=4 4580 B16R1.7596 O=C(CSCCCCO)c1ccccc1Br 62a_100000199116_100000210776 [0,1,0,0,0,0|3,0,0]=4 4581 B16R1.7596 O=C(CSCCCCO)c1ccccc1Cl 62a_100000210776_100000211432 [0,1,0,0,0,0|3,0,0]=4 4582 B16R1.7596 O=C(CSCCCCO)c1ccccc1Cl 62a_100000211432_100000210776 [0,1,0,0,0,0|3,0,0]=4 4583 B16R1.7596 O=C(CSCCCCO)c1ccccc1F 62a_100000204681_100000210776 [0,1,0,0,0,0|3,0,0]=4 4584 B16R1.7596 O=C(CSCCCCO)c1ccccc1F 62a_100000210776_100000204681 [0,1,0,0,0,0|3,0,0]=4 4585 B16R1.7596 O=C(CSCCCCO)c1ccccc1O 62a_100000188908_100000210776 [0,1,0,0,0,0|3,0,0]=4 4586 B16R1.7596 O=C(CSCCCCO)c1ccccc1O 62a_100000210776_100000188908 [0,1,0,0,0,0|3,0,0]=4 4587 B16R1.7596 O=C(NCCCCCO)c1ccccc1Br 240690a_100000762737_100000188424 [0,1,0,0,0,0|2,0,0]=3 4588 B16R1.7596 O=C(NCCCCCO)c1ccccc1Cl 240690a_100000762737_100000185844 [0,1,0,0,0,0|2,0,0]=3 4589 B16R1.7596 O=C(NCCCCCO)c1ccccc1F 240690a_100000762737_100000188656 [0,1,0,0,0,0|2,0,0]=3 4590 B16R1.7596 O=C(NCCCCCO)c1ccccc1I 240690a_100000762737_100000187884 [0,1,0,0,0,0|2,0,0]=3 4591 B16R1.7596 O=C(NCCCCCO)c1ccccc1O 240690a_100000762737_100015234032 [0,1,0,0,0,0|2,0,0]=3 4592 B16R1.7596 O=C(NCCCCCO)c1ccccc1[O-] 240690a_100000762737_100009911694 [0,1,0,0,0,0|2,0,0]=3 4593 B16R1.7596 O=C(NCCNCCF)c1ccccc1Cl 2230a_100000737833_100011217306 [0,1,0,0,0,0|3,0,0]=4 4594 B16R1.7596 O=C(NCCNCCF)c1ccccc1Cl 34a_100000737833_100011217306 [0,1,0,0,0,0|3,0,0]=4 4595 B16R1.7596 O=C(NCCNCCO)c1ccccc1Cl 2230a_100000737833_100000211926 [0,1,0,0,0,0|3,0,0]=4 4596 B16R1.7596 O=C(NCCNCCO)c1ccccc1Cl 34a_100000737833_100000211926 [0,1,0,0,0,0|3,0,0]=4 4597 B16R1.7596 O=C(NCCOCCF)c1ccccc1Br 34a_200000158863_100011217306 [0,1,0,0,0,0|3,0,0]=4 4598 B16R1.7596 O=C(NCCOCCF)c1ccccc1Br 7a_200000158863_100011217306 [0,1,0,0,0,0|3,0,0]=4 4599 B16R1.7596 O=C(NCCOCCO)c1ccccc1Br 240690a_100000211614_100000188424 [0,1,0,0,0,0|3,0,0]=4 4600 B16R1.7596 O=C(NCCOCCO)c1ccccc1Br 34a_200000158863_100000211926 [0,1,0,0,0,0|3,0,0]=4 4601 B16R1.7596 O=C(NCCOCCO)c1ccccc1Br 7a_200000158863_100000211926 [0,1,0,0,0,0|3,0,0]=4 4602 B16R1.7596 O=C(NCCOCCO)c1ccccc1Cl 240690a_100000211614_100000185844 [0,1,0,0,0,0|3,0,0]=4 4603 B16R1.7596 O=C(NCCOCCO)c1ccccc1F 240690a_100000211614_100000188656 [0,1,0,0,0,0|3,0,0]=4 4604 B16R1.7596 O=C(NCCOCCO)c1ccccc1I 240690a_100000211614_100000187884 [0,1,0,0,0,0|3,0,0]=4 4605 B16R1.7596 O=C(NCCOCCO)c1ccccc1O 240690a_100000211614_100015234032 [0,1,0,0,0,0|3,0,0]=4 4606 B16R1.7596 O=C(NCCOCCO)c1ccccc1[O-] 240690a_100000211614_100009911694 [0,1,0,0,0,0|3,0,0]=4 4607 B16R1.7596 O=C(NCCSCCO)c1ccccc1Br 240690a_100011219999_100000188424 [0,1,0,0,0,0|3,0,0]=4 4608 B16R1.7596 O=C(NCCSCCO)c1ccccc1Br 527a_100011219999_100000188424 [0,1,0,0,0,0|3,0,0]=4 4609 B16R1.7596 O=C(NCCSCCO)c1ccccc1Cl 240690a_100011219999_100000185844 [0,1,0,0,0,0|3,0,0]=4 4610 B16R1.7596 O=C(NCCSCCO)c1ccccc1Cl 527a_100011219999_100000185844 [0,1,0,0,0,0|3,0,0]=4 4611 B16R1.7596 O=C(NCCSCCO)c1ccccc1F 240690a_100011219999_100000188656 [0,1,0,0,0,0|3,0,0]=4 4612 B16R1.7596 O=C(NCCSCCO)c1ccccc1F 527a_100011219999_100000188656 [0,1,0,0,0,0|3,0,0]=4 4613 B16R1.7596 O=C(NCCSCCO)c1ccccc1I 240690a_100011219999_100000187884 [0,1,0,0,0,0|3,0,0]=4 4614 B16R1.7596 O=C(NCCSCCO)c1ccccc1I 527a_100011219999_100000187884 [0,1,0,0,0,0|3,0,0]=4 4615 B16R1.7596 O=C(NCCSCCO)c1ccccc1O 240690a_100011219999_100015234032 [0,1,0,0,0,0|3,0,0]=4 4616 B16R1.7596 O=C(NCCSCCO)c1ccccc1[O-] 240690a_100011219999_100009911694 [0,1,0,0,0,0|3,0,0]=4 4617 B16R1.7596 O=C(NCCSCCO)c1ccccc1[O-] 527a_100011219999_100009911694 [0,1,0,0,0,0|3,0,0]=4 4618 B16R2.88 CC(NC1CCCCC1)c2ccccc2 2230a_100000182618_100000230085 [0,0,0,1,0,0|2,0,1]=4 4619 B16R2.88 CC(NC1CCCCC1)c2ccccc2 269862a_100000182618_100000185851 [0,0,0,1,0,0|2,0,1]=4 4620 B16R2.88 CC(NC1CCCCC1)c2ccccc2 34a_100000182618_100000211855 [0,0,0,1,0,0|2,0,1]=4 4621 B16R2.88 CC(OC1CCCCC1)c2ccccc2 34a_100000210231_100000211855 [0,0,0,1,0,0|1,0,1]=3 4622 B16R2.88 CC(OC1CCCCC1)c2ccccc2 7a_100000210231_100000230085 [0,0,0,1,0,0|1,0,1]=3 4623 B16R2.88 CC(OC1CCCCO1)c2ccccc2 34a_100000033831_100000211855 [0,0,0,1,0,0|2,0,1]=4 4624 B16R2.88 CC(OC1CCCOC1)c2ccccc2 34a_100000754041_100000211855 [0,0,0,1,0,0|2,0,1]=4 4625 B16R2.88 CC(OC1CCCSC1)c2ccccc2 7a_100015962668_100000230085 [0,0,0,1,0,0|2,0,1]=4 4626 B16R2.88 CC(OC1CCOCC1)c2ccccc2 34a_100000744328_100000211855 [0,0,0,1,0,0|2,0,1]=4 4627 B16R2.88 CC(OC1CCSCC1)c2ccccc2 34a_100000731022_100000211855 [0,0,0,1,0,0|2,0,1]=4 4628 B16R2.88 CC(OC1CCSCC1)c2ccccc2 7a_100000731022_100000230085 [0,0,0,1,0,0|2,0,1]=4 4629 B16R2.88 CC(SC1CCCCC1)c2ccccc2 62a_100000210327_100000230085 [0,0,0,1,0,0|1,1,1]=4 4630 B16R2.88 CC(SC1CCCCC1)c2ccccc2 62a_100000230085_100000210327 [0,0,0,1,0,0|1,1,1]=4 4631 B16R2.88 CN(CC1CCCCC1)c2ccccc2 2230a_100000210012_100000211423 [0,0,0,1,0,0|3,0,0]=4 4632 B16R2.88 CN(CC1CCCCC1)c2ccccc2 269982a_100000210012_100000211423 [0,0,0,1,0,0|3,0,0]=4 4633 B16R2.88 CN(CC1CCCCC1)c2ccccc2 34a_100000210012_100000211423 [0,0,0,1,0,0|3,0,0]=4 4634 B16R2.88 C[C@@H](NC1CCCCC1)c2ccccc2 270004a_100000751104_100000210434 [0,0,0,1,0,0|2,0,1]=4 4635 B16R2.88 C[C@@H](OC1CCCCC1)c2ccccc2 34a_100000761318_100000210327 [0,0,0,1,0,0|1,0,1]=3 4636 B16R2.88 C[C@@H](OC1CCCCC1)c2ccccc2 7a_100000761318_100000210327 [0,0,0,1,0,0|1,0,1]=3 4637 B16R2.88 C[C@@H](OC1CCCOC1)c2ccccc2 34a_100000761318_100000693364 [0,0,0,1,0,0|2,0,1]=4 4638 B16R2.88 C[C@@H](OC1CCCOC1)c2ccccc2 7a_100000761318_100000693364 [0,0,0,1,0,0|2,0,1]=4 4639 B16R2.88 C[C@@H](OC1CCOCC1)c2ccccc2 7a_100000761318_100000686592 [0,0,0,1,0,0|2,0,1]=4 4640 B16R2.88 C[C@@H](OC1CCSCC1)c2ccccc2 34a_100000761318_100000069128 [0,0,0,1,0,0|2,0,1]=4 4641 B16R2.88 C[C@@H](OC1CCSCC1)c2ccccc2 7a_100000761318_100011500858 [0,0,0,1,0,0|2,0,1]=4 4642 B16R2.88 O=C(CC1CCCCC1)c2ccccc2 1458a_100000185807_100000211423 [0,0,0,1,0,0|1,0,0]=2 4643 B16R2.88 O=C(CC1CCCCO1)c2ccccc2 1458a_100000185807_100000211543 [0,0,0,1,0,0|2,0,0]=3 4644 B16R2.88 O=C(CC1CCCOC1)c2ccccc2 1458a_100000185807_100000741521 [0,0,0,1,0,0|2,0,0]=3 4645 B16R2.88 O=C(CC1CCOCC1)c2ccccc2 1458a_100000185807_100000754603 [0,0,0,1,0,0|2,0,0]=3 4646 B16R2.88 O=C(CN1CCCOC1)c2ccccc2 269982a_100000131196_100000211460 [0,0,0,1,0,0|3,0,0]=4 4647 B16R2.88 O=C(CN1CCOCC1)c2ccccc2 269982a_100015191051_100000211460 [0,0,0,1,0,0|3,0,0]=4 4648 B16R2.88 O=C(CN1CCSCC1)c2ccccc2 269982a_100000737611_100000211460 [0,0,0,1,0,0|3,0,0]=4 4649 B16R2.88 O=C(NC1CCCCC1)c2ccccc2 11a_100000182618_100000185807 [0,0,0,1,0,0|1,0,0]=2 4650 B16R2.88 O=C(NC1CCCCC1)c2ccccc2 1626a_100000182618_100000185807 [0,0,0,1,0,0|1,0,0]=2 4651 B16R2.88 O=C(NC1CCCCC1)c2ccccc2 240690a_100000182618_100000185807 [0,0,0,1,0,0|1,0,0]=2 4652 B16R2.88 O=C(NC1CCCCC1)c2ccccc2 527a_100000182618_100000185807 [0,0,0,1,0,0|1,0,0]=2 4653 B16R2.88 O=C(NC1CCCOC1)c2ccccc2 11a_100000719290_100000185807 [0,0,0,1,0,0|2,0,0]=3 4654 B16R2.88 O=C(NC1CCCOC1)c2ccccc2 1626a_100000719290_100000185807 [0,0,0,1,0,0|2,0,0]=3 4655 B16R2.88 O=C(NC1CCCOC1)c2ccccc2 240690a_100000719290_100000185807 [0,0,0,1,0,0|2,0,0]=3 4656 B16R2.88 O=C(NC1CCCOC1)c2ccccc2 527a_100000719290_100000185807 [0,0,0,1,0,0|2,0,0]=3 4657 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 11a_100000741149_100000185807 [0,0,0,1,0,0|2,0,0]=3 4658 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 1626a_100000741149_100000185807 [0,0,0,1,0,0|2,0,0]=3 4659 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 240690a_100000741149_100000185807 [0,0,0,1,0,0|2,0,0]=3 4660 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 527a_100000741149_100000185807 [0,0,0,1,0,0|2,0,0]=3 4661 B16R2.88 O=C(NC1CCSCC1)c2ccccc2 11a_100000748639_100000185807 [0,0,0,1,0,0|2,0,0]=3 4662 B16R2.88 O=C(NC1CCSCC1)c2ccccc2 1626a_100000748639_100000185807 [0,0,0,1,0,0|2,0,0]=3 4663 B16R2.88 O=C(NC1CCSCC1)c2ccccc2 240690a_100000748639_100000185807 [0,0,0,1,0,0|2,0,0]=3 4664 B16R2.88 O=C(NC1CCSCC1)c2ccccc2 527a_100000748639_100000185807 [0,0,0,1,0,0|2,0,0]=3 4665 B16R2.94 CCCN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_100000210303 [0,0,0,1,0,0|2,0,1]=4 4666 B16R2.94 CCCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100000210303 [0,0,0,1,0,0|2,0,1]=4 4667 B16R2.94 CCCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100000210303 [0,0,0,1,0,0|2,0,1]=4 4668 B16R2.94 CCNC1CCOC(C1)c2ccccc2 270004a_100015525214_100011986434 [0,0,0,1,0,0|2,0,1]=4 4669 B16R2.94 CCOC1CCOC(C1)c2ccccc2 34a_100000692292_100000210202 [0,0,0,1,0,0|2,0,1]=4 4670 B16R2.94 CCOC1CCOC(C1)c2ccccc2 7a_100000692292_100000210202 [0,0,0,1,0,0|2,0,1]=4 4671 B16R2.150 CCCCc1coc(n1)c2ccccc2 271570a_100020621405_100010163736 [0,0,0,1,0,0|1,0,2]=4 4672 B16R2.150 CCCCc1noc(n1)c2ccccc2 270196a_100011193411_100000185807 [0,0,0,1,0,0|2,0,1]=4 4673 B16R2.150 CCCCc1noc(n1)c2ccccc2 271570a_100020621405_200000701163 [0,0,0,1,0,0|2,0,1]=4 4674 B16R2.150 CCSCC1COC(O1)c2ccccc2 62a_100000210202_100011996486 [0,0,0,1,0,0|1,0,2]=4 4675 B16R2.285 CC1CCN1CCC(=O)c2ccccc2 269982a_100000755817_100000750707 [0,0,0,1,0,0|2,0,0]=3 4676 B16R2.285 CC1CCN1CCS(=O)c2ccccc2 269982a_100000755817_100000740319 [0,0,0,1,0,0|3,0,0]=4 4677 B16R2.285 CC1CCN1COC(=O)c2ccccc2 269982a_100000755817_100000073877 [0,0,0,1,0,0|1,0,0]=2 4678 B16R2.285 O=C(CCC1CCC1=O)c2ccccc2 1458a_100000185807_200016118888 [0,0,0,1,0,0|2,0,1]=4 4679 B16R2.522 CC(=NNCC1CCC1)c2ccccc2 4a_200020586977_100000185851 [0,0,0,1,0,0|3,0,0]=4 4680 B16R2.522 CC(OCCC1COC1)c2ccccc2 34a_100009855314_100000211855 [0,0,0,1,0,0|2,0,1]=4 4681 B16R2.522 O=C(CCCN1CCC1)c2ccccc2 269982a_100000754969_100000211006 [0,0,0,1,0,0|2,0,0]=3 4682 B16R2.522 O=C(CCNC1CCC1)c2ccccc2 2230a_100000749019_100000750707 [0,0,0,1,0,0|2,0,0]=3 4683 B16R2.522 O=C(CCNC1COC1)c2ccccc2 2230a_100016991112_100000750707 [0,0,0,1,0,0|3,0,0]=4 4684 B16R2.522 O=C(CCOC1CSC1)c2ccccc2 7a_100000072292_100000750707 [0,0,0,1,0,0|3,0,0]=4 4685 B16R2.522 O=C(CCSC1CCC1)c2ccccc2 62a_100000750707_100000749161 [0,0,0,1,0,0|2,0,0]=3 4686 B16R2.522 O=C(CCSC1COC1)c2ccccc2 62a_100000750707_100009818527 [0,0,0,1,0,0|3,0,0]=4 4687 B16R2.522 O=C(CNCC1CCC1)c2ccccn2 34a_100000738700_100000027445 [0,0,0,1,0,0|3,0,0]=4 4688 B16R2.522 O=C(COCC1CCC1)c2ccccn2 34a_100000760304_100000027445 [0,0,0,1,0,0|3,0,0]=4 4689 B16R2.522 O=C(CSCC1CCC1)c2ccccc2 62a_100000211460_100000763275 [0,0,0,1,0,0|2,0,0]=3 4690 B16R2.522 O=C(CSCC1CCC1)c2ccccc2 62a_100000763275_100000211460 [0,0,0,1,0,0|2,0,0]=3 4691 B16R2.522 O=C(CSCC1CCC1)c2ccccn2 62a_100000027445_100000763275 [0,0,0,1,0,0|3,0,0]=4 4692 B16R2.522 O=C(CSCC1CCC1)c2ccccn2 62a_100000763275_100000027445 [0,0,0,1,0,0|3,0,0]=4 4693 B16R2.522 O=C(CSCC1CCC1)c2cccnc2 62a_100000757877_100000763275 [0,0,0,1,0,0|3,0,0]=4 4694 B16R2.522 O=C(CSCC1CCC1)c2cccnc2 62a_100000763275_100000757877 [0,0,0,1,0,0|3,0,0]=4 4695 B16R2.522 O=C(CSCC1CCC1)c2ccncc2 62a_100000027454_100000763275 [0,0,0,1,0,0|3,0,0]=4 4696 B16R2.522 O=C(CSCC1CCC1)c2ccncc2 62a_100000763275_100000027454 [0,0,0,1,0,0|3,0,0]=4 4697 B16R2.522 O=C(CSCC1CCO1)c2ccccc2 62a_100000103362_100000211460 [0,0,0,1,0,0|3,0,0]=4 4698 B16R2.522 O=C(CSCC1CCO1)c2ccccc2 62a_100000211460_100000103362 [0,0,0,1,0,0|3,0,0]=4 4699 B16R2.522 O=C(CSCC1COC1)c2ccccc2 62a_100000211460_100010264016 [0,0,0,1,0,0|3,0,0]=4 4700 B16R2.522 O=C(CSCC1COC1)c2ccccc2 62a_100010264016_100000211460 [0,0,0,1,0,0|3,0,0]=4 4701 B16R2.522 O=C(NCCN1CCC1)c2ccccc2 240690a_100000691440_100000185807 [0,0,0,1,0,0|2,0,0]=3 4702 B16R2.522 O=C(NCCN1CCC1)c2ccccc2 269982a_100000754969_200011215302 [0,0,0,1,0,0|2,0,0]=3 4703 B16R2.522 O=C(NN=CC1CCC1)c2ccccc2 4a_100000184135_100000753134 [0,0,0,1,0,0|2,0,1]=4 4704 B16R2.522 O=C(NNCC1CCC1)c2ccccc2 22a_200020586977_100000185807 [0,0,0,1,0,0|2,0,0]=3 4705 B16R2.522 O=C(OCCN1CCC1)c2ccccc2 269982a_100000754969_100009812718 [0,0,0,1,0,0|1,0,0]=2 4706 B16R2.522 O=C(OCOC1CSC1)c2ccccc2 7a_100000072292_100000073877 [0,0,0,1,0,0|2,0,0]=3 4707 B16R2.522 O=C(OCSC1CCC1)c2ccccc2 62a_100000073877_100000749161 [0,0,0,1,0,0|1,0,0]=2 4708 B16R2.522 O=C(OCSC1COC1)c2ccccc2 62a_100000073877_100009818527 [0,0,0,1,0,0|2,0,0]=3 4709 B16R2.522 O=S(CCNC1CCC1)c2ccccc2 2230a_100000749019_100000740319 [0,0,0,1,0,0|3,0,0]=4 4710 B16R2.522 O=S(CSCC1CCC1)c2ccccc2 62a_100000763275_100000031784 [0,0,0,1,0,0|3,0,0]=4 4711 B16R2.2209 CC(c1ccccc1)N2CCCCCC2 2230a_100000185865_100000230085 [0,0,0,1,0,0|2,0,1]=4 4712 B16R2.2209 CC(c1ccccc1)N2CCCCCC2 269982a_100000185865_100000230085 [0,0,0,1,0,0|2,0,1]=4 4713 B16R2.2209 CC(c1ccccc1)N2CCCCCC2 34a_100000185865_100000211855 [0,0,0,1,0,0|2,0,1]=4 4714 B16R2.2209 CN(c1ccccc1)C2CCCCCC2 269982a_100000210012_100011217769 [0,0,0,1,0,0|3,0,0]=4 4715 B16R2.2209 CN(c1ccccc1)C2CCCCCC2 34a_100000210012_100011217769 [0,0,0,1,0,0|3,0,0]=4 4716 B16R2.2209 O=C(c1ccccc1)C2CCCCCC2 1458a_100000185807_100011217769 [0,0,0,1,0,0|1,0,0]=2 4717 B16R2.2209 O=C(c1ccccc1)N2CCCCCC2 11a_100000185865_100000185807 [0,0,0,1,0,0|1,0,0]=2 4718 B16R2.2209 O=C(c1ccccc1)N2CCCCCC2 1626a_100000185865_100000185807 [0,0,0,1,0,0|1,0,0]=2 4719 B16R2.2209 O=C(c1ccccc1)N2CCCCCC2 240690a_100000185865_100000185807 [0,0,0,1,0,0|1,0,0]=2 4720 B16R2.2209 O=C(c1ccccc1)N2CCCCCC2 527a_100000185865_100000185807 [0,0,0,1,0,0|1,0,0]=2 4721 B16R2.2209 O=C(c1ccccc1)N2CCCOCC2 11a_100000685342_100000185807 [0,0,0,1,0,0|2,0,0]=3 4722 B16R2.2209 O=C(c1ccccc1)N2CCCOCC2 1626a_100000685342_100000185807 [0,0,0,1,0,0|2,0,0]=3 4723 B16R2.2209 O=C(c1ccccc1)N2CCCOCC2 240690a_100000685342_100000185807 [0,0,0,1,0,0|2,0,0]=3 4724 B16R2.2209 O=C(c1ccccc1)N2CCCOCC2 527a_100000685342_100000185807 [0,0,0,1,0,0|2,0,0]=3 4725 B16R2.2516 CCC1C=CCN1C(=O)c2ccccc2 11a_100000730860_100000185807 [0,0,0,1,0,0|1,0,2]=4 4726 B16R2.2516 CCC1C=CCN1C(=O)c2ccccc2 1626a_100000730860_100000185807 [0,0,0,1,0,0|1,0,2]=4 4727 B16R2.2516 CCC1C=CCN1C(=O)c2ccccc2 240690a_100000730860_100000185807 [0,0,0,1,0,0|1,0,2]=4 4728 B16R2.2516 CCC1C=CCN1C(=O)c2ccccc2 527a_100000730860_100000185807 [0,0,0,1,0,0|1,0,2]=4 4729 B16R2.2516 CCC1CCCN1C(=O)c2ccccc2 11a_100000754278_100000185807 [0,0,0,1,0,0|1,0,0]=2 4730 B16R2.2516 CCC1CCCN1C(=O)c2ccccc2 1626a_100000754278_100000185807 [0,0,0,1,0,0|1,0,0]=2 4731 B16R2.2516 CCC1CCCN1C(=O)c2ccccc2 240690a_100000754278_100000185807 [0,0,0,1,0,0|1,0,0]=2 4732 B16R2.2516 CCC1CCCN1C(=O)c2ccccc2 527a_100000754278_100000185807 [0,0,0,1,0,0|1,0,0]=2 4733 B16R2.2516 CCC1CCCN1C(C)c2ccccc2 2230a_100000754278_100000230085 [0,0,0,1,0,0|2,0,1]=4 4734 B16R2.2516 CCC1CCCN1C(C)c2ccccc2 269982a_100000754278_100000230085 [0,0,0,1,0,0|2,0,1]=4 4735 B16R2.2516 CCC1CCCN1C(C)c2ccccc2 34a_100000754278_100000211855 [0,0,0,1,0,0|2,0,1]=4 4736 B16R2.2516 N#CC1CCCN1C(=O)c2ccccc2 11a_100000701862_100000185807 [0,0,0,1,0,0|2,0,1]=4 4737 B16R2.2516 N#CC1CCCN1C(=O)c2ccccc2 1626a_100000701862_100000185807 [0,0,0,1,0,0|2,0,1]=4 4738 B16R2.2516 N#CC1CCCN1C(=O)c2ccccc2 240690a_100000701862_100000185807 [0,0,0,1,0,0|2,0,1]=4 4739 B16R2.2516 N#CC1CCCN1C(=O)c2ccccc2 527a_100000701862_100000185807 [0,0,0,1,0,0|2,0,1]=4 4740 B16R2.2516 N#C[C@H]1CCCN1C(=O)c2ccccc2 240690a_106645074975_100000185807 [0,0,0,1,0,0|2,0,1]=4 4741 B16R2.2516 N#C[C@H]1CCCN1C(=O)c2ccccc2 527a_106645074975_100000185807 [0,0,0,1,0,0|2,0,1]=4 4742 B16R2.2516 O=C(c1ccccc1)N2CCC[C@@H]2CO 240690a_100000745186_100000185807 [0,0,0,1,0,0|2,0,0]=3 4743 B16R2.2516 O=C(c1ccccc1)N2CCC[C@@H]2CO 527a_100000745186_100000185807 [0,0,0,1,0,0|2,0,0]=3 4744 B16R2.3014 CC(OC1CCCC1C)c2ccccc2 34a_100011216460_100000211855 [0,0,0,1,0,0|1,0,1]=3 4745 B16R2.3014 CC(OC1CCCC1C)c2ccccc2 7a_100011216460_100000230085 [0,0,0,1,0,0|1,0,1]=3 4746 B16R2.3014 CC(O[C@@H]1CCC[C@H]1Cl)c2ccccc2 34a_200016002552_100000211855 [0,0,0,1,0,0|2,0,1]=4 4747 B16R2.3014 CC(O[C@H]1CCC[C@@H]1N)c2ccccc2 34a_100000748460_100000211855 [0,0,0,1,0,0|2,0,1]=4 4748 B16R2.3014 CC(O[C@H]1CNC[C@H]1C)c2ccccc2 34a_200015306588_100000211855 [0,0,0,1,0,0|2,0,1]=4 4749 B16R2.3014 CC1CCCC1N[C@H](C)c2ccccc2 269862a_100000751104_100000752053 [0,0,0,1,0,0|2,0,1]=4 4750 B16R2.3014 CC1SCCN1CC(=O)c2ccccc2 269982a_200011216479_100000211460 [0,0,0,1,0,0|3,0,0]=4 4751 B16R2.3014 C[C@@H]1CCCN1CC(=O)c2ccccc2 269982a_100015189458_100000211460 [0,0,0,1,0,0|2,0,0]=3 4752 B16R2.3014 C[C@@H]1CCCN1CC(=O)c2ccccn2 269982a_100015189458_100000027445 [0,0,0,1,0,0|3,0,0]=4 4753 B16R2.3014 C[C@@H]1CCCN1CC(=O)c2ccccn2 34a_100015189458_100000027445 [0,0,0,1,0,0|3,0,0]=4 4754 B16R2.3014 C[C@@H]1CCCN1CC(=O)c2cccnc2 269982a_100015189458_100000757877 [0,0,0,1,0,0|3,0,0]=4 4755 B16R2.3014 C[C@@H]1CCCN1CC(=O)c2ccncc2 269982a_100015189458_100000027454 [0,0,0,1,0,0|3,0,0]=4 4756 B16R2.3014 C[C@@H]1CCCN1CS(=O)c2ccccc2 269982a_100015189458_100000031784 [0,0,0,1,0,0|3,0,0]=4 4757 B16R2.3014 C[C@H]1CCCN1CC(=O)c2ccccc2 269982a_100020605311_100000211460 [0,0,0,1,0,0|2,0,0]=3 4758 B16R2.3014 C[C@H]1CCCN1CC(=O)c2ccccn2 269982a_100020605311_100000027445 [0,0,0,1,0,0|3,0,0]=4 4759 B16R2.3014 C[C@H]1CCCN1CC(=O)c2cccnc2 269982a_100020605311_100000757877 [0,0,0,1,0,0|3,0,0]=4 4760 B16R2.3014 C[C@H]1CCCN1CC(=O)c2ccncc2 269982a_100020605311_100000027454 [0,0,0,1,0,0|3,0,0]=4 4761 B16R2.3014 C[C@H]1CCCN1CS(=O)c2ccccc2 269982a_100020605311_100000031784 [0,0,0,1,0,0|3,0,0]=4 4762 B16R2.3014 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2 11a_100000748460_100000185807 [0,0,0,1,0,0|2,0,0]=3 4763 B16R2.3014 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2 240690a_100000748460_100000185807 [0,0,0,1,0,0|2,0,0]=3 4764 B16R2.3014 O=C(N[C@H]1COC[C@@H]1O)c2ccccc2 11a_100015191717_100000185807 [0,0,0,1,0,0|3,0,0]=4 4765 B16R2.3014 O=C(N[C@H]1COC[C@@H]1O)c2ccccc2 240690a_100015191717_100000185807 [0,0,0,1,0,0|3,0,0]=4 4766 B16R2.3014 O=C(N[C@H]1COC[C@@H]1O)c2ccccc2 527a_100015191717_100000185807 [0,0,0,1,0,0|3,0,0]=4 4767 B16R2.3189 CC1CC1COCC(=O)c2ccccc2 7a_100000744939_100000211460 [0,0,0,1,0,0|2,0,0]=3 4768 B16R2.3189 CC1CC1COCC(=O)c2ccccn2 34a_100000744939_100000027445 [0,0,0,1,0,0|3,0,0]=4 4769 B16R2.3189 CC1CC1COCC(=O)c2ccccn2 7a_100000744939_100000027445 [0,0,0,1,0,0|3,0,0]=4 4770 B16R2.3189 CC1CC1COCC(=O)c2ccncc2 7a_100000744939_100015248511 [0,0,0,1,0,0|3,0,0]=4 4771 B16R2.3189 O=C(CCN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000750707 [0,0,0,1,0,0|3,0,0]=4 4772 B16R2.3189 O=C(CCN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000750707 [0,0,0,1,0,0|3,0,0]=4 4773 B16R2.3447 COCC1CCN1C(=O)c2ccccc2 11a_100015195929_100000185807 [0,0,0,1,0,0|2,0,0]=3 4774 B16R2.3447 COCC1CCN1C(=O)c2ccccc2 1626a_100015195929_100000185807 [0,0,0,1,0,0|2,0,0]=3 4775 B16R2.3447 COCC1CCN1C(=O)c2ccccc2 240690a_100015195929_100000185807 [0,0,0,1,0,0|2,0,0]=3 4776 B16R2.3447 COCC1CCN1C(=O)c2ccccc2 527a_100015195929_100000185807 [0,0,0,1,0,0|2,0,0]=3 4777 B16R2.3896 CC1CCCCN1C(=O)c2ccccc2 11a_100000211376_100000185807 [0,0,0,1,0,0|1,0,0]=2 4778 B16R2.3896 CC1CCCCN1C(=O)c2ccccc2 1626a_100000211376_100000185807 [0,0,0,1,0,0|1,0,0]=2 4779 B16R2.3896 CC1CCCCN1C(=O)c2ccccc2 240690a_100000211376_100000185807 [0,0,0,1,0,0|1,0,0]=2 4780 B16R2.3896 CC1CCCCN1C(=O)c2ccccc2 527a_100000211376_100000185807 [0,0,0,1,0,0|1,0,0]=2 4781 B16R2.3896 CC1CCCCN1C(C)c2ccccc2 2230a_100000211376_100000230085 [0,0,0,1,0,0|2,0,1]=4 4782 B16R2.3896 CC1CCCCN1C(C)c2ccccc2 269982a_100000211376_100000230085 [0,0,0,1,0,0|2,0,1]=4 4783 B16R2.3896 CC1CCCCN1C(C)c2ccccc2 34a_100000211376_100000211855 [0,0,0,1,0,0|2,0,1]=4 4784 B16R2.3896 C[C@H]1COCCN1C(=O)c2ccccc2 11a_100009815349_100000185807 [0,0,0,1,0,0|2,0,0]=3 4785 B16R2.3896 C[C@H]1COCCN1C(=O)c2ccccc2 240690a_100009815349_100000185807 [0,0,0,1,0,0|2,0,0]=3 4786 B16R2.3896 C[C@H]1COCCN1C(=O)c2ccccc2 527a_100009815349_100000185807 [0,0,0,1,0,0|2,0,0]=3 4787 B16R2.3896 O=C1CCCCC1C(=O)c2ccccc2 1458a_100000185807_100000204591 [0,0,0,1,0,0|2,0,1]=4 4788 B16R2.5767 CC(=NNC1CCCC1)c2ccccc2 4a_100000737850_100000185851 [0,0,0,1,0,0|3,0,0]=4 4789 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 2230a_100000737975_100000230085 [0,0,0,1,0,0|2,0,1]=4 4790 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 269862a_100000737975_100000185851 [0,0,0,1,0,0|2,0,1]=4 4791 B16R2.5767 CC(NCC1CCCC1)c2ccccc2 34a_100000737975_100000211855 [0,0,0,1,0,0|2,0,1]=4 4792 B16R2.5767 CC(OCC1CCCC1)c2ccccc2 34a_100000742336_100000211855 [0,0,0,1,0,0|1,0,1]=3 4793 B16R2.5767 CC(OCC1CCCC1)c2ccccc2 7a_100000742336_100000230085 [0,0,0,1,0,0|1,0,1]=3 4794 B16R2.5767 CC(OCC1CCCO1)c2ccccc2 34a_100000210270_100000211855 [0,0,0,1,0,0|2,0,1]=4 4795 B16R2.5767 CC(OCC1CCCO1)c2ccccc2 7a_100000210270_100000230085 [0,0,0,1,0,0|2,0,1]=4 4796 B16R2.5767 CC(OCC1CCNC1)c2ccccc2 34a_100000748654_100000211855 [0,0,0,1,0,0|2,0,1]=4 4797 B16R2.5767 CC(OCC1CCOC1)c2ccccc2 34a_100000740260_100000211855 [0,0,0,1,0,0|2,0,1]=4 4798 B16R2.5767 CC(OC[C@H]1CCCN1)c2ccccc2 34a_100000745186_100000211855 [0,0,0,1,0,0|2,0,1]=4 4799 B16R2.5767 CC(SCC1CCCC1)c2ccccc2 62a_100000230085_100000740388 [0,0,0,1,0,0|1,1,1]=4 4800 B16R2.5767 CC(SCC1CCCC1)c2ccccc2 62a_100000740388_100000230085 [0,0,0,1,0,0|1,1,1]=4 4801 B16R2.5767 CN(CCC1CCCC1)c2ccccc2 2230a_100000210012_100000760354 [0,0,0,1,0,0|3,0,0]=4 4802 B16R2.5767 CN(CCC1CCCC1)c2ccccc2 269982a_100000210012_100000760354 [0,0,0,1,0,0|3,0,0]=4 4803 B16R2.5767 CN(CCC1CCCC1)c2ccccc2 34a_100000210012_100000760354 [0,0,0,1,0,0|3,0,0]=4 4804 B16R2.5767 C[C@@H](NCC1CCCC1)c2ccccc2 2230a_100000751104_100000740388 [0,0,0,1,0,0|2,0,1]=4 4805 B16R2.5767 C[C@@H](NCC1CCCC1)c2ccccc2 269862a_100000751104_100000746403 [0,0,0,1,0,0|2,0,1]=4 4806 B16R2.5767 C[C@@H](OCC1CCCC1)c2ccccc2 34a_100000761318_100000740388 [0,0,0,1,0,0|1,0,1]=3 4807 B16R2.5767 C[C@@H](OCC1CCCC1)c2ccccc2 7a_100000761318_100000740388 [0,0,0,1,0,0|1,0,1]=3 4808 B16R2.5767 C[C@@H](OCC1CCCO1)c2ccccc2 7a_100000761318_100000203698 [0,0,0,1,0,0|2,0,1]=4 4809 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 34a_100000761318_100011261433 [0,0,0,1,0,0|2,0,1]=4 4810 B16R2.5767 C[C@@H](OCC1CCOC1)c2ccccc2 7a_100000761318_100000702531 [0,0,0,1,0,0|2,0,1]=4 4811 B16R2.5767 O=C(CCC1CCCC1)c2ccccc2 1458a_100000185807_100000760354 [0,0,0,1,0,0|1,0,0]=2 4812 B16R2.5767 O=C(CCC1OCCO1)c2ccccc2 1458a_100000185807_100000740749 [0,0,0,1,0,0|3,0,0]=4 4813 B16R2.5767 O=C(CCN1CCCC1)c2ccccc2 1458a_100000185807_100000004467 [0,0,0,1,0,0|2,0,0]=3 4814 B16R2.5767 O=C(CCN1CCCC1)c2ccccc2 2230a_100000188435_100000750707 [0,0,0,1,0,0|2,0,0]=3 4815 B16R2.5767 O=C(CCN1CCCC1)c2ccccc2 269982a_100000188435_100000750707 [0,0,0,1,0,0|2,0,0]=3 4816 B16R2.5767 O=C(CCN1CCSC1)c2ccccc2 2230a_100011215254_100000750707 [0,0,0,1,0,0|3,0,0]=4 4817 B16R2.5767 O=C(CCN1CCSC1)c2ccccc2 269982a_100011215254_100000750707 [0,0,0,1,0,0|3,0,0]=4 4818 B16R2.5767 O=C(CNC1CCCC1)c2ccccn2 34a_100000211070_100000027445 [0,0,0,1,0,0|3,0,0]=4 4819 B16R2.5767 O=C(COC1CCCC1)c2ccccc2 7a_100000210269_100000211460 [0,0,0,1,0,0|2,0,0]=3 4820 B16R2.5767 O=C(COC1CCCC1)c2ccccn2 34a_100000210269_100000027445 [0,0,0,1,0,0|3,0,0]=4 4821 B16R2.5767 O=C(COC1CCCC1)c2ccccn2 7a_100000210269_100000027445 [0,0,0,1,0,0|3,0,0]=4 4822 B16R2.5767 O=C(COC1CCCC1)c2ccncc2 7a_100000210269_100015248511 [0,0,0,1,0,0|3,0,0]=4 4823 B16R2.5767 O=C(COC1CCSC1)c2ccccc2 7a_100011232664_100000211460 [0,0,0,1,0,0|3,0,0]=4 4824 B16R2.5767 O=C(CSC1CCCC1)c2ccccc2 62a_100000211460_100000179811 [0,0,0,1,0,0|2,0,0]=3 4825 B16R2.5767 O=C(CSC1CCCC1)c2ccccc2 62a_100011217020_100000211460 [0,0,0,1,0,0|2,0,0]=3 4826 B16R2.5767 O=C(CSC1CCCC1)c2ccccn2 62a_100000027445_100000179811 [0,0,0,1,0,0|3,0,0]=4 4827 B16R2.5767 O=C(CSC1CCCC1)c2ccccn2 62a_100011217020_100000027445 [0,0,0,1,0,0|3,0,0]=4 4828 B16R2.5767 O=C(CSC1CCCC1)c2cccnc2 62a_100000757877_100000179811 [0,0,0,1,0,0|3,0,0]=4 4829 B16R2.5767 O=C(CSC1CCCC1)c2cccnc2 62a_100011217020_100000757877 [0,0,0,1,0,0|3,0,0]=4 4830 B16R2.5767 O=C(CSC1CCCC1)c2ccncc2 62a_100000027454_100000179811 [0,0,0,1,0,0|3,0,0]=4 4831 B16R2.5767 O=C(CSC1CCCC1)c2ccncc2 62a_100011217020_100000027454 [0,0,0,1,0,0|3,0,0]=4 4832 B16R2.5767 O=C(CSC1CCOC1)c2ccccc2 62a_100000211460_100000690089 [0,0,0,1,0,0|3,0,0]=4 4833 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 11a_100000737975_100000185807 [0,0,0,1,0,0|1,0,0]=2 4834 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 1626a_100000737975_100000185807 [0,0,0,1,0,0|1,0,0]=2 4835 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 240690a_100000737975_100000185807 [0,0,0,1,0,0|1,0,0]=2 4836 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 527a_100000737975_100000185807 [0,0,0,1,0,0|1,0,0]=2 4837 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 11a_100000737293_100000185807 [0,0,0,1,0,0|2,0,0]=3 4838 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 1626a_100000737293_100000185807 [0,0,0,1,0,0|2,0,0]=3 4839 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 240690a_100000737293_100000185807 [0,0,0,1,0,0|2,0,0]=3 4840 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 527a_100000737293_100000185807 [0,0,0,1,0,0|2,0,0]=3 4841 B16R2.5767 O=C(NCC1OCCO1)c2ccccc2 11a_100000036311_100000185807 [0,0,0,1,0,0|3,0,0]=4 4842 B16R2.5767 O=C(NCC1OCCO1)c2ccccc2 1626a_100000036311_100000185807 [0,0,0,1,0,0|3,0,0]=4 4843 B16R2.5767 O=C(NCC1OCCO1)c2ccccc2 527a_100000036311_100000185807 [0,0,0,1,0,0|3,0,0]=4 4844 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 11a_100020590478_100000185807 [0,0,0,1,0,0|2,0,0]=3 4845 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 1626a_100020590478_100000185807 [0,0,0,1,0,0|2,0,0]=3 4846 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 240690a_100020590478_100000185807 [0,0,0,1,0,0|2,0,0]=3 4847 B16R2.5767 O=C(NC[C@@H]1CCCO1)c2ccccc2 527a_100020590478_100000185807 [0,0,0,1,0,0|2,0,0]=3 4848 B16R2.5767 O=C(NN=C1CCCC1)c2ccccc2 4a_100000184135_100000210133 [0,0,0,1,0,0|2,0,1]=4 4849 B16R2.5767 O=C(NNC1CCCC1)c2ccccc2 22a_100000737850_100000185807 [0,0,0,1,0,0|2,0,0]=3 4850 B16R2.5767 O=C(NNC1CCOC1)c2ccccc2 22a_100000690549_100000185807 [0,0,0,1,0,0|3,0,0]=4 4851 B16R2.5767 O=C(NNC1CCSC1)c2ccccc2 22a_200000731317_100000185807 [0,0,0,1,0,0|3,0,0]=4 4852 B16R2.5767 O=C(OCN1CC=CC1)c2ccccc2 269982a_100015195280_100000073877 [0,0,0,1,0,0|1,0,2]=4 4853 B16R2.5767 O=C(OCN1CCCC1)c2ccccc2 269982a_100000188435_100000073877 [0,0,0,1,0,0|1,0,0]=2 4854 B16R2.5767 O=C(OCN1CCSC1)c2ccccc2 269982a_100011215254_100000073877 [0,0,0,1,0,0|2,0,0]=3 4855 B16R2.5767 O=S(CCN1CCCC1)c2ccccc2 2230a_100000188435_100000740319 [0,0,0,1,0,0|3,0,0]=4 4856 B16R2.5767 O=S(CCN1CCCC1)c2ccccc2 269982a_100000188435_100000740319 [0,0,0,1,0,0|3,0,0]=4 4857 B16R2.5767 O=S(CSC1CCCC1)c2ccccc2 62a_100011217020_100000031784 [0,0,0,1,0,0|3,0,0]=4 4858 B16R2.6329 C#CCCSC1OC(=O)c2c1cccc2 62a_100000688953_100009813457 [0,0,0,1,0,0|1,0,2]=4 4859 B16R2.6329 C/C=C/CSC1OC(=O)c2c1cccc2 62a_100102629194_100009813457 [0,0,0,1,0,0|1,0,2]=4 4860 B16R2.6329 C=CCCNC1OC(=O)c2c1cccc2 2230a_100015191253_100009813457 [0,0,0,1,0,0|1,0,2]=4 4861 B16R2.6329 C=CCCSC1OC(=O)c2c1cccc2 62a_100000754431_100009813457 [0,0,0,1,0,0|1,0,2]=4 4862 B16R2.6329 CC#CCNC1OC(=O)c2c1cccc2 2230a_100000685387_100009813457 [0,0,0,1,0,0|1,0,2]=4 4863 B16R2.6329 CC#CCSC1OC(=O)c2c1cccc2 62a_100000748600_100009813457 [0,0,0,1,0,0|1,0,2]=4 4864 B16R2.6329 CC=CCSC1OC(=O)c2c1cccc2 62a_100000070051_100009813457 [0,0,0,1,0,0|1,0,2]=4 4865 B16R2.6329 CCCCNC1CC(=O)c2c1cccc2 2230a_100000102301_100010208147 [0,0,0,1,0,0|2,0,0]=3 4866 B16R2.6329 CCCCNC1CC(=O)c2c1cccc2 7a_106832991798_100010208147 [0,0,0,1,0,0|2,0,0]=3 4867 B16R2.6329 CCCCNC1OC(=O)c2c1cccc2 2230a_100000102301_100009813457 [0,0,0,1,0,0|1,0,0]=2 4868 B16R2.6329 CCCCOC1CC(=O)c2c1cccc2 7a_100000210227_100010208147 [0,0,0,1,0,0|2,0,0]=3 4869 B16R2.6329 CCCCSC1CC(=O)c2c1cccc2 62a_100000210211_100010208147 [0,0,0,1,0,0|2,0,0]=3 4870 B16R2.6329 CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210210 [0,0,0,1,0,0|2,0,0]=3 4871 B16R2.6329 CCCCSC1OC(=O)c2c1cccc2 62a_100000210211_100009813457 [0,0,0,1,0,0|1,0,0]=2 4872 B16R2.6329 CCOCSC1CC(=O)c2c1cccc2 62a_100000739092_100010208147 [0,0,0,1,0,0|3,0,0]=4 4873 B16R2.6329 CCOCSC1CC(=O)c2c1cccc2 62a_100010208147_100000739092 [0,0,0,1,0,0|3,0,0]=4 4874 B16R2.6329 CCOCSC1OC(=O)c2c1cccc2 62a_100000739092_100009813457 [0,0,0,1,0,0|2,0,0]=3 4875 B16R2.6329 COCCNC1CC(=O)c2c1cccc2 2230a_100000209980_100010208147 [0,0,0,1,0,0|3,0,0]=4 4876 B16R2.6329 COCCNC1OC(=O)c2c1cccc2 2230a_100000209980_100009813457 [0,0,0,1,0,0|2,0,0]=3 4877 B16R2.6329 COCCSC1CC(=O)c2c1cccc2 62a_100000233755_100010208147 [0,0,0,1,0,0|3,0,0]=4 4878 B16R2.6329 COCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000233755 [0,0,0,1,0,0|3,0,0]=4 4879 B16R2.6329 COCCSC1OC(=O)c2c1cccc2 62a_100000233755_100009813457 [0,0,0,1,0,0|2,0,0]=3 4880 B16R2.6329 CSCCNC1CC(=O)c2c1cccc2 2230a_100020590264_100010208147 [0,0,0,1,0,0|3,0,0]=4 4881 B16R2.6329 CSCCNC1OC(=O)c2c1cccc2 2230a_100020590264_100009813457 [0,0,0,1,0,0|2,0,0]=3 4882 B16R2.6329 CSCCOC1CC(=O)c2c1cccc2 7a_100000230434_100010208147 [0,0,0,1,0,0|3,0,0]=4 4883 B16R2.6329 CSCCSC1CC(=O)c2c1cccc2 62a_100000212216_100010208147 [0,0,0,1,0,0|3,0,0]=4 4884 B16R2.6329 CSCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000751147 [0,0,0,1,0,0|3,0,0]=4 4885 B16R2.6329 CSCCSC1OC(=O)c2c1cccc2 62a_100000212216_100009813457 [0,0,0,1,0,0|2,0,0]=3 4886 B16R2.6329 N#CCCSC1OC(=O)c2c1cccc2 62a_100011215226_100009813457 [0,0,0,1,0,0|2,0,1]=4 4887 B16R2.6329 O=C1CC(c2c1cccc2)NCCCF 2230a_100015189416_100010208147 [0,0,0,1,0,0|3,0,0]=4 4888 B16R2.6329 O=C1CC(c2c1cccc2)SCCCF 62a_100010208147_100011934791 [0,0,0,1,0,0|3,0,0]=4 4889 B16R2.6329 O=C1CC(c2c1cccc2)SCCCF 62a_100011934791_100010208147 [0,0,0,1,0,0|3,0,0]=4 4890 B16R2.6329 O=C1CC(c2c1cccc2)SCCCO 62a_100010208147_100011215043 [0,0,0,1,0,0|3,0,0]=4 4891 B16R2.6329 O=C1CC(c2c1cccc2)SCCCO 62a_100011215043_100010208147 [0,0,0,1,0,0|3,0,0]=4 4892 B16R2.6329 O=C1OC(c2c1cccc2)NCCCF 2230a_100015189416_100009813457 [0,0,0,1,0,0|2,0,0]=3 4893 B16R2.6329 O=C1OC(c2c1cccc2)SCCCF 62a_100011934791_100009813457 [0,0,0,1,0,0|2,0,0]=3 4894 B16R2.6329 O=C1OC(c2c1cccc2)SCCCO 62a_100011215043_100009813457 [0,0,0,1,0,0|2,0,0]=3 4895 B16R2.12192 CCCCc1n[nH]c(=O)c2c1cccc2 271570a_100020621405_100010235092 [0,0,0,1,0,0|2,0,1]=4 4896 B16R2.12192 CCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210303 [0,0,0,1,0,0|2,0,0]=3 4897 B16R2.12192 CCNN=C1COC(=O)c2c1cccc2 4a_100000756455_200010632819 [0,0,0,1,0,0|2,0,1]=4 4898 B16R2.12192 O=C1CCC(c2c1cccc2)OCCF 7a_100000100557_100011217306 [0,0,0,1,0,0|3,0,0]=4 4899 B16R2.12192 O=C1CCC(c2c1cccc2)OCCO 7a_100000100557_100000211926 [0,0,0,1,0,0|3,0,0]=4 4900 B16R2.27749 CC(OCCNC1CC1)c2ccccc2 34a_100000738766_100000211855 [0,0,0,1,0,0|2,0,1]=4 4901 B16R2.27749 C[C@@H](OCCCC1CO1)c2ccccc2 34a_100000761318_100000733510 [0,0,0,1,0,0|2,0,1]=4 4902 B16R2.27749 C[C@@H](OCCCC1CO1)c2ccccc2 7a_100000761318_100000733510 [0,0,0,1,0,0|2,0,1]=4 4903 B16R2.27749 O=C(CCCSC1CC1)c2ccccc2 62a_100000211006_100000211595 [0,0,0,1,0,0|2,0,0]=3 4904 B16R2.27749 O=C(CCNCC1CC1)c2ccccc2 2230a_100000735609_100000750707 [0,0,0,1,0,0|2,0,0]=3 4905 B16R2.27749 O=C(CCSCC1CC1)c2ccccc2 62a_100000750707_100000742324 [0,0,0,1,0,0|2,0,0]=3 4906 B16R2.27749 O=C(CCSCC1CC1)c2ccccc2 62a_100000756562_100000750707 [0,0,0,1,0,0|2,0,0]=3 4907 B16R2.27749 O=C(CCSCC1CO1)c2ccccc2 62a_100000750707_102125554688 [0,0,0,1,0,0|3,0,0]=4 4908 B16R2.27749 O=C(CCSCC1CO1)c2ccccc2 62a_102125554688_100000750707 [0,0,0,1,0,0|3,0,0]=4 4909 B16R2.27749 O=C(CCSCC1CS1)c2ccccc2 62a_100000031435_100000750707 [0,0,0,1,0,0|3,0,0]=4 4910 B16R2.27749 O=C(CCSCC1CS1)c2ccccc2 62a_100000750707_100000031435 [0,0,0,1,0,0|3,0,0]=4 4911 B16R2.27749 O=C(CCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000750707 [0,0,0,1,0,0|3,0,0]=4 4912 B16R2.27749 O=C(CCSC[C@@H]1CO1)c2ccccc2 62a_100000750707_100000745022 [0,0,0,1,0,0|3,0,0]=4 4913 B16R2.27749 O=C(CNCCC1CC1)c2ccccn2 34a_100000764129_100000027445 [0,0,0,1,0,0|3,0,0]=4 4914 B16R2.27749 O=C(COCCC1CC1)c2ccccc2 7a_100000754188_100000211460 [0,0,0,1,0,0|2,0,0]=3 4915 B16R2.27749 O=C(COCCC1CC1)c2ccccn2 34a_100000754188_100000027445 [0,0,0,1,0,0|3,0,0]=4 4916 B16R2.27749 O=C(COCCC1CC1)c2ccccn2 7a_100000754188_100000027445 [0,0,0,1,0,0|3,0,0]=4 4917 B16R2.27749 O=C(COCCC1CC1)c2ccncc2 7a_100000754188_100015248511 [0,0,0,1,0,0|3,0,0]=4 4918 B16R2.27749 O=C(CSCCC1CC1)c2ccccc2 62a_100000211460_100000764125 [0,0,0,1,0,0|2,0,0]=3 4919 B16R2.27749 O=C(CSCCC1CC1)c2ccccc2 62a_100000764125_100000211460 [0,0,0,1,0,0|2,0,0]=3 4920 B16R2.27749 O=C(CSCCC1CC1)c2ccccn2 62a_100000027445_100000764125 [0,0,0,1,0,0|3,0,0]=4 4921 B16R2.27749 O=C(CSCCC1CC1)c2ccccn2 62a_100000764125_100000027445 [0,0,0,1,0,0|3,0,0]=4 4922 B16R2.27749 O=C(CSCCC1CC1)c2cccnc2 62a_100000757877_100000764125 [0,0,0,1,0,0|3,0,0]=4 4923 B16R2.27749 O=C(CSCCC1CC1)c2cccnc2 62a_100000764125_100000757877 [0,0,0,1,0,0|3,0,0]=4 4924 B16R2.27749 O=C(CSCCC1CC1)c2ccncc2 62a_100000027454_100000764125 [0,0,0,1,0,0|3,0,0]=4 4925 B16R2.27749 O=C(CSCCC1CC1)c2ccncc2 62a_100000764125_100000027454 [0,0,0,1,0,0|3,0,0]=4 4926 B16R2.27749 O=C(CSCCC1CO1)c2ccccc2 62a_100000211460_100000732470 [0,0,0,1,0,0|3,0,0]=4 4927 B16R2.27749 O=C(CSCCC1CO1)c2ccccc2 62a_100000732470_100000211460 [0,0,0,1,0,0|3,0,0]=4 4928 B16R2.27749 O=C(NCCOC1CC1)c2ccccc2 34a_200000158897_100000211595 [0,0,0,1,0,0|2,0,0]=3 4929 B16R2.27749 O=C(NCCSC1CC1)c2ccccc2 62a_200011215302_100000211595 [0,0,0,1,0,0|2,0,0]=3 4930 B16R2.27749 O=C(OCCNC1CC1)c2ccccc2 34a_100000212008_100009812718 [0,0,0,1,0,0|1,0,0]=2 4931 B16R2.27749 O=C(OCCSC1CC1)c2ccccc2 62a_100009812718_100000211595 [0,0,0,1,0,0|1,0,0]=2 4932 B16R2.27749 O=C(OCSCC1CC1)c2ccccc2 62a_100000073877_100000742324 [0,0,0,1,0,0|1,0,0]=2 4933 B16R2.27749 O=C(OCSCC1CC1)c2ccccc2 62a_100000756562_100000073877 [0,0,0,1,0,0|1,0,0]=2 4934 B16R2.27749 O=C(OCSCC1CO1)c2ccccc2 62a_100000073877_102125554688 [0,0,0,1,0,0|2,0,0]=3 4935 B16R2.27749 O=C(OCSCC1CO1)c2ccccc2 62a_102125554688_100000073877 [0,0,0,1,0,0|2,0,0]=3 4936 B16R2.27749 O=C(OCSCC1CS1)c2ccccc2 62a_100000031435_100000073877 [0,0,0,1,0,0|2,0,0]=3 4937 B16R2.27749 O=C(OCSCC1CS1)c2ccccc2 62a_100000073877_100000031435 [0,0,0,1,0,0|2,0,0]=3 4938 B16R2.27749 O=C(OCSC[C@@H]1CO1)c2ccccc2 62a_100000073877_100000745022 [0,0,0,1,0,0|2,0,0]=3 4939 B16R2.27749 O=C(OCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000073877 [0,0,0,1,0,0|2,0,0]=3 4940 B16R2.27749 O=S(CCNCC1CC1)c2ccccc2 2230a_100000735609_100000740319 [0,0,0,1,0,0|3,0,0]=4 4941 B16R2.27749 O=S(CCSCC1CC1)c2ccccc2 62a_100000756562_100000740319 [0,0,0,1,0,0|3,0,0]=4 4942 B16R2.27749 O=S(CSCCC1CC1)c2ccccc2 62a_100000764125_100000031784 [0,0,0,1,0,0|3,0,0]=4 4943 B16R2.177828 BrCCCCCOC1Cc2c1cccc2 7a_100000746331_100009813401 [0,0,0,1,0,0|2,0,1]=4 4944 B16R2.177828 CCCCCCOC1Cc2c1cccc2 7a_100000210259_100009813401 [0,0,0,1,0,0|1,0,1]=3 4945 B16R2.177828 CCCCCCSC1Cc2c1cccc2 62a_100000210314_100009813401 [0,0,0,1,0,0|1,1,1]=4 4946 B16R2.177828 CCCCCCSC1Cc2c1cccc2 62a_100009813401_100000210757 [0,0,0,1,0,0|1,1,1]=4 4947 B16R2.177828 CCCCCNN=C1Cc2c1cccc2 4a_100000694160_100000051409 [0,0,0,1,0,0|3,0,0]=4 4948 B16R2.177828 CCCOCCOC1Cc2c1cccc2 7a_100000752267_100009813401 [0,0,0,1,0,0|2,0,1]=4 4949 B16R2.177828 CCCSCCOC1Cc2c1cccc2 7a_200000230433_100009813401 [0,0,0,1,0,0|2,0,1]=4 4950 B16R2.177828 CCOCCCOC1Cc2c1cccc2 7a_100000757476_100009813401 [0,0,0,1,0,0|2,0,1]=4 4951 B16R2.177828 CCSCCCOC1Cc2c1cccc2 7a_100011216438_100009813401 [0,0,0,1,0,0|2,0,1]=4 4952 B16R2.177828 CSCCCCOC1Cc2c1cccc2 7a_100011217163_100009813401 [0,0,0,1,0,0|2,0,1]=4 4953 B16R2.177828 ClCCCCCOC1Cc2c1cccc2 7a_100000746330_100009813401 [0,0,0,1,0,0|2,0,1]=4 4954 B16R2.177828 ICCCCCOC1Cc2c1cccc2 7a_200012148887_100009813401 [0,0,0,1,0,0|2,0,1]=4 4955 B14R1.169 CCCCCCOC(C)c1ccsc1 34a_100011350980_100000210314 [0,0,0,0,1,0|2,0,1]=4 4956 B14R1.169 CCCCCCOC(C)c1ccsc1 7a_100011350980_100000210314 [0,0,0,0,1,0|2,0,1]=4 4957 B14R1.169 CCCCCCO[C@@H](C)c1ccco1 34a_100000755270_100000210314 [0,0,0,0,1,0|2,0,1]=4 4958 B14R1.169 CCCCCCO[C@@H](C)c1ccco1 7a_100000755270_100000210314 [0,0,0,0,1,0|2,0,1]=4 4959 B14R1.169 CCCCCCO[C@H](C)c1cccs1 7a_100000750433_100000210314 [0,0,0,0,1,0|2,0,1]=4 4960 B14R1.169 CCCCCNCC(=O)c1cccs1 2230a_100000209983_100000211436 [0,0,0,0,1,0|3,0,0]=4 4961 B14R1.169 CCCCCNCC(=O)c1ccsc1 2230a_100000209983_100011219462 [0,0,0,0,1,0|3,0,0]=4 4962 B14R1.169 CCCCCOCC(=O)c1ccc[nH]1 7a_100000210253_200011262396 [0,0,0,0,1,0|3,0,0]=4 4963 B14R1.169 CCCCCOCC(=O)c1ccco1 7a_100000210253_100000211439 [0,0,0,0,1,0|3,0,0]=4 4964 B14R1.169 CCCCCOCC(=O)c1cccs1 7a_100000210253_100000211436 [0,0,0,0,1,0|3,0,0]=4 4965 B14R1.169 CCCCCOCC(=O)c1ccsc1 34a_100000210253_100011219462 [0,0,0,0,1,0|3,0,0]=4 4966 B14R1.169 CCCCCOCC(=O)c1ccsc1 7a_100000210253_100011219462 [0,0,0,0,1,0|3,0,0]=4 4967 B14R1.169 CCCCCSCC(=O)c1ccc[nH]1 62a_100000210326_200011262396 [0,0,0,0,1,0|3,0,0]=4 4968 B14R1.169 CCCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210326 [0,0,0,0,1,0|3,0,0]=4 4969 B14R1.169 CCCCCSCC(=O)c1ccco1 62a_100000210326_100000211439 [0,0,0,0,1,0|3,0,0]=4 4970 B14R1.169 CCCCCSCC(=O)c1ccco1 62a_100000211439_100000210326 [0,0,0,0,1,0|3,0,0]=4 4971 B14R1.169 CCCCCSCC(=O)c1cccs1 62a_100000210326_100000211436 [0,0,0,0,1,0|3,0,0]=4 4972 B14R1.169 CCCCCSCC(=O)c1cccs1 62a_100000211436_100000210326 [0,0,0,0,1,0|3,0,0]=4 4973 B14R1.169 CCCCCSCC(=O)c1ccsc1 62a_100000210326_100011219462 [0,0,0,0,1,0|3,0,0]=4 4974 B14R1.169 CCCCCSCC(=O)c1ccsc1 62a_100011219462_100000210326 [0,0,0,0,1,0|3,0,0]=4 4975 B14R1.169 CCCCNCCC(=O)c1cccs1 2230a_100000102301_100011290775 [0,0,0,0,1,0|3,0,0]=4 4976 B14R1.169 CCCCNCCC(=O)c1cccs1 7a_106832991798_100011290775 [0,0,0,0,1,0|3,0,0]=4 4977 B14R1.169 CCCCOCCC(=O)c1cccs1 7a_100000210227_100011290775 [0,0,0,0,1,0|3,0,0]=4 4978 B14R1.169 CCCCSCCC(=O)c1cccs1 62a_100000210211_100011290775 [0,0,0,0,1,0|3,0,0]=4 4979 B14R1.169 CCCCSCCC(=O)c1cccs1 62a_100011290775_100000210210 [0,0,0,0,1,0|3,0,0]=4 4980 B14R1.169 CCNCCCNC(=O)c1ccco1 34a_100025751042_100000210202 [0,0,0,0,1,0|3,0,0]=4 4981 B16R1.693 C#CCCCCCC(=O)Cc1ccccc1 1458a_100000694772_100015291786 [0,0,0,0,0,1|1,0,2]=4 4982 B16R1.693 C#CCCCCCC(=O)Nc1ccccc1 11a_100000106764_100000694772 [0,0,0,0,0,1|1,0,2]=4 4983 B16R1.693 C#CCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000694772 [0,0,0,0,0,1|1,0,2]=4 4984 B16R1.693 C#CCCCCCC(=O)Nc1ccccc1 22a_100000106764_100000694772 [0,0,0,0,0,1|1,0,2]=4 4985 B16R1.693 C#CCCCCCC(=O)Nc1ccccc1 527a_100000106764_100000694772 [0,0,0,0,0,1|1,0,2]=4 4986 B16R1.693 C#CCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000706060 [0,0,0,0,0,1|1,0,2]=4 4987 B16R1.693 C=CCCCCCC(=O)Cc1ccccc1 1458a_100011934241_100015291786 [0,0,0,0,0,1|1,0,2]=4 4988 B16R1.693 C=CCCCCCC(=O)Nc1ccccc1 11a_100000106764_100011934241 [0,0,0,0,0,1|1,0,2]=4 4989 B16R1.693 C=CCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100011934241 [0,0,0,0,0,1|1,0,2]=4 4990 B16R1.693 C=CCCCCCC(=O)Nc1ccccc1 22a_100000106764_100011934241 [0,0,0,0,0,1|1,0,2]=4 4991 B16R1.693 C=CCCCCCC(=O)Nc1ccccc1 527a_100000106764_100011934241 [0,0,0,0,0,1|1,0,2]=4 4992 B16R1.693 C=CCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000703577 [0,0,0,0,0,1|1,0,2]=4 4993 B16R1.693 CC(Cc1ccccc1)OCCCCCBr 34a_100000746331_200011218536 [0,0,0,0,0,1|2,0,1]=4 4994 B16R1.693 CC(Cc1ccccc1)OCCCCCBr 7a_100000746331_200011218536 [0,0,0,0,0,1|2,0,1]=4 4995 B16R1.693 CC(Cc1ccccc1)OCCCCCCl 34a_100000746330_200011218536 [0,0,0,0,0,1|2,0,1]=4 4996 B16R1.693 CC(Cc1ccccc1)OCCCCCCl 7a_100000746330_200011218536 [0,0,0,0,0,1|2,0,1]=4 4997 B16R1.693 CC(Cc1ccccc1)OCCCCCF 34a_100000748627_100000729378 [0,0,0,0,0,1|2,0,1]=4 4998 B16R1.693 CC(Cc1ccccc1)OCCCCCF 7a_100000748627_100000729378 [0,0,0,0,0,1|2,0,1]=4 4999 B16R1.693 CC(Cc1ccccc1)OCCCCCI 34a_200012148887_200011218536 [0,0,0,0,0,1|2,0,1]=4 5000 B16R1.693 CC(Cc1ccccc1)OCCCCCI 7a_200012148887_200011218536 [0,0,0,0,0,1|2,0,1]=4 5001 B16R1.693 CC(Cc1ccccc1)OCCCCCN 34a_100000762737_200011218536 [0,0,0,0,0,1|2,0,1]=4 5002 B16R1.693 CC(Cc1ccccc1)OCCCCCO 34a_100000748627_100000746330 [0,0,0,0,0,1|2,0,1]=4 5003 B16R1.693 CC(Cc1ccccc1)OCCCCCO 7a_100000748627_100000746330 [0,0,0,0,0,1|2,0,1]=4 5004 B16R1.693 CCCC/C=C/CC(=O)Cc1ccccc1 1458a_200016282684_100015291786 [0,0,0,0,0,1|1,0,2]=4 5005 B16R1.693 CCCC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_200016282684 [0,0,0,0,0,1|1,0,2]=4 5006 B16R1.693 CCCC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_200016282684 [0,0,0,0,0,1|1,0,2]=4 5007 B16R1.693 CCCC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_200016282684 [0,0,0,0,0,1|1,0,2]=4 5008 B16R1.693 CCCC/C=C/CC(=O)Nc1ccccc1 527a_100000106764_200016282684 [0,0,0,0,0,1|1,0,2]=4 5009 B16R1.693 CCCCC=NNC(=O)Cc1ccccc1 4a_100000182964_100000210104 [0,0,0,0,0,1|2,0,1]=4 5010 B16R1.693 CCCCCC#CC(=O)Cc1ccccc1 1458a_100011215388_100015291786 [0,0,0,0,0,1|1,0,1]=3 5011 B16R1.693 CCCCCC#CC(=O)Cc1ccccn1 1458a_100011215388_100000721315 [0,0,0,0,0,1|2,0,1]=4 5012 B16R1.693 CCCCCC#CC(=O)Cc1cccnc1 1458a_100011215388_100000733263 [0,0,0,0,0,1|2,0,1]=4 5013 B16R1.693 CCCCCC#CC(=O)Cc1ccncc1 1458a_100011215388_100000705612 [0,0,0,0,0,1|2,0,1]=4 5014 B16R1.693 CCCCCC#CC(=O)Nc1ccccc1 22a_100000106764_100011215388 [0,0,0,0,0,1|1,0,1]=3 5015 B16R1.693 CCCCCC=CC(=O)Cc1ccccc1 1458a_100016263427_100015291786 [0,0,0,0,0,1|1,0,1]=3 5016 B16R1.693 CCCCCC=CC(=O)Cc1ccccn1 1458a_100016263427_100000721315 [0,0,0,0,0,1|2,0,1]=4 5017 B16R1.693 CCCCCC=CC(=O)Cc1cccnc1 1458a_100016263427_100000733263 [0,0,0,0,0,1|2,0,1]=4 5018 B16R1.693 CCCCCC=CC(=O)Cc1ccncc1 1458a_100016263427_100000705612 [0,0,0,0,0,1|2,0,1]=4 5019 B16R1.693 CCCCCC=CC(=O)Nc1ccccc1 11a_100000106764_100016263427 [0,0,0,0,0,1|1,0,1]=3 5020 B16R1.693 CCCCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100016263427 [0,0,0,0,0,1|1,0,1]=3 5021 B16R1.693 CCCCCC=CC(=O)Nc1ccccc1 22a_100000106764_100016263427 [0,0,0,0,0,1|1,0,1]=3 5022 B16R1.693 CCCCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210614 [0,0,0,0,0,1|2,0,0]=3 5023 B16R1.693 CCCCCCCC(=O)Cc1ccccc1 1458a_100000211969_100015291786 [0,0,0,0,0,1|1,0,0]=2 5024 B16R1.693 CCCCCCCC(=O)Cc1ccccn1 1458a_100000211969_100000721315 [0,0,0,0,0,1|2,0,0]=3 5025 B16R1.693 CCCCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210614 [0,0,0,0,0,1|2,0,0]=3 5026 B16R1.693 CCCCCCCC(=O)Cc1cccnc1 1458a_100000211969_100000733263 [0,0,0,0,0,1|2,0,0]=3 5027 B16R1.693 CCCCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210614 [0,0,0,0,0,1|2,0,0]=3 5028 B16R1.693 CCCCCCCC(=O)Cc1cccnn1 1458a_100000211969_100016990269 [0,0,0,0,0,1|3,0,0]=4 5029 B16R1.693 CCCCCCCC(=O)Cc1ccncc1 1458a_100000211969_100000705612 [0,0,0,0,0,1|2,0,0]=3 5030 B16R1.693 CCCCCCCC(=O)Cc1cnccn1 1458a_100000211969_100016995436 [0,0,0,0,0,1|3,0,0]=4 5031 B16R1.693 CCCCCCCC(=O)Cc1cncnc1 1458a_100000211969_100015196519 [0,0,0,0,0,1|3,0,0]=4 5032 B16R1.693 CCCCCCCC(=O)Cc1cncnc1 1458a_100000721575_100000210614 [0,0,0,0,0,1|3,0,0]=4 5033 B16R1.693 CCCCCCCC(=O)Cc1ncccn1 1458a_100000211969_100000703007 [0,0,0,0,0,1|3,0,0]=4 5034 B16R1.693 CCCCCCCC(=O)Nc1ccccc1 11a_100000106764_100000211969 [0,0,0,0,0,1|1,0,0]=2 5035 B16R1.693 CCCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000211969 [0,0,0,0,0,1|1,0,0]=2 5036 B16R1.693 CCCCCCCC(=O)Nc1ccccc1 22a_100000106764_100000211969 [0,0,0,0,0,1|1,0,0]=2 5037 B16R1.693 CCCCCCCC(=O)Nc1ccccc1 527a_100000106764_100000211969 [0,0,0,0,0,1|1,0,0]=2 5038 B16R1.693 CCCCCCCC(C)Nc1ccccc1 34a_100000106764_200011218727 [0,0,0,0,0,1|2,0,1]=4 5039 B16R1.693 CCCCCCCC(C)Oc1ccccc1 34a_100000210340_200011218727 [0,0,0,0,0,1|2,0,1]=4 5040 B16R1.693 CCCCCCCC(C)Oc1ccccc1 7a_100000210340_200011218727 [0,0,0,0,0,1|2,0,1]=4 5041 B16R1.693 CCCCCCCC(C)Sc1ccccc1 62a_100000719477_200011218727 [0,0,0,0,0,1|2,0,1]=4 5042 B16R1.693 CCCCCCCC(C)Sc1ccccc1 62a_200011218727_100000041952 [0,0,0,0,0,1|2,0,1]=4 5043 B16R1.693 CCCCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210681 [0,0,0,0,0,1|3,0,0]=4 5044 B16R1.693 CCCCCCCN(C)Cc1ccccc1 2230a_100000228206_100015291786 [0,0,0,0,0,1|3,0,0]=4 5045 B16R1.693 CCCCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210681 [0,0,0,0,0,1|3,0,0]=4 5046 B16R1.693 CCCCCCCN(C)Cc1ccccc1 269982a_100000228206_100000211182 [0,0,0,0,0,1|3,0,0]=4 5047 B16R1.693 CCCCCCCN(C)Cc1ccccc1 270004a_100000228206_100015611070 [0,0,0,0,0,1|3,0,0]=4 5048 B16R1.693 CCCCCCNC(=O)C[n+]1ccccc1 11a_100000210581_200000086051 [0,0,0,0,0,1|2,0,0]=3 5049 B16R1.693 CCCCCCNC(=O)C[n+]1ccccc1 240690a_100000210581_200000086051 [0,0,0,0,0,1|2,0,0]=3 5050 B16R1.693 CCCCCCNC(=O)C[n+]1ccccc1 527a_100000210581_200000086051 [0,0,0,0,0,1|2,0,0]=3 5051 B16R1.693 CCCCCCNC(=O)Cc1ccccn1 11a_100000210581_100000233486 [0,0,0,0,0,1|2,0,0]=3 5052 B16R1.693 CCCCCCNC(=O)Cc1cccnc1 11a_100000210581_100000737805 [0,0,0,0,0,1|2,0,0]=3 5053 B16R1.693 CCCCCCNC(=O)Cc1cccnc1 240690a_100000210581_100000737805 [0,0,0,0,0,1|2,0,0]=3 5054 B16R1.693 CCCCCCNC(=O)Cc1cccnc1 527a_100000210581_100000737805 [0,0,0,0,0,1|2,0,0]=3 5055 B16R1.693 CCCCCCNC(=O)Cc1ccncc1 11a_100000210581_100011201483 [0,0,0,0,0,1|2,0,0]=3 5056 B16R1.693 CCCCCCNC(=O)Cc1ccncc1 240690a_100000210581_100011201483 [0,0,0,0,0,1|2,0,0]=3 5057 B16R1.693 CCCCCCNC(=O)Cc1cnccn1 11a_100000210581_100000726051 [0,0,0,0,0,1|3,0,0]=4 5058 B16R1.693 CCCCCCNC(=O)Cc1cnccn1 240690a_100000210581_100000726051 [0,0,0,0,0,1|3,0,0]=4 5059 B16R1.693 CCCCCCNC(=O)Cc1cnccn1 527a_100000210581_100000726051 [0,0,0,0,0,1|3,0,0]=4 5060 B16R1.693 CCCCCCNC(=O)Cc1cncnc1 11a_100000210581_100000721575 [0,0,0,0,0,1|3,0,0]=4 5061 B16R1.693 CCCCCCNC(=O)Cc1cncnc1 240690a_100000210581_100000721575 [0,0,0,0,0,1|3,0,0]=4 5062 B16R1.693 CCCCCCNC(=O)Cc1cncnc1 527a_100000210581_100000721575 [0,0,0,0,0,1|3,0,0]=4 5063 B16R1.693 CCCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000210581 [0,0,0,0,0,1|1,0,0]=2 5064 B16R1.693 CCCCCCOC(C)Cc1ccccc1 34a_100000210259_200011218536 [0,0,0,0,0,1|1,0,1]=3 5065 B16R1.693 CCCCCCOC(C)Cc1ccccc1 34a_100000748627_100000210314 [0,0,0,0,0,1|1,0,1]=3 5066 B16R1.693 CCCCCCOC(C)Cc1ccccc1 7a_100000210259_200011218536 [0,0,0,0,0,1|1,0,1]=3 5067 B16R1.693 CCCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210314 [0,0,0,0,0,1|1,0,1]=3 5068 B16R1.693 CCCCCCSC(C)Cc1ccccc1 62a_100000210314_200011218536 [0,0,0,0,0,1|1,1,1]=4 5069 B16R1.693 CCCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210757 [0,0,0,0,0,1|1,1,1]=4 5070 B16R1.693 CCCCCNCC(=O)Cc1ccccc1 2230a_100000209983_100000233483 [0,0,0,0,0,1|2,0,0]=3 5071 B16R1.693 CCCCCNCC(=O)Nc1ccccc1 2230a_100000209983_100000182850 [0,0,0,0,0,1|2,0,0]=3 5072 B16R1.693 CCCCCNCC(=O)Nc1ccccn1 2230a_100000209983_100020662008 [0,0,0,0,0,1|3,0,0]=4 5073 B16R1.693 CCCCCNCC(=O)Nc1ccncc1 2230a_100000209983_100000754145 [0,0,0,0,0,1|3,0,0]=4 5074 B16R1.693 CCCCCNCC(=O)Oc1ccccc1 2230a_100000209983_100009813826 [0,0,0,0,0,1|2,0,0]=3 5075 B16R1.693 CCCCCNNC(=O)C[n+]1ccccc1 22a_100000694160_200000086051 [0,0,0,0,0,1|3,0,0]=4 5076 B16R1.693 CCCCCNNC(=O)Cc1ccccn1 22a_100000694160_100000233486 [0,0,0,0,0,1|3,0,0]=4 5077 B16R1.693 CCCCCNNC(=O)Cc1cccnc1 22a_100000694160_100000737805 [0,0,0,0,0,1|3,0,0]=4 5078 B16R1.693 CCCCCNNC(=O)Cc1ccncc1 22a_100000694160_100011201483 [0,0,0,0,0,1|3,0,0]=4 5079 B16R1.693 CCCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000718602 [0,0,0,0,0,1|3,0,0]=4 5080 B16R1.693 CCCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210326 [0,0,0,0,0,1|3,0,0]=4 5081 B16R1.693 CCCCCOCC(=O)Cc1ccccc1 7a_100000210253_100000233483 [0,0,0,0,0,1|2,0,0]=3 5082 B16R1.693 CCCCCOCC(=O)Nc1ccccc1 34a_100000210253_100000182850 [0,0,0,0,0,1|2,0,0]=3 5083 B16R1.693 CCCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000718602 [0,0,0,0,0,1|2,0,0]=3 5084 B16R1.693 CCCCCOCC(=O)Nc1ccccc1 7a_100000210253_100000182850 [0,0,0,0,0,1|2,0,0]=3 5085 B16R1.693 CCCCCOCC(=O)Nc1ccccn1 7a_100000210253_100020662008 [0,0,0,0,0,1|3,0,0]=4 5086 B16R1.693 CCCCCOCC(=O)Nc1ccncc1 7a_100000210253_100000754145 [0,0,0,0,0,1|3,0,0]=4 5087 B16R1.693 CCCCCOCC(=O)Oc1ccccc1 34a_100000210253_100009813826 [0,0,0,0,0,1|2,0,0]=3 5088 B16R1.693 CCCCCOCC(=O)Oc1ccccc1 7a_100000210253_100009813826 [0,0,0,0,0,1|2,0,0]=3 5089 B16R1.693 CCCCCSCC(=O)Cc1ccccc1 62a_100000210326_100000233483 [0,0,0,0,0,1|2,0,0]=3 5090 B16R1.693 CCCCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210326 [0,0,0,0,0,1|2,0,0]=3 5091 B16R1.693 CCCCCSCC(=O)Nc1ccccc1 62a_100000210326_100000182850 [0,0,0,0,0,1|2,0,0]=3 5092 B16R1.693 CCCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210326 [0,0,0,0,0,1|2,0,0]=3 5093 B16R1.693 CCCCCSCC(=O)Nc1ccccn1 62a_100000210326_100020662008 [0,0,0,0,0,1|3,0,0]=4 5094 B16R1.693 CCCCCSCC(=O)Nc1ccccn1 62a_100020662008_100000210326 [0,0,0,0,0,1|3,0,0]=4 5095 B16R1.693 CCCCCSCC(=O)Nc1ccncc1 62a_100000210326_100000754145 [0,0,0,0,0,1|3,0,0]=4 5096 B16R1.693 CCCCCSCC(=O)Oc1ccccc1 62a_100000210326_100009813826 [0,0,0,0,0,1|2,0,0]=3 5097 B16R1.693 CCCCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210326 [0,0,0,0,0,1|2,0,0]=3 5098 B16R1.693 CCCCNCCC(=O)Nc1ccccc1 2230a_100000102301_100000242058 [0,0,0,0,0,1|2,0,0]=3 5099 B16R1.693 CCCCNCCC(=O)Nc1ccccc1 7a_106832991798_100000242058 [0,0,0,0,0,1|2,0,0]=3 5100 B16R1.693 CCCCNCCC(=O)Nc1cccnc1 2230a_100000102301_200015187043 [0,0,0,0,0,1|3,0,0]=4 5101 B16R1.693 CCCCNCCC(=O)Nc1cccnc1 34a_100000748795_100000210210 [0,0,0,0,0,1|3,0,0]=4 5102 B16R1.693 CCCCNCCC(=O)Nc1cccnc1 7a_106832991798_200015187043 [0,0,0,0,0,1|3,0,0]=4 5103 B16R1.693 CCCCNCCC(=O)Oc1ccccc1 2230a_100000102301_200000035796 [0,0,0,0,0,1|2,0,0]=3 5104 B16R1.693 CCCCNCCC(=O)Oc1ccccc1 7a_106832991798_200000035796 [0,0,0,0,0,1|2,0,0]=3 5105 B16R1.693 CCCCOCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000743108 [0,0,0,0,0,1|3,0,0]=4 5106 B16R1.693 CCCCOCCC(=O)Cc1ccccn1 1458a_100000233486_100000743108 [0,0,0,0,0,1|3,0,0]=4 5107 B16R1.693 CCCCOCCC(=O)Cc1cccnc1 1458a_100000737805_100000743108 [0,0,0,0,0,1|3,0,0]=4 5108 B16R1.693 CCCCOCCC(=O)Nc1ccccc1 34a_100000210227_100000242058 [0,0,0,0,0,1|2,0,0]=3 5109 B16R1.693 CCCCOCCC(=O)Nc1ccccc1 7a_100000210227_100000242058 [0,0,0,0,0,1|2,0,0]=3 5110 B16R1.693 CCCCOCCC(=O)Nc1cccnc1 7a_100000210227_200015187043 [0,0,0,0,0,1|3,0,0]=4 5111 B16R1.693 CCCCOCCC(=O)Oc1ccccc1 7a_100000210227_200000035796 [0,0,0,0,0,1|2,0,0]=3 5112 B16R1.693 CCCCOCOC(C)Cc1ccccc1 34a_100000748627_100011995733 [0,0,0,0,0,1|2,0,1]=4 5113 B16R1.693 CCCCSCCC(=O)Nc1ccccc1 62a_100000210211_100000242058 [0,0,0,0,0,1|2,0,0]=3 5114 B16R1.693 CCCCSCCC(=O)Nc1cccnc1 62a_100000210211_200015187043 [0,0,0,0,0,1|3,0,0]=4 5115 B16R1.693 CCCCSCCC(=O)Oc1ccccc1 62a_100000210211_200000035796 [0,0,0,0,0,1|2,0,0]=3 5116 B16R1.693 CCCNCCCC(=O)Nc1ccccc1 34a_100000750157_100000210303 [0,0,0,0,0,1|2,0,0]=3 5117 B16R1.693 CCCOCCCC(=O)Nc1ccccc1 34a_100000210258_100011194425 [0,0,0,0,0,1|2,0,0]=3 5118 B16R1.693 CCCOCCNC(=O)C[n+]1ccccc1 240690a_100161115042_200000086051 [0,0,0,0,0,1|3,0,0]=4 5119 B16R1.693 CCCOCCNC(=O)C[n+]1ccccc1 527a_100161115042_200000086051 [0,0,0,0,0,1|3,0,0]=4 5120 B16R1.693 CCCOCCNC(=O)Cc1cccnc1 240690a_100161115042_100000737805 [0,0,0,0,0,1|3,0,0]=4 5121 B16R1.693 CCCOCCNC(=O)Cc1cccnc1 527a_100161115042_100000737805 [0,0,0,0,0,1|3,0,0]=4 5122 B16R1.693 CCCOCCNC(=O)Cc1ccncc1 240690a_100161115042_100011201483 [0,0,0,0,0,1|3,0,0]=4 5123 B16R1.693 CCCOCCNC(=O)Nc1ccccc1 2430a_100000106764_100161115042 [0,0,0,0,0,1|2,0,0]=3 5124 B16R1.693 CCCOCCOC(C)Cc1ccccc1 34a_100000748627_100011215938 [0,0,0,0,0,1|2,0,1]=4 5125 B16R1.693 CCCOCCOC(C)Cc1ccccc1 34a_100000752267_200011218536 [0,0,0,0,0,1|2,0,1]=4 5126 B16R1.693 CCCOCCOC(C)Cc1ccccc1 7a_100000748627_100011215938 [0,0,0,0,0,1|2,0,1]=4 5127 B16R1.693 CCCOCCOC(C)Cc1ccccc1 7a_100000752267_200011218536 [0,0,0,0,0,1|2,0,1]=4 5128 B16R1.693 CCCSCCCC(=O)Nc1ccccc1 62a_100000210303_100011194425 [0,0,0,0,0,1|2,0,0]=3 5129 B16R1.693 CCCSCCNC(=O)C[n+]1ccccc1 11a_100020603323_200000086051 [0,0,0,0,0,1|3,0,0]=4 5130 B16R1.693 CCCSCCNC(=O)C[n+]1ccccc1 240690a_100020603323_200000086051 [0,0,0,0,0,1|3,0,0]=4 5131 B16R1.693 CCCSCCNC(=O)C[n+]1ccccc1 527a_100020603323_200000086051 [0,0,0,0,0,1|3,0,0]=4 5132 B16R1.693 CCCSCCNC(=O)Cc1ccccn1 11a_100020603323_100000233486 [0,0,0,0,0,1|3,0,0]=4 5133 B16R1.693 CCCSCCNC(=O)Cc1cccnc1 11a_100020603323_100000737805 [0,0,0,0,0,1|3,0,0]=4 5134 B16R1.693 CCCSCCNC(=O)Cc1cccnc1 240690a_100020603323_100000737805 [0,0,0,0,0,1|3,0,0]=4 5135 B16R1.693 CCCSCCNC(=O)Cc1cccnc1 527a_100020603323_100000737805 [0,0,0,0,0,1|3,0,0]=4 5136 B16R1.693 CCCSCCNC(=O)Cc1ccncc1 11a_100020603323_100011201483 [0,0,0,0,0,1|3,0,0]=4 5137 B16R1.693 CCCSCCNC(=O)Cc1ccncc1 240690a_100020603323_100011201483 [0,0,0,0,0,1|3,0,0]=4 5138 B16R1.693 CCCSCCNC(=O)Nc1ccccc1 2430a_100000106764_100020603323 [0,0,0,0,0,1|2,0,0]=3 5139 B16R1.693 CCCSCCOC(C)Cc1ccccc1 34a_200000230433_200011218536 [0,0,0,0,0,1|2,0,1]=4 5140 B16R1.693 CCCSCCOC(C)Cc1ccccc1 7a_200000230433_200011218536 [0,0,0,0,0,1|2,0,1]=4 5141 B16R1.693 CCOCCCNC(=O)C[n+]1ccccc1 11a_100000210961_200000086051 [0,0,0,0,0,1|3,0,0]=4 5142 B16R1.693 CCOCCCNC(=O)C[n+]1ccccc1 240690a_100000210961_200000086051 [0,0,0,0,0,1|3,0,0]=4 5143 B16R1.693 CCOCCCNC(=O)C[n+]1ccccc1 527a_100000210961_200000086051 [0,0,0,0,0,1|3,0,0]=4 5144 B16R1.693 CCOCCCNC(=O)Cc1ccccn1 11a_100000210961_100000233486 [0,0,0,0,0,1|3,0,0]=4 5145 B16R1.693 CCOCCCNC(=O)Cc1cccnc1 11a_100000210961_100000737805 [0,0,0,0,0,1|3,0,0]=4 5146 B16R1.693 CCOCCCNC(=O)Cc1cccnc1 240690a_100000210961_100000737805 [0,0,0,0,0,1|3,0,0]=4 5147 B16R1.693 CCOCCCNC(=O)Cc1cccnc1 527a_100000210961_100000737805 [0,0,0,0,0,1|3,0,0]=4 5148 B16R1.693 CCOCCCNC(=O)Cc1ccncc1 11a_100000210961_100011201483 [0,0,0,0,0,1|3,0,0]=4 5149 B16R1.693 CCOCCCNC(=O)Cc1ccncc1 240690a_100000210961_100011201483 [0,0,0,0,0,1|3,0,0]=4 5150 B16R1.693 CCOCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000210961 [0,0,0,0,0,1|2,0,0]=3 5151 B16R1.693 CCOCCCOC(C)Cc1ccccc1 34a_100000748627_100012232248 [0,0,0,0,0,1|2,0,1]=4 5152 B16R1.693 CCOCCCOC(C)Cc1ccccc1 34a_100000757476_200011218536 [0,0,0,0,0,1|2,0,1]=4 5153 B16R1.693 CCOCCCOC(C)Cc1ccccc1 7a_100000748627_100012232248 [0,0,0,0,0,1|2,0,1]=4 5154 B16R1.693 CCOCCCOC(C)Cc1ccccc1 7a_100000757476_200011218536 [0,0,0,0,0,1|2,0,1]=4 5155 B16R1.693 CCOCCNCC(=O)Cc1ccccc1 2230a_102516460346_100000233483 [0,0,0,0,0,1|3,0,0]=4 5156 B16R1.693 CCOCCNCC(=O)Nc1ccccc1 2230a_102516460346_100000182850 [0,0,0,0,0,1|3,0,0]=4 5157 B16R1.693 CCOCCNCC(=O)Nc1ccccc1 34a_102516460346_100000182850 [0,0,0,0,0,1|3,0,0]=4 5158 B16R1.693 CCOCCNCC(=O)Oc1ccccc1 2230a_102516460346_100009813826 [0,0,0,0,0,1|3,0,0]=4 5159 B16R1.693 CCOCCNCC(=O)Oc1ccccc1 34a_102516460346_100009813826 [0,0,0,0,0,1|3,0,0]=4 5160 B16R1.693 CCOCCOCC(=O)Cc1ccccc1 7a_100000210136_100000233483 [0,0,0,0,0,1|3,0,0]=4 5161 B16R1.693 CCOCCOCC(=O)Nc1ccccc1 34a_100000210136_100000182850 [0,0,0,0,0,1|3,0,0]=4 5162 B16R1.693 CCOCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210147 [0,0,0,0,0,1|3,0,0]=4 5163 B16R1.693 CCOCCOCC(=O)Nc1ccccc1 7a_100000210136_100000182850 [0,0,0,0,0,1|3,0,0]=4 5164 B16R1.693 CCOCCOCC(=O)Oc1ccccc1 34a_100000210136_100009813826 [0,0,0,0,0,1|3,0,0]=4 5165 B16R1.693 CCOCCOCC(=O)Oc1ccccc1 7a_100000210136_100009813826 [0,0,0,0,0,1|3,0,0]=4 5166 B16R1.693 CCOCCSCC(=O)Cc1ccccc1 62a_100000210147_100000233483 [0,0,0,0,0,1|3,0,0]=4 5167 B16R1.693 CCOCCSCC(=O)Cc1ccccc1 62a_100000233483_100011215890 [0,0,0,0,0,1|3,0,0]=4 5168 B16R1.693 CCOCCSCC(=O)Nc1ccccc1 62a_100000210147_100000182850 [0,0,0,0,0,1|3,0,0]=4 5169 B16R1.693 CCOCCSCC(=O)Nc1ccccc1 62a_100012148978_100011215890 [0,0,0,0,0,1|3,0,0]=4 5170 B16R1.693 CCOCCSCC(=O)Oc1ccccc1 62a_100000210147_100009813826 [0,0,0,0,0,1|3,0,0]=4 5171 B16R1.693 CCOCCSCC(=O)Oc1ccccc1 62a_100009813826_100011215890 [0,0,0,0,0,1|3,0,0]=4 5172 B16R1.693 CCOCSCCC(=O)Nc1ccccc1 62a_100000739092_100000242058 [0,0,0,0,0,1|3,0,0]=4 5173 B16R1.693 CCOCSCCC(=O)Oc1ccccc1 62a_100000739092_200000035796 [0,0,0,0,0,1|3,0,0]=4 5174 B16R1.693 CCSCCCOC(C)Cc1ccccc1 34a_100011216438_200011218536 [0,0,0,0,0,1|2,0,1]=4 5175 B16R1.693 CCSCCCOC(C)Cc1ccccc1 7a_100011216438_200011218536 [0,0,0,0,0,1|2,0,1]=4 5176 B16R1.693 CCSCCNCC(=O)Cc1ccccc1 2230a_100000106463_100000233483 [0,0,0,0,0,1|3,0,0]=4 5177 B16R1.693 CCSCCNCC(=O)Nc1ccccc1 2230a_100000106463_100000182850 [0,0,0,0,0,1|3,0,0]=4 5178 B16R1.693 CCSCCNCC(=O)Oc1ccccc1 2230a_100000106463_100009813826 [0,0,0,0,0,1|3,0,0]=4 5179 B16R1.693 CCSCCOCC(=O)Cc1ccccc1 7a_100000212035_100000233483 [0,0,0,0,0,1|3,0,0]=4 5180 B16R1.693 CCSCCOCC(=O)Nc1ccccc1 34a_100000212035_100000182850 [0,0,0,0,0,1|3,0,0]=4 5181 B16R1.693 CCSCCOCC(=O)Nc1ccccc1 34a_100000246334_100000757381 [0,0,0,0,0,1|3,0,0]=4 5182 B16R1.693 CCSCCOCC(=O)Nc1ccccc1 7a_100000212035_100000182850 [0,0,0,0,0,1|3,0,0]=4 5183 B16R1.693 CCSCCOCC(=O)Oc1ccccc1 34a_100000212035_100009813826 [0,0,0,0,0,1|3,0,0]=4 5184 B16R1.693 CCSCCOCC(=O)Oc1ccccc1 7a_100000212035_100009813826 [0,0,0,0,0,1|3,0,0]=4 5185 B16R1.693 CCSCCSCC(=O)Cc1ccccc1 62a_100000233483_100000757381 [0,0,0,0,0,1|3,0,0]=4 5186 B16R1.693 CCSCCSCC(=O)Cc1ccccc1 62a_100000757381_100000233483 [0,0,0,0,0,1|3,0,0]=4 5187 B16R1.693 CCSCCSCC(=O)Nc1ccccc1 62a_100000757381_100000182850 [0,0,0,0,0,1|3,0,0]=4 5188 B16R1.693 CCSCCSCC(=O)Nc1ccccc1 62a_100012148978_100000757381 [0,0,0,0,0,1|3,0,0]=4 5189 B16R1.693 CCSCCSCC(=O)Oc1ccccc1 62a_100000757381_100009813826 [0,0,0,0,0,1|3,0,0]=4 5190 B16R1.693 CCSCCSCC(=O)Oc1ccccc1 62a_100009813826_100000757381 [0,0,0,0,0,1|3,0,0]=4 5191 B16R1.693 CNCCCOCC(=O)Nc1ccccc1 34a_100000213112_100000182850 [0,0,0,0,0,1|3,0,0]=4 5192 B16R1.693 CNCCCOCC(=O)Oc1ccccc1 34a_100000213112_100009813826 [0,0,0,0,0,1|3,0,0]=4 5193 B16R1.693 COCCCCCC(=O)Cc1ccccc1 1458a_100011935119_100015291786 [0,0,0,0,0,1|2,0,0]=3 5194 B16R1.693 COCCCCCC(=O)Cc1ccccn1 1458a_100011935119_100000721315 [0,0,0,0,0,1|3,0,0]=4 5195 B16R1.693 COCCCCCC(=O)Cc1cccnc1 1458a_100011935119_100000733263 [0,0,0,0,0,1|3,0,0]=4 5196 B16R1.693 COCCCCCC(=O)Cc1ccncc1 1458a_100011935119_100000705612 [0,0,0,0,0,1|3,0,0]=4 5197 B16R1.693 COCCCCCC(=O)Nc1ccccc1 11a_100000106764_100011935119 [0,0,0,0,0,1|2,0,0]=3 5198 B16R1.693 COCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100011935119 [0,0,0,0,0,1|2,0,0]=3 5199 B16R1.693 COCCCCCC(=O)Nc1ccccc1 22a_100000106764_100011935119 [0,0,0,0,0,1|2,0,0]=3 5200 B16R1.693 COCCCCCC(=O)Nc1ccccc1 527a_100000106764_100011935119 [0,0,0,0,0,1|2,0,0]=3 5201 B16R1.693 COCCCCOC(C)Cc1ccccc1 34a_100000740925_200011218536 [0,0,0,0,0,1|2,0,1]=4 5202 B16R1.693 COCCCCOC(C)Cc1ccccc1 34a_100000748627_100000755781 [0,0,0,0,0,1|2,0,1]=4 5203 B16R1.693 COCCCCOC(C)Cc1ccccc1 7a_100000748627_100000730899 [0,0,0,0,0,1|2,0,1]=4 5204 B16R1.693 COCCCNCC(=O)Nc1ccccc1 34a_100150723488_100000182850 [0,0,0,0,0,1|3,0,0]=4 5205 B16R1.693 COCCCNCC(=O)Oc1ccccc1 34a_100150723488_100009813826 [0,0,0,0,0,1|3,0,0]=4 5206 B16R1.693 COCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000740836 [0,0,0,0,0,1|3,0,0]=4 5207 B16R1.693 COCCCOCC(=O)Nc1ccccc1 34a_100000740835_100000182850 [0,0,0,0,0,1|3,0,0]=4 5208 B16R1.693 COCCCOCC(=O)Oc1ccccc1 34a_100000740835_100009813826 [0,0,0,0,0,1|3,0,0]=4 5209 B16R1.693 COCCCSCC(=O)Cc1ccccc1 62a_100000233483_100000709357 [0,0,0,0,0,1|3,0,0]=4 5210 B16R1.693 COCCCSCC(=O)Cc1ccccc1 62a_100000709357_100000233483 [0,0,0,0,0,1|3,0,0]=4 5211 B16R1.693 COCCCSCC(=O)Nc1ccccc1 62a_100000709357_100000182850 [0,0,0,0,0,1|3,0,0]=4 5212 B16R1.693 COCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000709357 [0,0,0,0,0,1|3,0,0]=4 5213 B16R1.693 COCCCSCC(=O)Oc1ccccc1 62a_100000709357_100009813826 [0,0,0,0,0,1|3,0,0]=4 5214 B16R1.693 COCCCSCC(=O)Oc1ccccc1 62a_100009813826_100000709357 [0,0,0,0,0,1|3,0,0]=4 5215 B16R1.693 COCCNCCC(=O)Nc1ccccc1 2230a_100000209980_100000242058 [0,0,0,0,0,1|3,0,0]=4 5216 B16R1.693 COCCNCCC(=O)Oc1ccccc1 2230a_100000209980_200000035796 [0,0,0,0,0,1|3,0,0]=4 5217 B16R1.693 COCCOCCC(=O)Cc1ccccc1 1458a_100000745395_100015291786 [0,0,0,0,0,1|3,0,0]=4 5218 B16R1.693 COCCOCCC(=O)Nc1ccccc1 11a_100000106764_100000745395 [0,0,0,0,0,1|3,0,0]=4 5219 B16R1.693 COCCOCCC(=O)Nc1ccccc1 1626a_100000106764_100000745395 [0,0,0,0,0,1|3,0,0]=4 5220 B16R1.693 COCCOCCC(=O)Nc1ccccc1 22a_100000106764_100000745395 [0,0,0,0,0,1|3,0,0]=4 5221 B16R1.693 COCCOCCC(=O)Nc1ccccc1 34a_100000210237_100000242058 [0,0,0,0,0,1|3,0,0]=4 5222 B16R1.693 COCCOCCC(=O)Nc1ccccc1 527a_100000106764_100000745395 [0,0,0,0,0,1|3,0,0]=4 5223 B16R1.693 COCCSCCC(=O)Nc1ccccc1 62a_100000233755_100000242058 [0,0,0,0,0,1|3,0,0]=4 5224 B16R1.693 COCCSCCC(=O)Oc1ccccc1 62a_100000233755_200000035796 [0,0,0,0,0,1|3,0,0]=4 5225 B16R1.693 COCSCCCC(=O)Nc1ccccc1 62a_100000766300_100011194425 [0,0,0,0,0,1|3,0,0]=4 5226 B16R1.693 CSCCCCOC(C)Cc1ccccc1 34a_100011217163_200011218536 [0,0,0,0,0,1|2,0,1]=4 5227 B16R1.693 CSCCCCOC(C)Cc1ccccc1 7a_100011217163_200011218536 [0,0,0,0,0,1|2,0,1]=4 5228 B16R1.693 CSCCCNCC(=O)Cc1ccccc1 2230a_100000749238_100000233483 [0,0,0,0,0,1|3,0,0]=4 5229 B16R1.693 CSCCCNCC(=O)Nc1ccccc1 2230a_100000749238_100000182850 [0,0,0,0,0,1|3,0,0]=4 5230 B16R1.693 CSCCCNCC(=O)Oc1ccccc1 2230a_100000749238_100009813826 [0,0,0,0,0,1|3,0,0]=4 5231 B16R1.693 CSCCCOCC(=O)Cc1ccccc1 7a_100000690336_100000233483 [0,0,0,0,0,1|3,0,0]=4 5232 B16R1.693 CSCCCOCC(=O)Nc1ccccc1 34a_100000690336_100000182850 [0,0,0,0,0,1|3,0,0]=4 5233 B16R1.693 CSCCCOCC(=O)Nc1ccccc1 7a_100000690336_100000182850 [0,0,0,0,0,1|3,0,0]=4 5234 B16R1.693 CSCCCOCC(=O)Oc1ccccc1 34a_100000690336_100009813826 [0,0,0,0,0,1|3,0,0]=4 5235 B16R1.693 CSCCCOCC(=O)Oc1ccccc1 7a_100000690336_100009813826 [0,0,0,0,0,1|3,0,0]=4 5236 B16R1.693 CSCCNCCC(=O)Nc1ccccc1 2230a_100020590264_100000242058 [0,0,0,0,0,1|3,0,0]=4 5237 B16R1.693 CSCCNCCC(=O)Oc1ccccc1 2230a_100020590264_200000035796 [0,0,0,0,0,1|3,0,0]=4 5238 B16R1.693 CSCCOCCC(=O)Nc1ccccc1 34a_100000230434_100000242058 [0,0,0,0,0,1|3,0,0]=4 5239 B16R1.693 CSCCOCCC(=O)Nc1ccccc1 7a_100000230434_100000242058 [0,0,0,0,0,1|3,0,0]=4 5240 B16R1.693 CSCCOCCC(=O)Oc1ccccc1 7a_100000230434_200000035796 [0,0,0,0,0,1|3,0,0]=4 5241 B16R1.693 CSCCSCCC(=O)Nc1ccccc1 62a_100000212216_100000242058 [0,0,0,0,0,1|3,0,0]=4 5242 B16R1.693 CSCCSCCC(=O)Oc1ccccc1 62a_100000212216_200000035796 [0,0,0,0,0,1|3,0,0]=4 5243 B16R1.693 CSCNCCCC(=O)Nc1ccccc1 34a_100000750157_100011218213 [0,0,0,0,0,1|3,0,0]=4 5244 B16R1.693 CSCSCCCC(=O)Nc1ccccc1 62a_100011218213_100011194425 [0,0,0,0,0,1|3,0,0]=4 5245 B16R1.693 N#CCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000751965 [0,0,0,0,0,1|2,0,1]=4 5246 B16R1.693 NCCCCOCC(=O)Nc1ccccc1 34a_100000750430_100000182850 [0,0,0,0,0,1|3,0,0]=4 5247 B16R1.693 NCCCCOCC(=O)Oc1ccccc1 34a_100000750430_100009813826 [0,0,0,0,0,1|3,0,0]=4 5248 B16R1.693 NCCCOCCC(=O)Nc1ccccc1 34a_100000182051_100000242058 [0,0,0,0,0,1|3,0,0]=4 5249 B16R1.693 NCCOCCCC(=O)Nc1ccccc1 34a_100000210304_100011194425 [0,0,0,0,0,1|3,0,0]=4 5250 B16R1.693 O=C(CCCCCCF)C[n+]1ccccc1 1458a_200000086051_100015922095 [0,0,0,0,0,1|3,0,0]=4 5251 B16R1.693 O=C(CCCCCCF)Cc1ccccn1 1458a_100000233486_100015922095 [0,0,0,0,0,1|3,0,0]=4 5252 B16R1.693 O=C(CCCCCCF)Cc1cccnc1 1458a_100000737805_100015922095 [0,0,0,0,0,1|3,0,0]=4 5253 B16R1.693 O=C(CCCCCCO)C[n+]1ccccc1 1458a_200000086051_100000766143 [0,0,0,0,0,1|3,0,0]=4 5254 B16R1.693 O=C(CCCCCCO)Cc1ccccc1 1458a_100011996774_100015291786 [0,0,0,0,0,1|2,0,0]=3 5255 B16R1.693 O=C(CCCCCCO)Cc1ccccn1 1458a_100000233486_100000766143 [0,0,0,0,0,1|3,0,0]=4 5256 B16R1.693 O=C(CCCCCCO)Cc1ccccn1 1458a_100011996774_100000721315 [0,0,0,0,0,1|3,0,0]=4 5257 B16R1.693 O=C(CCCCCCO)Cc1cccnc1 1458a_100000737805_100000766143 [0,0,0,0,0,1|3,0,0]=4 5258 B16R1.693 O=C(CCCCCCO)Cc1cccnc1 1458a_100011996774_100000733263 [0,0,0,0,0,1|3,0,0]=4 5259 B16R1.693 O=C(CCCCCCO)Cc1ccncc1 1458a_100011996774_100000705612 [0,0,0,0,0,1|3,0,0]=4 5260 B16R1.693 O=C(CCCNCCF)Nc1ccccc1 34a_100000724931_100011194425 [0,0,0,0,0,1|3,0,0]=4 5261 B16R1.693 O=C(CCCNCCF)Nc1ccccc1 34a_100000750157_100011217306 [0,0,0,0,0,1|3,0,0]=4 5262 B16R1.693 O=C(CCCNCCO)Nc1ccccc1 2230a_100016997473_100011194425 [0,0,0,0,0,1|3,0,0]=4 5263 B16R1.693 O=C(CCCNCCO)Nc1ccccc1 34a_100000750157_100000211926 [0,0,0,0,0,1|3,0,0]=4 5264 B16R1.693 O=C(CCCNCCO)Nc1ccccc1 34a_100016990907_100011194425 [0,0,0,0,0,1|3,0,0]=4 5265 B16R1.693 O=C(CCCOCCBr)Nc1ccccc1 34a_100000211926_100011194425 [0,0,0,0,0,1|3,0,0]=4 5266 B16R1.693 O=C(CCCSCCF)Nc1ccccc1 62a_100011217306_100011194425 [0,0,0,0,0,1|3,0,0]=4 5267 B16R1.693 O=C(CCCSCCO)Nc1ccccc1 62a_100000211926_100011194425 [0,0,0,0,0,1|3,0,0]=4 5268 B16R1.693 O=C(CCNCCCF)Nc1ccccc1 2230a_100015189416_100000242058 [0,0,0,0,0,1|3,0,0]=4 5269 B16R1.693 O=C(CCNCCCF)Nc1ccccc1 34a_100015189416_100000242058 [0,0,0,0,0,1|3,0,0]=4 5270 B16R1.693 O=C(CCNCCCF)Oc1ccccc1 2230a_100015189416_200000035796 [0,0,0,0,0,1|3,0,0]=4 5271 B16R1.693 O=C(CCOCCCBr)Nc1ccccc1 34a_100011217188_100000242058 [0,0,0,0,0,1|3,0,0]=4 5272 B16R1.693 O=C(CCOCCCCl)Nc1ccccc1 34a_100000230001_100000242058 [0,0,0,0,0,1|3,0,0]=4 5273 B16R1.693 O=C(CCOCCCF)Nc1ccccc1 34a_100000759539_100000242058 [0,0,0,0,0,1|3,0,0]=4 5274 B16R1.693 O=C(CCSCCCF)Nc1ccccc1 62a_100011934791_100000242058 [0,0,0,0,0,1|3,0,0]=4 5275 B16R1.693 O=C(CCSCCCF)Oc1ccccc1 62a_100011934791_200000035796 [0,0,0,0,0,1|3,0,0]=4 5276 B16R1.693 O=C(CCSCCCO)Nc1ccccc1 62a_100011215043_100000242058 [0,0,0,0,0,1|3,0,0]=4 5277 B16R1.693 O=C(CCSCCCO)Oc1ccccc1 62a_100011215043_200000035796 [0,0,0,0,0,1|3,0,0]=4 5278 B16R1.693 O=C(CNCCCCO)Cc1ccccc1 2230a_100000750430_100000233483 [0,0,0,0,0,1|3,0,0]=4 5279 B16R1.693 O=C(CNCCCCO)Nc1ccccc1 2230a_100000750430_100000182850 [0,0,0,0,0,1|3,0,0]=4 5280 B16R1.693 O=C(CNCCCCO)Nc1ccccc1 34a_100000750430_100000182850 [0,0,0,0,0,1|3,0,0]=4 5281 B16R1.693 O=C(CNCCCCO)Oc1ccccc1 2230a_100000750430_100009813826 [0,0,0,0,0,1|3,0,0]=4 5282 B16R1.693 O=C(CNCCCCO)Oc1ccccc1 34a_100000750430_100009813826 [0,0,0,0,0,1|3,0,0]=4 5283 B16R1.693 O=C(COCCCCBr)Nc1ccccc1 34a_100011216708_100000182850 [0,0,0,0,0,1|3,0,0]=4 5284 B16R1.693 O=C(COCCCCBr)Oc1ccccc1 34a_100011216708_100009813826 [0,0,0,0,0,1|3,0,0]=4 5285 B16R1.693 O=C(COCCCCCl)Cc1ccccc1 7a_100000210776_100000233483 [0,0,0,0,0,1|3,0,0]=4 5286 B16R1.693 O=C(COCCCCCl)Nc1ccccc1 34a_100000210776_100000182850 [0,0,0,0,0,1|3,0,0]=4 5287 B16R1.693 O=C(COCCCCCl)Nc1ccccc1 7a_100000210776_100000182850 [0,0,0,0,0,1|3,0,0]=4 5288 B16R1.693 O=C(COCCCCCl)Oc1ccccc1 34a_100000210776_100009813826 [0,0,0,0,0,1|3,0,0]=4 5289 B16R1.693 O=C(COCCCCCl)Oc1ccccc1 7a_100000210776_100009813826 [0,0,0,0,0,1|3,0,0]=4 5290 B16R1.693 O=C(COCCCCF)Cc1ccccc1 7a_100011995726_100000233483 [0,0,0,0,0,1|3,0,0]=4 5291 B16R1.693 O=C(COCCCCF)Nc1ccccc1 34a_100000246334_100000729493 [0,0,0,0,0,1|3,0,0]=4 5292 B16R1.693 O=C(COCCCCF)Nc1ccccc1 34a_100011995726_100000182850 [0,0,0,0,0,1|3,0,0]=4 5293 B16R1.693 O=C(COCCCCF)Nc1ccccc1 7a_100011995726_100000182850 [0,0,0,0,0,1|3,0,0]=4 5294 B16R1.693 O=C(COCCCCF)Oc1ccccc1 34a_100011995726_100009813826 [0,0,0,0,0,1|3,0,0]=4 5295 B16R1.693 O=C(COCCCCF)Oc1ccccc1 7a_100011995726_100009813826 [0,0,0,0,0,1|3,0,0]=4 5296 B16R1.693 O=C(COCCCCI)Nc1ccccc1 34a_200012148704_100000182850 [0,0,0,0,0,1|3,0,0]=4 5297 B16R1.693 O=C(COCCCCI)Oc1ccccc1 34a_200012148704_100009813826 [0,0,0,0,0,1|3,0,0]=4 5298 B16R1.693 O=C(COCCCCO)Nc1ccccc1 34a_100000246334_100011216708 [0,0,0,0,0,1|3,0,0]=4 5299 B16R1.693 O=C(CSCCCCF)Cc1ccccc1 62a_100000233483_100000729493 [0,0,0,0,0,1|3,0,0]=4 5300 B16R1.693 O=C(CSCCCCF)Cc1ccccc1 62a_100000729493_100000233483 [0,0,0,0,0,1|3,0,0]=4 5301 B16R1.693 O=C(CSCCCCF)Nc1ccccc1 62a_100000729493_100000182850 [0,0,0,0,0,1|3,0,0]=4 5302 B16R1.693 O=C(CSCCCCF)Nc1ccccc1 62a_100012148978_100000729493 [0,0,0,0,0,1|3,0,0]=4 5303 B16R1.693 O=C(CSCCCCF)Oc1ccccc1 62a_100000729493_100009813826 [0,0,0,0,0,1|3,0,0]=4 5304 B16R1.693 O=C(CSCCCCF)Oc1ccccc1 62a_100009813826_100000729493 [0,0,0,0,0,1|3,0,0]=4 5305 B16R1.693 O=C(CSCCCCO)Cc1ccccc1 62a_100000210776_100000233483 [0,0,0,0,0,1|3,0,0]=4 5306 B16R1.693 O=C(CSCCCCO)Cc1ccccc1 62a_100000233483_100000210776 [0,0,0,0,0,1|3,0,0]=4 5307 B16R1.693 O=C(CSCCCCO)Nc1ccccc1 62a_100000210776_100000182850 [0,0,0,0,0,1|3,0,0]=4 5308 B16R1.693 O=C(CSCCCCO)Nc1ccccc1 62a_100012148978_100000210776 [0,0,0,0,0,1|3,0,0]=4 5309 B16R1.693 O=C(CSCCCCO)Oc1ccccc1 62a_100000210776_100009813826 [0,0,0,0,0,1|3,0,0]=4 5310 B16R1.693 O=C(CSCCCCO)Oc1ccccc1 62a_100009813826_100000210776 [0,0,0,0,0,1|3,0,0]=4 5311 B16R1.693 O=C(C[n+]1ccccc1)NCCCCCO 240690a_100000762737_200000086051 [0,0,0,0,0,1|3,0,0]=4 5312 B16R1.693 O=C(Cc1cccnc1)NCCCCCO 240690a_100000762737_100000737805 [0,0,0,0,0,1|3,0,0]=4 5313 B16R1.693 O=C(Cc1ccncc1)NCCCCCO 240690a_100000762737_100011201483 [0,0,0,0,0,1|3,0,0]=4 5314 B16R1.693 O=C(NCCCCCO)Nc1ccccc1 2430a_100000106764_100000762737 [0,0,0,0,0,1|2,0,0]=3 5315 B16R1.693 O=C(NCCOCCO)Nc1ccccc1 2430a_100000106764_100000211614 [0,0,0,0,0,1|3,0,0]=4 5316 B16R1.693 O=C(NCCSCCO)Nc1ccccc1 2430a_100000106764_100011219999 [0,0,0,0,0,1|3,0,0]=4 5317 B13R0.338 C/C=C/C=CC(=O)CCCCCCC 1458a_100000185730_100000210614 [1,0,1,0,0,0|1,0,1]=4 5318 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 11a_100000210581_100000185730 [1,0,1,0,0,0|1,0,1]=4 5319 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 1626a_100000210581_100000185730 [1,0,1,0,0,0|1,0,1]=4 5320 B13R0.338 C/C=C/C=CC(=O)NCCCCCC 240690a_100000210581_100000185730 [1,0,1,0,0,0|1,0,1]=4 5321 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [2,0,0,0,0,0|0,0,2]=4 5322 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [2,0,0,0,0,0|0,0,2]=4 5323 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [2,0,0,0,0,0|0,0,2]=4 5324 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [2,0,0,0,0,0|0,0,2]=4 5325 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [2,0,0,0,0,0|0,0,0]=2 5326 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [2,0,0,0,0,0|2,0,0]=4 5327 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 5328 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [2,0,0,0,0,0|2,0,0]=4 5329 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 5330 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [2,0,0,0,0,0|2,0,0]=4 5331 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 5332 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [2,0,0,0,0,0|2,0,0]=4 5333 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 5334 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 5335 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 5336 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [2,0,0,0,0,0|2,0,0]=4 5337 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [2,0,0,0,0,0|1,0,0]=3 5338 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [2,0,0,0,0,0|1,0,0]=3 5339 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [2,0,0,0,0,0|1,0,0]=3 5340 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [2,0,0,0,0,0|1,0,0]=3 5341 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [2,0,0,0,0,0|1,0,1]=4 5342 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [2,0,0,0,0,0|1,0,1]=4 5343 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [2,0,0,0,0,0|1,0,1]=4 5344 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [2,0,0,0,0,0|1,0,1]=4 5345 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [2,0,0,0,0,0|2,0,0]=4 5346 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [2,0,0,0,0,0|2,0,0]=4 5347 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [2,0,0,0,0,0|1,0,0]=3 5348 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [2,0,0,0,0,0|1,0,0]=3 5349 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [2,0,0,0,0,0|2,0,0]=4 5350 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [2,0,0,0,0,0|2,0,0]=4 5351 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [2,0,0,0,0,0|2,0,0]=4 5352 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [2,0,0,0,0,0|2,0,0]=4 5353 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [2,0,0,0,0,0|2,0,0]=4 5354 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [2,0,0,0,0,0|2,0,0]=4 5355 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [2,0,0,0,0,0|2,0,0]=4 5356 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [2,0,0,0,0,0|1,0,0]=3 5357 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [2,0,0,0,0,0|2,0,0]=4 5358 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [2,0,0,0,0,0|1,0,0]=3 5359 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [2,0,0,0,0,0|1,0,0]=3 5360 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [2,0,0,0,0,0|1,0,0]=3 5361 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [2,0,0,0,0,0|1,0,0]=3 5362 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [2,0,0,0,0,0|2,0,0]=4 5363 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [2,0,0,0,0,0|1,0,0]=3 5364 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [2,0,0,0,0,0|1,0,0]=3 5365 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [2,0,0,0,0,0|1,0,0]=3 5366 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [2,0,0,0,0,0|1,0,0]=3 5367 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [2,0,0,0,0,0|2,0,0]=4 5368 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [2,0,0,0,0,0|2,0,0]=4 5369 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [2,0,0,0,0,0|1,0,0]=3 5370 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [2,0,0,0,0,0|1,0,0]=3 5371 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [2,0,0,0,0,0|1,0,0]=3 5372 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [2,0,0,0,0,0|2,0,0]=4 5373 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [2,0,0,0,0,0|2,0,0]=4 5374 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [2,0,0,0,0,0|2,0,0]=4 5375 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [2,0,0,0,0,0|2,0,0]=4 5376 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [2,0,0,0,0,0|2,0,0]=4 5377 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [2,0,0,0,0,0|1,0,0]=3 5378 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [2,0,0,0,0,0|1,0,0]=3 5379 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [2,0,0,0,0,0|2,0,0]=4 5380 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [2,0,0,0,0,0|2,0,0]=4 5381 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [2,0,0,0,0,0|1,0,0]=3 5382 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [2,0,0,0,0,0|1,0,0]=3 5383 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [2,0,0,0,0,0|2,0,0]=4 5384 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [2,0,0,0,0,0|2,0,0]=4 5385 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [2,0,0,0,0,0|2,0,0]=4 5386 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [2,0,0,0,0,0|2,0,0]=4 5387 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [2,0,0,0,0,0|2,0,0]=4 5388 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [2,0,0,0,0,0|2,0,0]=4 5389 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [2,0,0,0,0,0|1,0,0]=3 5390 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [2,0,0,0,0,0|1,0,0]=3 5391 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [2,0,0,0,0,0|2,0,0]=4 5392 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [2,0,0,0,0,0|2,0,0]=4 5393 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [2,0,0,0,0,0|1,0,1]=4 5394 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [2,0,0,0,0,0|1,0,0]=3 5395 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [2,0,0,0,0,0|1,0,0]=3 5396 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [2,0,0,0,0,0|2,0,0]=4 5397 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [2,0,0,0,0,0|2,0,0]=4 5398 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [2,0,0,0,0,0|2,0,0]=4 5399 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [2,0,0,0,0,0|2,0,0]=4 5400 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [2,0,0,0,0,0|2,0,0]=4 5401 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [2,0,0,0,0,0|2,0,0]=4 5402 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [2,0,0,0,0,0|2,0,0]=4 5403 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [2,0,0,0,0,0|2,0,0]=4 5404 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [2,0,0,0,0,0|2,0,0]=4 5405 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [2,0,0,0,0,0|2,0,0]=4 5406 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [2,0,0,0,0,0|2,0,0]=4 5407 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [2,0,0,0,0,0|2,0,0]=4 5408 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [2,0,0,0,0,0|2,0,0]=4 5409 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [2,0,0,0,0,0|2,0,0]=4 5410 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [2,0,0,0,0,0|2,0,0]=4 5411 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [2,0,0,0,0,0|2,0,0]=4 5412 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [2,0,0,0,0,0|2,0,0]=4 5413 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [2,0,0,0,0,0|1,0,0]=3 5414 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [2,0,0,0,0,0|1,0,0]=3 5415 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [2,0,0,0,0,0|1,0,0]=3 5416 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [2,0,0,0,0,0|2,0,0]=4 5417 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [2,0,0,0,0,0|2,0,0]=4 5418 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [2,0,0,0,0,0|1,0,0]=3 5419 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [2,0,0,0,0,0|1,0,0]=3 5420 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [2,0,0,0,0,0|1,0,1]=4 5421 B13R1.28 BrCCOCCOc1ccccc1 34a_100000211926_100000184471 [2,0,0,0,0,0|2,0,0]=4 5422 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [2,0,0,0,0,0|0,0,2]=4 5423 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [2,0,0,0,0,0|0,0,2]=4 5424 B13R1.28 C=CCCCCOc1ccccc1 34a_100000210340_100011215482 [2,0,0,0,0,0|0,0,2]=4 5425 B13R1.28 C=CCCCCOc1ccccc1 7a_100000210340_100011215482 [2,0,0,0,0,0|0,0,2]=4 5426 B13R1.28 CC/C=C\CCOc1ccccc1 34a_100000210340_100015370543 [2,0,0,0,0,0|0,0,2]=4 5427 B13R1.28 CC/C=C\CCOc1ccccc1 7a_100000210340_100015370543 [2,0,0,0,0,0|0,0,2]=4 5428 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [2,0,0,0,0,0|0,0,1]=3 5429 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [2,0,0,0,0,0|1,0,1]=4 5430 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [2,0,0,0,0,0|1,0,1]=4 5431 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [2,0,0,0,0,0|1,0,1]=4 5432 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [2,0,0,0,0,0|1,0,0]=3 5433 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [2,0,0,0,0,0|0,0,0]=2 5434 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [2,0,0,0,0,0|0,0,0]=2 5435 B13R1.28 CCCCCCOc1cccnc1 34a_100000210849_100000210314 [2,0,0,0,0,0|1,0,0]=3 5436 B13R1.28 CCCCCCOc1cccnc1 7a_100000210849_100000210314 [2,0,0,0,0,0|1,0,0]=3 5437 B13R1.28 CCCCCCOc1ccncc1 34a_100000212176_100000210314 [2,0,0,0,0,0|1,0,0]=3 5438 B13R1.28 CCCCCCOc1ccnnc1 34a_100015204005_100000210314 [2,0,0,0,0,0|2,0,0]=4 5439 B13R1.28 CCCCCCOc1cncnc1 7a_100000754086_100000210314 [2,0,0,0,0,0|2,0,0]=4 5440 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [2,0,0,0,0,0|0,1,0]=3 5441 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [2,0,0,0,0,0|0,1,0]=3 5442 B13R1.28 CCCCCCSc1ccccn1 62a_100000210314_100011216584 [2,0,0,0,0,0|1,1,0]=4 5443 B13R1.28 CCCCCCSc1ccccn1 62a_100011216584_100000210757 [2,0,0,0,0,0|1,1,0]=4 5444 B13R1.28 CCCCCCSc1cccnc1 62a_100000210063_100000210757 [2,0,0,0,0,0|1,1,0]=4 5445 B13R1.28 CCCCCCSc1cccnc1 62a_100000210314_100000210063 [2,0,0,0,0,0|1,1,0]=4 5446 B13R1.28 CCCCCCSc1ccncc1 62a_100000210314_100000728582 [2,0,0,0,0,0|1,1,0]=4 5447 B13R1.28 CCCCCCSc1ccncc1 62a_100000728582_100000210757 [2,0,0,0,0,0|1,1,0]=4 5448 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [2,0,0,0,0,0|1,0,1]=4 5449 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [2,0,0,0,0,0|1,0,1]=4 5450 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [2,0,0,0,0,0|1,0,1]=4 5451 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [2,0,0,0,0,0|1,0,1]=4 5452 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [2,0,0,0,0,0|1,0,1]=4 5453 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [2,0,0,0,0,0|0,0,1]=3 5454 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [2,0,0,0,0,0|0,0,1]=3 5455 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [2,0,0,0,0,0|0,0,1]=3 5456 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [2,0,0,0,0,0|0,0,1]=3 5457 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [2,0,0,0,0,0|1,0,1]=4 5458 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [2,0,0,0,0,0|1,0,1]=4 5459 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [2,0,0,0,0,0|1,0,1]=4 5460 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [2,0,0,0,0,0|1,0,1]=4 5461 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [2,0,0,0,0,0|1,0,1]=4 5462 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [2,0,0,0,0,0|0,1,1]=4 5463 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [2,0,0,0,0,0|0,1,1]=4 5464 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [2,0,0,0,0,0|1,0,1]=4 5465 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [2,0,0,0,0,0|1,0,1]=4 5466 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [2,0,0,0,0,0|1,0,1]=4 5467 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [2,0,0,0,0,0|1,0,1]=4 5468 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [2,0,0,0,0,0|1,1,0]=4 5469 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [2,0,0,0,0,0|2,0,0]=4 5470 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [2,0,0,0,0,0|1,0,1]=4 5471 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [2,0,0,0,0,0|1,0,1]=4 5472 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [2,0,0,0,0,0|1,0,1]=4 5473 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [2,0,0,0,0,0|1,0,1]=4 5474 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [2,0,0,0,0,0|2,0,0]=4 5475 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [2,0,0,0,0,0|1,0,0]=3 5476 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [2,0,0,0,0,0|2,0,0]=4 5477 B13R1.28 CCCCOCOc1ccncc1 34a_100000212176_100011995733 [2,0,0,0,0,0|2,0,0]=4 5478 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [2,0,0,0,0,0|1,1,0]=4 5479 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [2,0,0,0,0,0|1,1,0]=4 5480 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [2,0,0,0,0,0|1,0,1]=4 5481 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [2,0,0,0,0,0|1,0,1]=4 5482 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [2,0,0,0,0,0|1,1,0]=4 5483 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [2,0,0,0,0,0|1,1,0]=4 5484 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [2,0,0,0,0,0|1,0,1]=4 5485 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [2,0,0,0,0,0|1,0,1]=4 5486 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [2,0,0,0,0,0|1,0,1]=4 5487 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [2,0,0,0,0,0|1,0,1]=4 5488 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [2,0,0,0,0,0|1,0,1]=4 5489 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [2,0,0,0,0,0|1,0,0]=3 5490 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [2,0,0,0,0,0|1,0,0]=3 5491 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [2,0,0,0,0,0|1,0,0]=3 5492 B13R1.28 CCCNCCOc1ccccn1 2230a_106741647558_100000210303 [2,0,0,0,0,0|2,0,0]=4 5493 B13R1.28 CCCNCCOc1cccnc1 2230a_100000754688_100000210303 [2,0,0,0,0,0|2,0,0]=4 5494 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [2,0,0,0,0,0|1,1,0]=4 5495 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [2,0,0,0,0,0|1,0,1]=4 5496 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [2,0,0,0,0,0|1,0,1]=4 5497 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [2,0,0,0,0,0|1,0,1]=4 5498 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [2,0,0,0,0,0|1,0,1]=4 5499 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [2,0,0,0,0,0|1,0,1]=4 5500 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [2,0,0,0,0,0|2,0,0]=4 5501 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [2,0,0,0,0,0|2,0,0]=4 5502 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [2,0,0,0,0,0|1,0,0]=3 5503 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [2,0,0,0,0,0|1,0,0]=3 5504 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [2,0,0,0,0,0|1,0,0]=3 5505 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [2,0,0,0,0,0|1,0,0]=3 5506 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [2,0,0,0,0,0|1,0,0]=3 5507 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [2,0,0,0,0,0|2,0,0]=4 5508 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [2,0,0,0,0,0|2,0,0]=4 5509 B13R1.28 CCCOCCOc1ccncc1 34a_100000212176_100011215938 [2,0,0,0,0,0|2,0,0]=4 5510 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [2,0,0,0,0,0|1,1,0]=4 5511 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [2,0,0,0,0,0|1,1,0]=4 5512 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [2,0,0,0,0,0|1,1,0]=4 5513 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [2,0,0,0,0,0|1,1,0]=4 5514 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [2,0,0,0,0,0|1,0,1]=4 5515 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [2,0,0,0,0,0|1,0,1]=4 5516 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [2,0,0,0,0,0|1,0,1]=4 5517 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [2,0,0,0,0,0|1,0,1]=4 5518 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [2,0,0,0,0,0|1,0,1]=4 5519 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [2,0,0,0,0,0|1,0,0]=3 5520 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [2,0,0,0,0,0|1,0,0]=3 5521 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [2,0,0,0,0,0|1,1,0]=4 5522 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [2,0,0,0,0,0|1,1,0]=4 5523 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [2,0,0,0,0,0|1,0,1]=4 5524 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [2,0,0,0,0,0|1,0,1]=4 5525 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [2,0,0,0,0,0|1,0,1]=4 5526 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [2,0,0,0,0,0|1,0,1]=4 5527 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [2,0,0,0,0,0|1,0,1]=4 5528 B13R1.28 CCNCCCOc1ccccc1 2230a_100000216521_100000210202 [2,0,0,0,0,0|1,0,0]=3 5529 B13R1.28 CCNCCCOc1ccccc1 2230a_100015525214_100000199009 [2,0,0,0,0,0|1,0,0]=3 5530 B13R1.28 CCNCCCOc1ccccc1 34a_100000216521_100000210202 [2,0,0,0,0,0|1,0,0]=3 5531 B13R1.28 CCNCCCSc1ccccc1 2230a_100000184639_100000210202 [2,0,0,0,0,0|1,1,0]=4 5532 B13R1.28 CCNCCCSc1ccccc1 2230a_100015525214_200011203293 [2,0,0,0,0,0|1,1,0]=4 5533 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [2,0,0,0,0,0|1,0,1]=4 5534 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [2,0,0,0,0,0|1,0,1]=4 5535 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [2,0,0,0,0,0|1,0,1]=4 5536 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [2,0,0,0,0,0|1,0,1]=4 5537 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [2,0,0,0,0,0|1,0,1]=4 5538 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [2,0,0,0,0,0|1,0,1]=4 5539 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [2,0,0,0,0,0|2,0,0]=4 5540 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [2,0,0,0,0,0|2,0,0]=4 5541 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [2,0,0,0,0,0|1,0,0]=3 5542 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [2,0,0,0,0,0|1,0,0]=3 5543 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [2,0,0,0,0,0|1,0,0]=3 5544 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [2,0,0,0,0,0|1,0,0]=3 5545 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [2,0,0,0,0,0|1,0,0]=3 5546 B13R1.28 CCOCCCOc1cccnc1 34a_100000210849_100012232248 [2,0,0,0,0,0|2,0,0]=4 5547 B13R1.28 CCOCCCOc1cccnc1 7a_100000210849_100012232248 [2,0,0,0,0,0|2,0,0]=4 5548 B13R1.28 CCOCCCOc1ccncc1 34a_100000212176_100012232248 [2,0,0,0,0,0|2,0,0]=4 5549 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [2,0,0,0,0,0|1,1,0]=4 5550 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [2,0,0,0,0,0|1,1,0]=4 5551 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [2,0,0,0,0,0|1,1,0]=4 5552 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [2,0,0,0,0,0|1,0,1]=4 5553 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [2,0,0,0,0,0|1,0,1]=4 5554 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [2,0,0,0,0,0|1,0,1]=4 5555 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [2,0,0,0,0,0|1,0,1]=4 5556 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [2,0,0,0,0,0|1,0,1]=4 5557 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [2,0,0,0,0,0|1,0,1]=4 5558 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [2,0,0,0,0,0|1,0,1]=4 5559 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [2,0,0,0,0,0|1,0,1]=4 5560 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [2,0,0,0,0,0|1,0,1]=4 5561 B13R1.28 CCSCCCOc1ccccc1 62a_100000199009_100000210202 [2,0,0,0,0,0|1,0,0]=3 5562 B13R1.28 CCSCCCOc1ccccc1 62a_100000210202_100000199009 [2,0,0,0,0,0|1,0,0]=3 5563 B13R1.28 CCSCCCSc1ccccc1 62a_100000210202_200011203293 [2,0,0,0,0,0|1,1,0]=4 5564 B13R1.28 CCSCCCSc1ccccc1 62a_200011203293_100000210202 [2,0,0,0,0,0|1,1,0]=4 5565 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [2,0,0,0,0,0|1,0,1]=4 5566 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [2,0,0,0,0,0|1,0,1]=4 5567 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [2,0,0,0,0,0|1,0,1]=4 5568 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [2,0,0,0,0,0|1,0,1]=4 5569 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [2,0,0,0,0,0|1,0,1]=4 5570 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [2,0,0,0,0,0|1,0,1]=4 5571 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [2,0,0,0,0,0|1,0,1]=4 5572 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [2,0,0,0,0,0|1,0,1]=4 5573 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [2,0,0,0,0,0|1,0,1]=4 5574 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [2,0,0,0,0,0|1,0,1]=4 5575 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [2,0,0,0,0,0|1,0,1]=4 5576 B13R1.28 CNCCCCOc1ccccc1 2230a_106832991635_100011215240 [2,0,0,0,0,0|1,0,0]=3 5577 B13R1.28 CNCCCCOc1ccccc1 34a_100102657272_100011215240 [2,0,0,0,0,0|1,0,0]=3 5578 B13R1.28 CNCCCCOc1ccccc1 7a_106832991635_100011215240 [2,0,0,0,0,0|1,0,0]=3 5579 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [2,0,0,0,0,0|1,0,1]=4 5580 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [2,0,0,0,0,0|1,0,1]=4 5581 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [2,0,0,0,0,0|1,0,1]=4 5582 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [2,0,0,0,0,0|1,0,1]=4 5583 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [2,0,0,0,0,0|1,0,1]=4 5584 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [2,0,0,0,0,0|1,0,1]=4 5585 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [2,0,0,0,0,0|1,0,1]=4 5586 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [2,0,0,0,0,0|1,0,1]=4 5587 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [2,0,0,0,0,0|1,0,1]=4 5588 B13R1.28 COCCCCNc1ccccc1 34a_100000106764_100000755781 [2,0,0,0,0,0|2,0,0]=4 5589 B13R1.28 COCCCCOc1ccccc1 34a_100000210340_100000755781 [2,0,0,0,0,0|1,0,0]=3 5590 B13R1.28 COCCCCOc1ccccc1 34a_100000752354_200000210301 [2,0,0,0,0,0|1,0,0]=3 5591 B13R1.28 COCCCCOc1ccccc1 34a_100138415774_100011215240 [2,0,0,0,0,0|1,0,0]=3 5592 B13R1.28 COCCCCOc1ccccc1 7a_100000210340_100000730899 [2,0,0,0,0,0|1,0,0]=3 5593 B13R1.28 COCCCCOc1ccccc1 7a_100000752354_200000210301 [2,0,0,0,0,0|1,0,0]=3 5594 B13R1.28 COCCCCOc1cccnc1 34a_100000210849_100000755781 [2,0,0,0,0,0|2,0,0]=4 5595 B13R1.28 COCCCCOc1cccnc1 7a_100000210849_100000730899 [2,0,0,0,0,0|2,0,0]=4 5596 B13R1.28 COCCCCOc1ccncc1 34a_100000212176_100000755781 [2,0,0,0,0,0|2,0,0]=4 5597 B13R1.28 COCCCCSc1ccccc1 62a_100000719477_100000730899 [2,0,0,0,0,0|1,1,0]=4 5598 B13R1.28 COCCCCSc1ccccc1 62a_100000730899_100000041952 [2,0,0,0,0,0|1,1,0]=4 5599 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [2,0,0,0,0,0|1,0,1]=4 5600 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [2,0,0,0,0,0|1,0,1]=4 5601 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [2,0,0,0,0,0|1,0,1]=4 5602 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [2,0,0,0,0,0|1,0,1]=4 5603 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [2,0,0,0,0,0|1,0,1]=4 5604 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [2,0,0,0,0,0|1,0,1]=4 5605 B13R1.28 COCNCCOc1ccccc1 2230a_100000174943_100000766300 [2,0,0,0,0,0|2,0,0]=4 5606 B13R1.28 COCSCCOc1ccccc1 62a_100000184471_100000766300 [2,0,0,0,0,0|2,0,0]=4 5607 B13R1.28 COCSCCOc1ccccc1 62a_100000766300_100000184471 [2,0,0,0,0,0|2,0,0]=4 5608 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [2,0,0,0,0,0|1,0,1]=4 5609 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [2,0,0,0,0,0|1,0,1]=4 5610 B13R1.28 CSCCCCOc1ccccc1 62a_100011215240_200000210301 [2,0,0,0,0,0|1,0,0]=3 5611 B13R1.28 CSCCCCOc1ccccc1 62a_200000210301_100011215240 [2,0,0,0,0,0|1,0,0]=3 5612 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [2,0,0,0,0,0|1,0,1]=4 5613 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [2,0,0,0,0,0|1,0,1]=4 5614 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [2,0,0,0,0,0|1,0,1]=4 5615 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [2,0,0,0,0,0|1,0,1]=4 5616 B13R1.28 CSCNCCOc1ccccc1 2230a_100000174943_100011218213 [2,0,0,0,0,0|2,0,0]=4 5617 B13R1.28 CSCNCCOc1ccccc1 34a_100000174943_100011218213 [2,0,0,0,0,0|2,0,0]=4 5618 B13R1.28 CSCOCCOc1ccccc1 34a_100000210260_100011218213 [2,0,0,0,0,0|2,0,0]=4 5619 B13R1.28 CSCSCCOc1ccccc1 62a_100000184471_100011218213 [2,0,0,0,0,0|2,0,0]=4 5620 B13R1.28 CSCSCCOc1ccccc1 62a_100011218213_100000184471 [2,0,0,0,0,0|2,0,0]=4 5621 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [2,0,0,0,0,0|1,0,1]=4 5622 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [2,0,0,0,0,0|1,0,1]=4 5623 B13R1.28 FCCCCCNc1ccccc1 34a_100000106764_100000729378 [2,0,0,0,0,0|2,0,0]=4 5624 B13R1.28 FCCCCCOc1ccccc1 34a_100000210340_100000729378 [2,0,0,0,0,0|1,0,0]=3 5625 B13R1.28 FCCCCCOc1ccccc1 7a_100000210340_100000729378 [2,0,0,0,0,0|1,0,0]=3 5626 B13R1.28 FCCCCCOc1cccnc1 34a_100000210849_100000729378 [2,0,0,0,0,0|2,0,0]=4 5627 B13R1.28 FCCCCCOc1cccnc1 7a_100000210849_100000729378 [2,0,0,0,0,0|2,0,0]=4 5628 B13R1.28 FCCCCCOc1ccncc1 34a_100000212176_100000729378 [2,0,0,0,0,0|2,0,0]=4 5629 B13R1.28 FCCCCCSc1ccccc1 62a_100000719477_100000729378 [2,0,0,0,0,0|1,1,0]=4 5630 B13R1.28 FCCCCCSc1ccccc1 62a_100000729378_100000041952 [2,0,0,0,0,0|1,1,0]=4 5631 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [2,0,0,0,0,0|1,0,1]=4 5632 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [2,0,0,0,0,0|1,0,1]=4 5633 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [2,0,0,0,0,0|1,0,1]=4 5634 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [2,0,0,0,0,0|1,0,1]=4 5635 B13R1.28 FCCNCCOc1ccccc1 2230a_100000174943_100011217306 [2,0,0,0,0,0|2,0,0]=4 5636 B13R1.28 FCCNCCOc1ccccc1 34a_100000174943_100011217306 [2,0,0,0,0,0|2,0,0]=4 5637 B13R1.28 FCCNCCOc1ccccc1 34a_100000724931_100000184471 [2,0,0,0,0,0|2,0,0]=4 5638 B13R1.28 FCCOCCOc1ccccc1 34a_100000210260_100011217306 [2,0,0,0,0,0|2,0,0]=4 5639 B13R1.28 FCCOCCOc1ccccc1 7a_100000210260_100011217306 [2,0,0,0,0,0|2,0,0]=4 5640 B13R1.28 FCCSCCOc1ccccc1 62a_100000184471_100011217306 [2,0,0,0,0,0|2,0,0]=4 5641 B13R1.28 FCCSCCOc1ccccc1 62a_100011217306_100000184471 [2,0,0,0,0,0|2,0,0]=4 5642 B13R1.28 FCNCCCOc1ccccc1 34a_100000216521_100015361967 [2,0,0,0,0,0|2,0,0]=4 5643 B13R1.28 FCOCCCOc1ccccc1 34a_100011215863_100015361967 [2,0,0,0,0,0|2,0,0]=4 5644 B13R1.28 FCOCCCOc1ccccc1 7a_100011215863_100015361967 [2,0,0,0,0,0|2,0,0]=4 5645 B13R1.28 FCSCCCOc1ccccc1 62a_100000199009_100015361967 [2,0,0,0,0,0|2,0,0]=4 5646 B13R1.28 FCSCCCOc1ccccc1 62a_100015361967_100000199009 [2,0,0,0,0,0|2,0,0]=4 5647 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [2,0,0,0,0,0|1,0,1]=4 5648 B13R1.28 N#CCCCCOc1ccccc1 7a_100000210340_100000211819 [2,0,0,0,0,0|1,0,1]=4 5649 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [2,0,0,0,0,0|1,0,1]=4 5650 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [2,0,0,0,0,0|2,0,0]=4 5651 B13R1.28 O=CCCCCOc1ccccc1 7a_100000210340_100000139335 [2,0,0,0,0,0|1,0,1]=4 5652 B13R1.28 OCCCCCNc1ccccc1 34a_100000106764_100000746330 [2,0,0,0,0,0|2,0,0]=4 5653 B13R1.28 OCCCCCOc1ccccc1 34a_100000210340_100000746330 [2,0,0,0,0,0|1,0,0]=3 5654 B13R1.28 OCCCCCOc1ccccc1 7a_100000210340_100000746330 [2,0,0,0,0,0|1,0,0]=3 5655 B13R1.28 OCCCCCOc1cccnc1 34a_100000210849_100000746330 [2,0,0,0,0,0|2,0,0]=4 5656 B13R1.28 OCCCCCOc1cccnc1 7a_100000210849_100000746330 [2,0,0,0,0,0|2,0,0]=4 5657 B13R1.28 OCCCCCOc1ccncc1 34a_100000212176_100000746330 [2,0,0,0,0,0|2,0,0]=4 5658 B13R1.28 OCCCCCSc1ccccc1 62a_100000719477_100000746330 [2,0,0,0,0,0|1,1,0]=4 5659 B13R1.28 OCCCCCSc1ccccc1 62a_100000746330_100000041952 [2,0,0,0,0,0|1,1,0]=4 5660 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [2,0,0,0,0,0|1,0,1]=4 5661 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [2,0,0,0,0,0|1,0,1]=4 5662 B13R1.28 OCCNCCOc1ccccc1 2230a_100000174943_100000211926 [2,0,0,0,0,0|2,0,0]=4 5663 B13R1.28 OCCNCCOc1ccccc1 2230a_100016997473_100000184471 [2,0,0,0,0,0|2,0,0]=4 5664 B13R1.28 OCCNCCOc1ccccc1 270004a_100000210304_100000758736 [2,0,0,0,0,0|2,0,0]=4 5665 B13R1.28 OCCNCCOc1ccccc1 34a_100000174943_100000211926 [2,0,0,0,0,0|2,0,0]=4 5666 B13R1.28 OCCNCCOc1ccccc1 34a_100016990907_100000184471 [2,0,0,0,0,0|2,0,0]=4 5667 B13R1.28 OCCOCCOc1ccccc1 34a_100000210260_100000211926 [2,0,0,0,0,0|2,0,0]=4 5668 B13R1.28 OCCOCCOc1ccccc1 34a_100000210340_100000692535 [2,0,0,0,0,0|2,0,0]=4 5669 B13R1.28 OCCOCCOc1ccccc1 7a_100000210260_100000211926 [2,0,0,0,0,0|2,0,0]=4 5670 B13R1.28 OCCOCCOc1ccccc1 7a_100000210340_100011215305 [2,0,0,0,0,0|2,0,0]=4 5671 B13R1.28 OCCSCCOc1ccccc1 62a_100000184471_100000211926 [2,0,0,0,0,0|2,0,0]=4 5672 B13R1.28 OCCSCCOc1ccccc1 62a_100000211926_100000184471 [2,0,0,0,0,0|2,0,0]=4 5673 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [2,0,0,0,0,0|1,0,1]=4 5674 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [2,0,0,0,0,0|1,0,1]=4 5675 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [2,0,0,0,0,0|1,0,1]=4 5676 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [2,0,0,0,0,0|1,0,1]=4 5677 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [2,0,0,0,0,0|1,0,1]=4 5678 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [2,0,0,0,0,0|1,0,1]=4 5679 B13R1.28 [13CH3]OCCCCOc1ccccc1 34a_100000752354_200025704644 [2,0,0,0,0,0|1,0,0]=3 5680 B13R1.28 [13CH3]OCCCCOc1ccccc1 7a_100000752354_200025704644 [2,0,0,0,0,0|1,0,0]=3 5681 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [2,0,0,0,0,0|1,0,1]=4 5682 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [2,0,0,0,0,0|1,0,1]=4 5683 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [2,0,0,0,0,0|1,0,1]=4 5684 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [2,0,0,0,0,0|1,0,1]=4 5685 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_100011215240_200025704644 [2,0,0,0,0,0|1,0,0]=3 5686 B13R1.28 [13CH3]SCCCCOc1ccccc1 62a_200025704644_100011215240 [2,0,0,0,0,0|1,0,0]=3 5687 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [2,0,0,0,0,0|1,0,1]=4 5688 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [2,0,0,0,0,0|1,0,1]=4 5689 B15R0.138 C=CC=CC(=O)CC(=O)NCCCCCC 1458a_100016291481_100000230325 [0,1,1,0,0,0|1,0,1]=4 5690 B15R1.30 C#CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100010269958 [1,1,0,0,0,0|0,0,2]=4 5691 B15R1.30 C#CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100010269958 [1,1,0,0,0,0|0,0,2]=4 5692 B15R1.30 C#CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100010269958 [1,1,0,0,0,0|0,0,2]=4 5693 B15R1.30 C#CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100010269958 [1,1,0,0,0,0|0,0,2]=4 5694 B15R1.30 C#CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100010269958 [1,1,0,0,0,0|0,0,2]=4 5695 B15R1.30 C#CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100010269958 [1,1,0,0,0,0|0,0,2]=4 5696 B15R1.30 C=CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215482 [1,1,0,0,0,0|0,0,2]=4 5697 B15R1.30 C=CCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215482 [1,1,0,0,0,0|0,0,2]=4 5698 B15R1.30 C=CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215482 [1,1,0,0,0,0|0,0,2]=4 5699 B15R1.30 C=CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215482 [1,1,0,0,0,0|0,0,2]=4 5700 B15R1.30 C=CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215482 [1,1,0,0,0,0|0,0,2]=4 5701 B15R1.30 C=CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215482 [1,1,0,0,0,0|0,0,2]=4 5702 B15R1.30 CC/C=C\CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100015370543 [1,1,0,0,0,0|0,0,2]=4 5703 B15R1.30 CC/C=C\CCC(=O)c1ccc(cc1)C 1458a_100000188618_100015370543 [1,1,0,0,0,0|0,0,2]=4 5704 B15R1.30 CC/C=C\CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100015370543 [1,1,0,0,0,0|0,0,2]=4 5705 B15R1.30 CC/C=C\CCC(=O)c1ccc(cc1)F 1458a_100000187176_100015370543 [1,1,0,0,0,0|0,0,2]=4 5706 B15R1.30 CC/C=C\CCC(=O)c1ccc(cc1)I 1458a_100000187904_100015370543 [1,1,0,0,0,0|0,0,2]=4 5707 B15R1.30 CC/C=C\CCC(=O)c1ccc(cc1)O 1458a_100000212099_100015370543 [1,1,0,0,0,0|0,0,2]=4 5708 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210757 [1,1,0,0,0,0|0,0,0]=2 5709 B15R1.30 CCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210757 [1,1,0,0,0,0|0,0,0]=2 5710 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210757 [1,1,0,0,0,0|0,0,0]=2 5711 B15R1.30 CCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210757 [1,1,0,0,0,0|0,0,0]=2 5712 B15R1.30 CCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210757 [1,1,0,0,0,0|0,0,0]=2 5713 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210757 [1,1,0,0,0,0|0,0,0]=2 5714 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011215111 [1,1,0,0,0,0|0,0,0]=2 5715 B15R1.30 CCCCCCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210314 [1,1,0,0,0,0|2,0,0]=4 5716 B15R1.30 CCCCCCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210757 [1,1,0,0,0,0|2,0,0]=4 5717 B15R1.30 CCCCCCN(C)c1ccc(cc1)Br 34a_100000219623_100000210314 [1,1,0,0,0,0|2,0,0]=4 5718 B15R1.30 CCCCCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210314 [1,1,0,0,0,0|2,0,0]=4 5719 B15R1.30 CCCCCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210757 [1,1,0,0,0,0|2,0,0]=4 5720 B15R1.30 CCCCCCN(C)c1ccc(cc1)C 34a_100000219977_100000210314 [1,1,0,0,0,0|2,0,0]=4 5721 B15R1.30 CCCCCCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210314 [1,1,0,0,0,0|2,0,0]=4 5722 B15R1.30 CCCCCCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210757 [1,1,0,0,0,0|2,0,0]=4 5723 B15R1.30 CCCCCCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210314 [1,1,0,0,0,0|2,0,0]=4 5724 B15R1.30 CCCCCCN(C)c1ccc(cc1)F 2230a_100000219829_100000210314 [1,1,0,0,0,0|2,0,0]=4 5725 B15R1.30 CCCCCCN(C)c1ccc(cc1)F 269982a_100000219829_100000210757 [1,1,0,0,0,0|2,0,0]=4 5726 B15R1.30 CCCCCCN(C)c1ccc(cc1)F 34a_100000219829_100000210314 [1,1,0,0,0,0|2,0,0]=4 5727 B15R1.30 CCCCCCN(C)c1ccc(cc1)I 2230a_100000743151_100000210314 [1,1,0,0,0,0|2,0,0]=4 5728 B15R1.30 CCCCCCN(C)c1ccc(cc1)I 269982a_100000743151_100000210757 [1,1,0,0,0,0|2,0,0]=4 5729 B15R1.30 CCCCCCN(C)c1ccc(cc1)I 34a_100000743151_100000210314 [1,1,0,0,0,0|2,0,0]=4 5730 B15R1.30 CCCCCCN(C)c1ccc(cc1)O 269982a_100000182112_100000210757 [1,1,0,0,0,0|2,0,0]=4 5731 B15R1.30 CCCCCCN(C)c1ccc(cc1)O 34a_100000182112_100000210314 [1,1,0,0,0,0|2,0,0]=4 5732 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 11a_100000209983_100000185839 [1,1,0,0,0,0|1,0,0]=3 5733 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 1626a_100000209983_100000185839 [1,1,0,0,0,0|1,0,0]=3 5734 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 240690a_100000209983_100000185839 [1,1,0,0,0,0|1,0,0]=3 5735 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 527a_100000209983_100000185839 [1,1,0,0,0,0|1,0,0]=3 5736 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 11a_100000209983_100000188618 [1,1,0,0,0,0|1,0,0]=3 5737 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 1626a_100000209983_100000188618 [1,1,0,0,0,0|1,0,0]=3 5738 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 240690a_100000209983_100000188618 [1,1,0,0,0,0|1,0,0]=3 5739 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 527a_100000209983_100000188618 [1,1,0,0,0,0|1,0,0]=3 5740 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 11a_100000209983_100000210187 [1,1,0,0,0,0|1,0,0]=3 5741 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000209983_100000210187 [1,1,0,0,0,0|1,0,0]=3 5742 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000209983_100000210187 [1,1,0,0,0,0|1,0,0]=3 5743 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 527a_100000209983_100000210187 [1,1,0,0,0,0|1,0,0]=3 5744 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 11a_100000209983_100000187176 [1,1,0,0,0,0|1,0,0]=3 5745 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 1626a_100000209983_100000187176 [1,1,0,0,0,0|1,0,0]=3 5746 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 240690a_100000209983_100000187176 [1,1,0,0,0,0|1,0,0]=3 5747 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 527a_100000209983_100000187176 [1,1,0,0,0,0|1,0,0]=3 5748 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 11a_100000209983_100000187904 [1,1,0,0,0,0|1,0,0]=3 5749 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 1626a_100000209983_100000187904 [1,1,0,0,0,0|1,0,0]=3 5750 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 240690a_100000209983_100000187904 [1,1,0,0,0,0|1,0,0]=3 5751 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 527a_100000209983_100000187904 [1,1,0,0,0,0|1,0,0]=3 5752 B15R1.30 CCCCCNC(=O)c1ccc(cc1)O 240690a_100000209983_100000212099 [1,1,0,0,0,0|1,0,0]=3 5753 B15R1.30 CCCCCNC(=O)c1ccc(cc1)O 527a_100000209983_100000212099 [1,1,0,0,0,0|1,0,0]=3 5754 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 34a_100000210253_100000755118 [1,1,0,0,0,0|1,0,1]=4 5755 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000718602 [1,1,0,0,0,0|1,0,1]=4 5756 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210326 [1,1,0,0,0,0|1,0,1]=4 5757 B15R1.30 CCCCCOC(C)c1ccc(cc1)C 34a_100000210253_100011261388 [1,1,0,0,0,0|1,0,1]=4 5758 B15R1.30 CCCCCOC(C)c1ccc(cc1)C 7a_100000210253_100011261388 [1,1,0,0,0,0|1,0,1]=4 5759 B15R1.30 CCCCCOC(C)c1ccc(cc1)Cl 7a_100000210253_100000684792 [1,1,0,0,0,0|1,0,1]=4 5760 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000718602 [1,1,0,0,0,0|1,0,1]=4 5761 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 34a_100000210253_100000743420 [1,1,0,0,0,0|1,0,1]=4 5762 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210326 [1,1,0,0,0,0|1,0,1]=4 5763 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 7a_100000210253_100000743420 [1,1,0,0,0,0|1,0,1]=4 5764 B15R1.30 CCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000718602 [1,1,0,0,0,0|1,0,1]=4 5765 B15R1.30 CCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000718602 [1,1,0,0,0,0|1,0,1]=4 5766 B15R1.30 CCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210326 [1,1,0,0,0,0|1,0,1]=4 5767 B15R1.30 CCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000718602 [1,1,0,0,0,0|1,0,1]=4 5768 B15R1.30 CCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210326 [1,1,0,0,0,0|1,0,1]=4 5769 B15R1.30 CCCCNCC(=O)c1ccc(cc1)Br 7a_106832991798_100000188085 [1,1,0,0,0,0|1,0,0]=3 5770 B15R1.30 CCCCNCC(=O)c1ccc(cc1)C 2230a_100000102301_100000211441 [1,1,0,0,0,0|1,0,0]=3 5771 B15R1.30 CCCCNCC(=O)c1ccc(cc1)C 7a_106832991798_100000211441 [1,1,0,0,0,0|1,0,0]=3 5772 B15R1.30 CCCCNCC(=O)c1ccc(cc1)Cl 7a_106832991798_100000211071 [1,1,0,0,0,0|1,0,0]=3 5773 B15R1.30 CCCCNCC(=O)c1ccc(cc1)F 7a_106832991798_100000211279 [1,1,0,0,0,0|1,0,0]=3 5774 B15R1.30 CCCCNCC(=O)c1ccc(cc1)I 7a_106832991798_100011216261 [1,1,0,0,0,0|1,0,0]=3 5775 B15R1.30 CCCCNCC(=O)c1ccc(cc1)O 7a_106832991798_100000018856 [1,1,0,0,0,0|1,0,0]=3 5776 B15R1.30 CCCCNCC(=O)c1ccc(cn1)Cl 7a_106832991798_100016989621 [1,1,0,0,0,0|2,0,0]=4 5777 B15R1.30 CCCCNNC(=O)c1ccc(cc1)Br 22a_100025702795_100000185839 [1,1,0,0,0,0|2,0,0]=4 5778 B15R1.30 CCCCNNC(=O)c1ccc(cc1)C 22a_100025702795_100000188618 [1,1,0,0,0,0|2,0,0]=4 5779 B15R1.30 CCCCNNC(=O)c1ccc(cc1)Cl 22a_100025702795_100000210187 [1,1,0,0,0,0|2,0,0]=4 5780 B15R1.30 CCCCNNC(=O)c1ccc(cc1)F 22a_100025702795_100000187176 [1,1,0,0,0,0|2,0,0]=4 5781 B15R1.30 CCCCNNC(=O)c1ccc(cc1)I 22a_100025702795_100000187904 [1,1,0,0,0,0|2,0,0]=4 5782 B15R1.30 CCCCNNC(=O)c1ccc(cc1)O 22a_100025702795_100000212099 [1,1,0,0,0,0|2,0,0]=4 5783 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011995733 [1,1,0,0,0,0|1,0,0]=3 5784 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 34a_100000210227_100000188085 [1,1,0,0,0,0|1,0,0]=3 5785 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 7a_100000210227_100000188085 [1,1,0,0,0,0|1,0,0]=3 5786 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 1458a_100000188618_100011995733 [1,1,0,0,0,0|1,0,0]=3 5787 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 34a_100000210227_100000211441 [1,1,0,0,0,0|1,0,0]=3 5788 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 7a_100000210227_100000211441 [1,1,0,0,0,0|1,0,0]=3 5789 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011995733 [1,1,0,0,0,0|1,0,0]=3 5790 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Cl 7a_100000210227_100000211071 [1,1,0,0,0,0|1,0,0]=3 5791 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 1458a_100000187176_100011995733 [1,1,0,0,0,0|1,0,0]=3 5792 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210210 [1,1,0,0,0,0|1,0,0]=3 5793 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 7a_100000210227_100000211279 [1,1,0,0,0,0|1,0,0]=3 5794 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 1458a_100000187904_100011995733 [1,1,0,0,0,0|1,0,0]=3 5795 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 34a_100000210227_100011216261 [1,1,0,0,0,0|1,0,0]=3 5796 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 7a_100000210227_100011216261 [1,1,0,0,0,0|1,0,0]=3 5797 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 1458a_100000212099_100011995733 [1,1,0,0,0,0|1,0,0]=3 5798 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 34a_100000210227_100009814261 [1,1,0,0,0,0|1,0,0]=3 5799 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 7a_100000210227_100000018856 [1,1,0,0,0,0|1,0,0]=3 5800 B15R1.30 CCCCOCC(=O)c1ccc(cn1)Cl 7a_100000210227_100016989621 [1,1,0,0,0,0|2,0,0]=4 5801 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210210 [1,1,0,0,0,0|1,0,0]=3 5802 B15R1.30 CCCCSCC(=O)c1ccc(cc1)C 62a_100000210211_100000211441 [1,1,0,0,0,0|1,0,0]=3 5803 B15R1.30 CCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210210 [1,1,0,0,0,0|1,0,0]=3 5804 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Cl 62a_100000210211_100000211071 [1,1,0,0,0,0|1,0,0]=3 5805 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210210 [1,1,0,0,0,0|1,0,0]=3 5806 B15R1.30 CCCCSCC(=O)c1ccc(cc1)F 62a_100000210211_100000211279 [1,1,0,0,0,0|1,0,0]=3 5807 B15R1.30 CCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210210 [1,1,0,0,0,0|1,0,0]=3 5808 B15R1.30 CCCCSCC(=O)c1ccc(cc1)I 62a_100000210211_100011216261 [1,1,0,0,0,0|1,0,0]=3 5809 B15R1.30 CCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210210 [1,1,0,0,0,0|1,0,0]=3 5810 B15R1.30 CCCCSCC(=O)c1ccc(cc1)O 62a_100000210211_100009814261 [1,1,0,0,0,0|1,0,0]=3 5811 B15R1.30 CCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210210 [1,1,0,0,0,0|1,0,0]=3 5812 B15R1.30 CCCCSCC(=O)c1ccc(cn1)Cl 62a_100000210211_100016989621 [1,1,0,0,0,0|2,0,0]=4 5813 B15R1.30 CCCCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210210 [1,1,0,0,0,0|2,0,0]=4 5814 B15R1.30 CCCCSCC(=O)c1ccc(nc1)C 62a_100000210211_100012027583 [1,1,0,0,0,0|2,0,0]=4 5815 B15R1.30 CCCCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210210 [1,1,0,0,0,0|2,0,0]=4 5816 B15R1.30 CCCCSCC(=O)c1ccc(nc1)Cl 62a_100000210211_100009864725 [1,1,0,0,0,0|2,0,0]=4 5817 B15R1.30 CCCCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210210 [1,1,0,0,0,0|2,0,0]=4 5818 B15R1.30 CCCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215938 [1,1,0,0,0,0|1,0,0]=3 5819 B15R1.30 CCCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215938 [1,1,0,0,0,0|1,0,0]=3 5820 B15R1.30 CCCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215938 [1,1,0,0,0,0|1,0,0]=3 5821 B15R1.30 CCCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215938 [1,1,0,0,0,0|1,0,0]=3 5822 B15R1.30 CCCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215938 [1,1,0,0,0,0|1,0,0]=3 5823 B15R1.30 CCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215938 [1,1,0,0,0,0|1,0,0]=3 5824 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Br 62a_100000210303_100011215963 [1,1,0,0,0,0|1,0,0]=3 5825 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210303 [1,1,0,0,0,0|1,0,0]=3 5826 B15R1.30 CCCSCCC(=O)c1ccc(cc1)C 62a_100000210303_100000701375 [1,1,0,0,0,0|1,0,0]=3 5827 B15R1.30 CCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210303 [1,1,0,0,0,0|1,0,0]=3 5828 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Cl 62a_100000210303_100011216492 [1,1,0,0,0,0|1,0,0]=3 5829 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210303 [1,1,0,0,0,0|1,0,0]=3 5830 B15R1.30 CCCSCCC(=O)c1ccc(cc1)F 62a_100000210303_100000211231 [1,1,0,0,0,0|1,0,0]=3 5831 B15R1.30 CCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210303 [1,1,0,0,0,0|1,0,0]=3 5832 B15R1.30 CCCSCCC(=O)c1ccc(cc1)O 62a_100000210303_100009879949 [1,1,0,0,0,0|1,0,0]=3 5833 B15R1.30 CCNCCCC(=O)c1ccc(cc1)Br 2230a_100015525214_100000211046 [1,1,0,0,0,0|1,0,0]=3 5834 B15R1.30 CCNCCCC(=O)c1ccc(cc1)F 2230a_100015525214_100000211961 [1,1,0,0,0,0|1,0,0]=3 5835 B15R1.30 CCNCCCC(=O)c1ccc(cc1)O 2230a_100015525214_100000039620 [1,1,0,0,0,0|1,0,0]=3 5836 B15R1.30 CCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000210202 [1,1,0,0,0,0|2,0,0]=4 5837 B15R1.30 CCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000210202 [1,1,0,0,0,0|2,0,0]=4 5838 B15R1.30 CCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000210202 [1,1,0,0,0,0|2,0,0]=4 5839 B15R1.30 CCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000210202 [1,1,0,0,0,0|2,0,0]=4 5840 B15R1.30 CCOCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012232248 [1,1,0,0,0,0|1,0,0]=3 5841 B15R1.30 CCOCCCC(=O)c1ccc(cc1)Br 34a_100121572206_100000211046 [1,1,0,0,0,0|1,0,0]=3 5842 B15R1.30 CCOCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100012232248 [1,1,0,0,0,0|1,0,0]=3 5843 B15R1.30 CCOCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012232248 [1,1,0,0,0,0|1,0,0]=3 5844 B15R1.30 CCOCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100012232248 [1,1,0,0,0,0|1,0,0]=3 5845 B15R1.30 CCOCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100012232248 [1,1,0,0,0,0|1,0,0]=3 5846 B15R1.30 CCOCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100012232248 [1,1,0,0,0,0|1,0,0]=3 5847 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 11a_100011200944_100000185839 [1,1,0,0,0,0|2,0,0]=4 5848 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 1626a_102516460346_100000185839 [1,1,0,0,0,0|2,0,0]=4 5849 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 240690a_100011200944_100000185839 [1,1,0,0,0,0|2,0,0]=4 5850 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000210202 [1,1,0,0,0,0|2,0,0]=4 5851 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 527a_100011200944_100000185839 [1,1,0,0,0,0|2,0,0]=4 5852 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 11a_100011200944_100000188618 [1,1,0,0,0,0|2,0,0]=4 5853 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 1626a_102516460346_100000188618 [1,1,0,0,0,0|2,0,0]=4 5854 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 240690a_100011200944_100000188618 [1,1,0,0,0,0|2,0,0]=4 5855 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100000210202 [1,1,0,0,0,0|2,0,0]=4 5856 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 527a_100011200944_100000188618 [1,1,0,0,0,0|2,0,0]=4 5857 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000210202 [1,1,0,0,0,0|2,0,0]=4 5858 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 11a_100011200944_100000210187 [1,1,0,0,0,0|2,0,0]=4 5859 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 1626a_102516460346_100000210187 [1,1,0,0,0,0|2,0,0]=4 5860 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 240690a_100011200944_100000210187 [1,1,0,0,0,0|2,0,0]=4 5861 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 527a_100011200944_100000210187 [1,1,0,0,0,0|2,0,0]=4 5862 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 11a_100011200944_100000187176 [1,1,0,0,0,0|2,0,0]=4 5863 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 1626a_102516460346_100000187176 [1,1,0,0,0,0|2,0,0]=4 5864 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 240690a_100011200944_100000187176 [1,1,0,0,0,0|2,0,0]=4 5865 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 527a_100011200944_100000187176 [1,1,0,0,0,0|2,0,0]=4 5866 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 11a_100011200944_100000187904 [1,1,0,0,0,0|2,0,0]=4 5867 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 1626a_102516460346_100000187904 [1,1,0,0,0,0|2,0,0]=4 5868 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 240690a_100011200944_100000187904 [1,1,0,0,0,0|2,0,0]=4 5869 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 527a_100011200944_100000187904 [1,1,0,0,0,0|2,0,0]=4 5870 B15R1.30 CCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000210202 [1,1,0,0,0,0|2,0,0]=4 5871 B15R1.30 CCOCCNC(=O)c1ccc(cc1)O 240690a_100011200944_100000212099 [1,1,0,0,0,0|2,0,0]=4 5872 B15R1.30 CCOCCNC(=O)c1ccc(cc1)O 527a_100011200944_100000212099 [1,1,0,0,0,0|2,0,0]=4 5873 B15R1.30 CCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000210202 [1,1,0,0,0,0|1,0,0]=3 5874 B15R1.30 CCOCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000739092 [1,1,0,0,0,0|2,0,0]=4 5875 B15R1.30 CCOCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000739092 [1,1,0,0,0,0|2,0,0]=4 5876 B15R1.30 CCOCSCC(=O)c1ccc(cc1)C 62a_100000739092_100000211441 [1,1,0,0,0,0|2,0,0]=4 5877 B15R1.30 CCOCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000739092 [1,1,0,0,0,0|2,0,0]=4 5878 B15R1.30 CCOCSCC(=O)c1ccc(cc1)Cl 62a_100000739092_100000211071 [1,1,0,0,0,0|2,0,0]=4 5879 B15R1.30 CCOCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000739092 [1,1,0,0,0,0|2,0,0]=4 5880 B15R1.30 CCOCSCC(=O)c1ccc(cc1)F 62a_100000739092_100000211279 [1,1,0,0,0,0|2,0,0]=4 5881 B15R1.30 CCOCSCC(=O)c1ccc(cc1)I 62a_100000739092_100011216261 [1,1,0,0,0,0|2,0,0]=4 5882 B15R1.30 CCOCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000739092 [1,1,0,0,0,0|2,0,0]=4 5883 B15R1.30 CCOCSCC(=O)c1ccc(cc1)O 62a_100000739092_100009814261 [1,1,0,0,0,0|2,0,0]=4 5884 B15R1.30 CCOCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000739092 [1,1,0,0,0,0|2,0,0]=4 5885 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Br 62a_100000210202_100000211046 [1,1,0,0,0,0|1,0,0]=3 5886 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000210202 [1,1,0,0,0,0|1,0,0]=3 5887 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Cl 62a_100000210202_200011217871 [1,1,0,0,0,0|1,0,0]=3 5888 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000210202 [1,1,0,0,0,0|1,0,0]=3 5889 B15R1.30 CCSCCCC(=O)c1ccc(cc1)F 62a_100000210202_100000211961 [1,1,0,0,0,0|1,0,0]=3 5890 B15R1.30 CCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000210202 [1,1,0,0,0,0|1,0,0]=3 5891 B15R1.30 CCSCCCC(=O)c1ccc(cc1)O 62a_100000210202_100000039620 [1,1,0,0,0,0|1,0,0]=3 5892 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 11a_100000106463_100000185839 [1,1,0,0,0,0|2,0,0]=4 5893 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 1626a_100000106463_100000185839 [1,1,0,0,0,0|2,0,0]=4 5894 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 240690a_100000106463_100000185839 [1,1,0,0,0,0|2,0,0]=4 5895 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 527a_100000106463_100000185839 [1,1,0,0,0,0|2,0,0]=4 5896 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 11a_100000106463_100000188618 [1,1,0,0,0,0|2,0,0]=4 5897 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 1626a_100000106463_100000188618 [1,1,0,0,0,0|2,0,0]=4 5898 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 240690a_100000106463_100000188618 [1,1,0,0,0,0|2,0,0]=4 5899 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 527a_100000106463_100000188618 [1,1,0,0,0,0|2,0,0]=4 5900 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 11a_100000106463_100000210187 [1,1,0,0,0,0|2,0,0]=4 5901 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 1626a_100000106463_100000210187 [1,1,0,0,0,0|2,0,0]=4 5902 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 240690a_100000106463_100000210187 [1,1,0,0,0,0|2,0,0]=4 5903 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 527a_100000106463_100000210187 [1,1,0,0,0,0|2,0,0]=4 5904 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 11a_100000106463_100000187176 [1,1,0,0,0,0|2,0,0]=4 5905 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 1626a_100000106463_100000187176 [1,1,0,0,0,0|2,0,0]=4 5906 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 240690a_100000106463_100000187176 [1,1,0,0,0,0|2,0,0]=4 5907 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 527a_100000106463_100000187176 [1,1,0,0,0,0|2,0,0]=4 5908 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 11a_100000106463_100000187904 [1,1,0,0,0,0|2,0,0]=4 5909 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 1626a_100000106463_100000187904 [1,1,0,0,0,0|2,0,0]=4 5910 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 240690a_100000106463_100000187904 [1,1,0,0,0,0|2,0,0]=4 5911 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 527a_100000106463_100000187904 [1,1,0,0,0,0|2,0,0]=4 5912 B15R1.30 CCSCCNC(=O)c1ccc(cc1)O 240690a_100000106463_100000212099 [1,1,0,0,0,0|2,0,0]=4 5913 B15R1.30 CCSCCNC(=O)c1ccc(cc1)O 527a_100000106463_100000212099 [1,1,0,0,0,0|2,0,0]=4 5914 B15R1.30 COCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000755781 [1,1,0,0,0,0|1,0,0]=3 5915 B15R1.30 COCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000755781 [1,1,0,0,0,0|1,0,0]=3 5916 B15R1.30 COCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000755781 [1,1,0,0,0,0|1,0,0]=3 5917 B15R1.30 COCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000755781 [1,1,0,0,0,0|1,0,0]=3 5918 B15R1.30 COCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000755781 [1,1,0,0,0,0|1,0,0]=3 5919 B15R1.30 COCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000755781 [1,1,0,0,0,0|1,0,0]=3 5920 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br 1626a_100150723488_100000185839 [1,1,0,0,0,0|2,0,0]=4 5921 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br 240690a_100150723488_100000185839 [1,1,0,0,0,0|2,0,0]=4 5922 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br 527a_100150723488_100000185839 [1,1,0,0,0,0|2,0,0]=4 5923 B15R1.30 COCCCNC(=O)c1ccc(cc1)C 1626a_100150723488_100000188618 [1,1,0,0,0,0|2,0,0]=4 5924 B15R1.30 COCCCNC(=O)c1ccc(cc1)C 240690a_100150723488_100000188618 [1,1,0,0,0,0|2,0,0]=4 5925 B15R1.30 COCCCNC(=O)c1ccc(cc1)C 527a_100150723488_100000188618 [1,1,0,0,0,0|2,0,0]=4 5926 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl 1626a_100150723488_100000210187 [1,1,0,0,0,0|2,0,0]=4 5927 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl 240690a_100150723488_100000210187 [1,1,0,0,0,0|2,0,0]=4 5928 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl 527a_100150723488_100000210187 [1,1,0,0,0,0|2,0,0]=4 5929 B15R1.30 COCCCNC(=O)c1ccc(cc1)F 1626a_100150723488_100000187176 [1,1,0,0,0,0|2,0,0]=4 5930 B15R1.30 COCCCNC(=O)c1ccc(cc1)F 240690a_100150723488_100000187176 [1,1,0,0,0,0|2,0,0]=4 5931 B15R1.30 COCCCNC(=O)c1ccc(cc1)F 527a_100150723488_100000187176 [1,1,0,0,0,0|2,0,0]=4 5932 B15R1.30 COCCCNC(=O)c1ccc(cc1)I 1626a_100150723488_100000187904 [1,1,0,0,0,0|2,0,0]=4 5933 B15R1.30 COCCCNC(=O)c1ccc(cc1)I 240690a_100150723488_100000187904 [1,1,0,0,0,0|2,0,0]=4 5934 B15R1.30 COCCCNC(=O)c1ccc(cc1)I 527a_100150723488_100000187904 [1,1,0,0,0,0|2,0,0]=4 5935 B15R1.30 COCCCNC(=O)c1ccc(cc1)O 240690a_100150723488_100000212099 [1,1,0,0,0,0|2,0,0]=4 5936 B15R1.30 COCCCNC(=O)c1ccc(cc1)O 527a_100150723488_100000212099 [1,1,0,0,0,0|2,0,0]=4 5937 B15R1.30 COCCNCC(=O)c1ccc(cc1)C 2230a_100000209980_100000211441 [1,1,0,0,0,0|2,0,0]=4 5938 B15R1.30 COCCOCC(=O)c1ccc(cc1)Br 34a_100000210237_100000188085 [1,1,0,0,0,0|2,0,0]=4 5939 B15R1.30 COCCOCC(=O)c1ccc(cc1)C 34a_100000210237_100000211441 [1,1,0,0,0,0|2,0,0]=4 5940 B15R1.30 COCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100011201679 [1,1,0,0,0,0|2,0,0]=4 5941 B15R1.30 COCCOCC(=O)c1ccc(cc1)I 34a_100000210237_100011216261 [1,1,0,0,0,0|2,0,0]=4 5942 B15R1.30 COCCOCC(=O)c1ccc(cc1)O 34a_100000210237_100009814261 [1,1,0,0,0,0|2,0,0]=4 5943 B15R1.30 COCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000233755 [1,1,0,0,0,0|2,0,0]=4 5944 B15R1.30 COCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000233755 [1,1,0,0,0,0|2,0,0]=4 5945 B15R1.30 COCCSCC(=O)c1ccc(cc1)C 62a_100000233755_100000211441 [1,1,0,0,0,0|2,0,0]=4 5946 B15R1.30 COCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000233755 [1,1,0,0,0,0|2,0,0]=4 5947 B15R1.30 COCCSCC(=O)c1ccc(cc1)Cl 62a_100000233755_100000211071 [1,1,0,0,0,0|2,0,0]=4 5948 B15R1.30 COCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000233755 [1,1,0,0,0,0|2,0,0]=4 5949 B15R1.30 COCCSCC(=O)c1ccc(cc1)F 62a_100000233755_100000211279 [1,1,0,0,0,0|2,0,0]=4 5950 B15R1.30 COCCSCC(=O)c1ccc(cc1)I 62a_100000233755_100011216261 [1,1,0,0,0,0|2,0,0]=4 5951 B15R1.30 COCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000233755 [1,1,0,0,0,0|2,0,0]=4 5952 B15R1.30 COCCSCC(=O)c1ccc(cc1)O 62a_100000233755_100009814261 [1,1,0,0,0,0|2,0,0]=4 5953 B15R1.30 COCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000233755 [1,1,0,0,0,0|2,0,0]=4 5954 B15R1.30 COCSCCC(=O)c1ccc(cc1)Br 62a_100000766300_100011215963 [1,1,0,0,0,0|2,0,0]=4 5955 B15R1.30 COCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000766300 [1,1,0,0,0,0|2,0,0]=4 5956 B15R1.30 COCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000766300 [1,1,0,0,0,0|2,0,0]=4 5957 B15R1.30 COCSCCC(=O)c1ccc(cc1)C 62a_100000766300_100000701375 [1,1,0,0,0,0|2,0,0]=4 5958 B15R1.30 COCSCCC(=O)c1ccc(cc1)Cl 62a_100000766300_100011216492 [1,1,0,0,0,0|2,0,0]=4 5959 B15R1.30 COCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000766300 [1,1,0,0,0,0|2,0,0]=4 5960 B15R1.30 COCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000766300 [1,1,0,0,0,0|2,0,0]=4 5961 B15R1.30 COCSCCC(=O)c1ccc(cc1)F 62a_100000766300_100000211231 [1,1,0,0,0,0|2,0,0]=4 5962 B15R1.30 COCSCCC(=O)c1ccc(cc1)O 62a_100000766300_100009879949 [1,1,0,0,0,0|2,0,0]=4 5963 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 11a_100000749238_100000185839 [1,1,0,0,0,0|2,0,0]=4 5964 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 1626a_100000749238_100000185839 [1,1,0,0,0,0|2,0,0]=4 5965 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 240690a_100000749238_100000185839 [1,1,0,0,0,0|2,0,0]=4 5966 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 527a_100000749238_100000185839 [1,1,0,0,0,0|2,0,0]=4 5967 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 11a_100000749238_100000188618 [1,1,0,0,0,0|2,0,0]=4 5968 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 1626a_100000749238_100000188618 [1,1,0,0,0,0|2,0,0]=4 5969 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 240690a_100000749238_100000188618 [1,1,0,0,0,0|2,0,0]=4 5970 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 527a_100000749238_100000188618 [1,1,0,0,0,0|2,0,0]=4 5971 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 11a_100000749238_100000210187 [1,1,0,0,0,0|2,0,0]=4 5972 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 1626a_100000749238_100000210187 [1,1,0,0,0,0|2,0,0]=4 5973 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 240690a_100000749238_100000210187 [1,1,0,0,0,0|2,0,0]=4 5974 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 527a_100000749238_100000210187 [1,1,0,0,0,0|2,0,0]=4 5975 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 11a_100000749238_100000187176 [1,1,0,0,0,0|2,0,0]=4 5976 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 1626a_100000749238_100000187176 [1,1,0,0,0,0|2,0,0]=4 5977 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 240690a_100000749238_100000187176 [1,1,0,0,0,0|2,0,0]=4 5978 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 527a_100000749238_100000187176 [1,1,0,0,0,0|2,0,0]=4 5979 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 11a_100000749238_100000187904 [1,1,0,0,0,0|2,0,0]=4 5980 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 1626a_100000749238_100000187904 [1,1,0,0,0,0|2,0,0]=4 5981 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 240690a_100000749238_100000187904 [1,1,0,0,0,0|2,0,0]=4 5982 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 527a_100000749238_100000187904 [1,1,0,0,0,0|2,0,0]=4 5983 B15R1.30 CSCCCNC(=O)c1ccc(cc1)O 240690a_100000749238_100000212099 [1,1,0,0,0,0|2,0,0]=4 5984 B15R1.30 CSCCCNC(=O)c1ccc(cc1)O 527a_100000749238_100000212099 [1,1,0,0,0,0|2,0,0]=4 5985 B15R1.30 CSCCNCC(=O)c1ccc(cc1)C 2230a_100020590264_100000211441 [1,1,0,0,0,0|2,0,0]=4 5986 B15R1.30 CSCCOCC(=O)c1ccc(cc1)Br 34a_100000230434_100000188085 [1,1,0,0,0,0|2,0,0]=4 5987 B15R1.30 CSCCOCC(=O)c1ccc(cc1)Br 7a_100000230434_100000188085 [1,1,0,0,0,0|2,0,0]=4 5988 B15R1.30 CSCCOCC(=O)c1ccc(cc1)C 34a_100000230434_100000211441 [1,1,0,0,0,0|2,0,0]=4 5989 B15R1.30 CSCCOCC(=O)c1ccc(cc1)C 7a_100000230434_100000211441 [1,1,0,0,0,0|2,0,0]=4 5990 B15R1.30 CSCCOCC(=O)c1ccc(cc1)Cl 7a_100000230434_100000211071 [1,1,0,0,0,0|2,0,0]=4 5991 B15R1.30 CSCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000212216 [1,1,0,0,0,0|2,0,0]=4 5992 B15R1.30 CSCCOCC(=O)c1ccc(cc1)F 7a_100000230434_100000211279 [1,1,0,0,0,0|2,0,0]=4 5993 B15R1.30 CSCCOCC(=O)c1ccc(cc1)I 34a_100000230434_100011216261 [1,1,0,0,0,0|2,0,0]=4 5994 B15R1.30 CSCCOCC(=O)c1ccc(cc1)I 7a_100000230434_100011216261 [1,1,0,0,0,0|2,0,0]=4 5995 B15R1.30 CSCCOCC(=O)c1ccc(cc1)O 34a_100000230434_100009814261 [1,1,0,0,0,0|2,0,0]=4 5996 B15R1.30 CSCCOCC(=O)c1ccc(cc1)O 7a_100000230434_100000018856 [1,1,0,0,0,0|2,0,0]=4 5997 B15R1.30 CSCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000751147 [1,1,0,0,0,0|2,0,0]=4 5998 B15R1.30 CSCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000751147 [1,1,0,0,0,0|2,0,0]=4 5999 B15R1.30 CSCCSCC(=O)c1ccc(cc1)C 62a_100000212216_100000211441 [1,1,0,0,0,0|2,0,0]=4 6000 B15R1.30 CSCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000751147 [1,1,0,0,0,0|2,0,0]=4 6001 B15R1.30 CSCCSCC(=O)c1ccc(cc1)Cl 62a_100000212216_100000211071 [1,1,0,0,0,0|2,0,0]=4 6002 B15R1.30 CSCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000751147 [1,1,0,0,0,0|2,0,0]=4 6003 B15R1.30 CSCCSCC(=O)c1ccc(cc1)F 62a_100000212216_100000211279 [1,1,0,0,0,0|2,0,0]=4 6004 B15R1.30 CSCCSCC(=O)c1ccc(cc1)I 62a_100000212216_100011216261 [1,1,0,0,0,0|2,0,0]=4 6005 B15R1.30 CSCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000751147 [1,1,0,0,0,0|2,0,0]=4 6006 B15R1.30 CSCCSCC(=O)c1ccc(cc1)O 62a_100000212216_100009814261 [1,1,0,0,0,0|2,0,0]=4 6007 B15R1.30 CSCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000751147 [1,1,0,0,0,0|2,0,0]=4 6008 B15R1.30 CSCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100011218213 [1,1,0,0,0,0|2,0,0]=4 6009 B15R1.30 CSCSCCC(=O)c1ccc(cc1)Br 62a_100011218213_100011215963 [1,1,0,0,0,0|2,0,0]=4 6010 B15R1.30 CSCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100011218213 [1,1,0,0,0,0|2,0,0]=4 6011 B15R1.30 CSCSCCC(=O)c1ccc(cc1)C 62a_100011218213_100000701375 [1,1,0,0,0,0|2,0,0]=4 6012 B15R1.30 CSCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100011218213 [1,1,0,0,0,0|2,0,0]=4 6013 B15R1.30 CSCSCCC(=O)c1ccc(cc1)Cl 62a_100011218213_100011216492 [1,1,0,0,0,0|2,0,0]=4 6014 B15R1.30 CSCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100011218213 [1,1,0,0,0,0|2,0,0]=4 6015 B15R1.30 CSCSCCC(=O)c1ccc(cc1)F 62a_100011218213_100000211231 [1,1,0,0,0,0|2,0,0]=4 6016 B15R1.30 CSCSCCC(=O)c1ccc(cc1)O 62a_100011218213_100009879949 [1,1,0,0,0,0|2,0,0]=4 6017 B15R1.30 Cc1ccc(cc1)C(=O)CCCCC#N 1458a_100000188618_100000211819 [1,1,0,0,0,0|1,0,1]=4 6018 B15R1.30 Cc1ccc(cc1)C(=O)CCCCCF 1458a_100000188618_100000729378 [1,1,0,0,0,0|1,0,0]=3 6019 B15R1.30 Cc1ccc(cc1)C(=O)CCCCCO 1458a_100000188618_100000746330 [1,1,0,0,0,0|1,0,0]=3 6020 B15R1.30 Cc1ccc(cc1)C(=O)CCNCCO 2230a_100016997473_100000701375 [1,1,0,0,0,0|2,0,0]=4 6021 B15R1.30 Cc1ccc(cc1)C(=O)CCOCCO 1458a_100000188618_100011215305 [1,1,0,0,0,0|2,0,0]=4 6022 B15R1.30 Cc1ccc(cc1)C(=O)CCSCCF 62a_100000701375_100011217306 [1,1,0,0,0,0|2,0,0]=4 6023 B15R1.30 Cc1ccc(cc1)C(=O)CCSCCF 62a_100011217306_100000701375 [1,1,0,0,0,0|2,0,0]=4 6024 B15R1.30 Cc1ccc(cc1)C(=O)CCSCCO 62a_100000211926_100000701375 [1,1,0,0,0,0|2,0,0]=4 6025 B15R1.30 Cc1ccc(cc1)C(=O)CCSCCO 62a_100000701375_100000211926 [1,1,0,0,0,0|2,0,0]=4 6026 B15R1.30 Cc1ccc(cc1)C(=O)CNCCCF 2230a_100015189416_100000211441 [1,1,0,0,0,0|2,0,0]=4 6027 B15R1.30 Cc1ccc(cc1)C(=O)CNCCCF 34a_100015189416_100000211441 [1,1,0,0,0,0|2,0,0]=4 6028 B15R1.30 Cc1ccc(cc1)C(=O)COCCCBr 34a_100011217188_100000211441 [1,1,0,0,0,0|2,0,0]=4 6029 B15R1.30 Cc1ccc(cc1)C(=O)COCCCCl 34a_100000230001_100000211441 [1,1,0,0,0,0|2,0,0]=4 6030 B15R1.30 Cc1ccc(cc1)C(=O)COCCCF 34a_100000759539_100000211441 [1,1,0,0,0,0|2,0,0]=4 6031 B15R1.30 Cc1ccc(cc1)C(=O)COCCCN 34a_100000182051_100000211441 [1,1,0,0,0,0|2,0,0]=4 6032 B15R1.30 Cc1ccc(cc1)C(=O)CSCCCF 62a_100000211441_100011934791 [1,1,0,0,0,0|2,0,0]=4 6033 B15R1.30 Cc1ccc(cc1)C(=O)CSCCCF 62a_100011934791_100000211441 [1,1,0,0,0,0|2,0,0]=4 6034 B15R1.30 Cc1ccc(cc1)C(=O)CSCCCO 62a_100000211441_100011215043 [1,1,0,0,0,0|2,0,0]=4 6035 B15R1.30 Cc1ccc(cc1)C(=O)CSCCCO 62a_100011215043_100000211441 [1,1,0,0,0,0|2,0,0]=4 6036 B15R1.30 Cc1ccc(cc1)C(=O)NCCCCO 240690a_100000750430_100000188618 [1,1,0,0,0,0|2,0,0]=4 6037 B15R1.30 Cc1ccc(cc1)C(=O)NCCCCO 527a_100000750430_100000188618 [1,1,0,0,0,0|2,0,0]=4 6038 B15R1.30 Cc1ccc(cc1)C(=O)OCCOCF 7a_200000031072_100015361967 [1,1,0,0,0,0|2,0,0]=4 6039 B15R1.30 N#CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000211819 [1,1,0,0,0,0|1,0,1]=4 6040 B15R1.30 N#CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000211819 [1,1,0,0,0,0|1,0,1]=4 6041 B15R1.30 N#CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000211819 [1,1,0,0,0,0|1,0,1]=4 6042 B15R1.30 N#CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000211819 [1,1,0,0,0,0|1,0,1]=4 6043 B15R1.30 N#CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000211819 [1,1,0,0,0,0|1,0,1]=4 6044 B15R1.30 NCCCOCC(=O)c1ccc(cc1)Br 34a_100000182051_100000188085 [1,1,0,0,0,0|2,0,0]=4 6045 B15R1.30 NCCCOCC(=O)c1ccc(cc1)I 34a_100000182051_100011216261 [1,1,0,0,0,0|2,0,0]=4 6046 B15R1.30 NCCCOCC(=O)c1ccc(cc1)O 34a_100000182051_100009814261 [1,1,0,0,0,0|2,0,0]=4 6047 B15R1.30 O=C(CCCCCF)c1ccc(cc1)Br 1458a_100000185839_100000729378 [1,1,0,0,0,0|1,0,0]=3 6048 B15R1.30 O=C(CCCCCF)c1ccc(cc1)Cl 1458a_100000210187_100000729378 [1,1,0,0,0,0|1,0,0]=3 6049 B15R1.30 O=C(CCCCCF)c1ccc(cc1)F 1458a_100000187176_100000729378 [1,1,0,0,0,0|1,0,0]=3 6050 B15R1.30 O=C(CCCCCF)c1ccc(cc1)I 1458a_100000187904_100000729378 [1,1,0,0,0,0|1,0,0]=3 6051 B15R1.30 O=C(CCCCCF)c1ccc(cc1)O 1458a_100000212099_100000729378 [1,1,0,0,0,0|1,0,0]=3 6052 B15R1.30 O=C(CCCCCO)c1ccc(cc1)Br 1458a_100000185839_100000746330 [1,1,0,0,0,0|1,0,0]=3 6053 B15R1.30 O=C(CCCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000746330 [1,1,0,0,0,0|1,0,0]=3 6054 B15R1.30 O=C(CCCCCO)c1ccc(cc1)F 1458a_100000187176_100000746330 [1,1,0,0,0,0|1,0,0]=3 6055 B15R1.30 O=C(CCCCCO)c1ccc(cc1)I 1458a_100000187904_100000746330 [1,1,0,0,0,0|1,0,0]=3 6056 B15R1.30 O=C(CCCCCO)c1ccc(cc1)O 1458a_100000212099_100000746330 [1,1,0,0,0,0|1,0,0]=3 6057 B15R1.30 O=C(CCCSCF)c1ccc(cc1)Br 62a_100000211046_100015361967 [1,1,0,0,0,0|2,0,0]=4 6058 B15R1.30 O=C(CCCSCF)c1ccc(cc1)Br 62a_100015361967_100000211046 [1,1,0,0,0,0|2,0,0]=4 6059 B15R1.30 O=C(CCCSCF)c1ccc(cc1)Cl 62a_100015361967_200011217871 [1,1,0,0,0,0|2,0,0]=4 6060 B15R1.30 O=C(CCCSCF)c1ccc(cc1)Cl 62a_200011217871_100015361967 [1,1,0,0,0,0|2,0,0]=4 6061 B15R1.30 O=C(CCCSCF)c1ccc(cc1)F 62a_100000211961_100015361967 [1,1,0,0,0,0|2,0,0]=4 6062 B15R1.30 O=C(CCCSCF)c1ccc(cc1)F 62a_100015361967_100000211961 [1,1,0,0,0,0|2,0,0]=4 6063 B15R1.30 O=C(CCCSCF)c1ccc(cc1)O 62a_100015361967_100000039620 [1,1,0,0,0,0|2,0,0]=4 6064 B15R1.30 O=C(CCNCCO)c1ccc(cc1)F 2230a_100016997473_100000211231 [1,1,0,0,0,0|2,0,0]=4 6065 B15R1.30 O=C(CCNCCO)c1ccc(cc1)O 2230a_100016997473_100009879949 [1,1,0,0,0,0|2,0,0]=4 6066 B15R1.30 O=C(CCOCCO)c1ccc(cc1)Br 1458a_100000185839_100011215305 [1,1,0,0,0,0|2,0,0]=4 6067 B15R1.30 O=C(CCOCCO)c1ccc(cc1)Cl 1458a_100000210187_100011215305 [1,1,0,0,0,0|2,0,0]=4 6068 B15R1.30 O=C(CCOCCO)c1ccc(cc1)F 1458a_100000187176_100011215305 [1,1,0,0,0,0|2,0,0]=4 6069 B15R1.30 O=C(CCOCCO)c1ccc(cc1)I 1458a_100000187904_100011215305 [1,1,0,0,0,0|2,0,0]=4 6070 B15R1.30 O=C(CCOCCO)c1ccc(cc1)O 1458a_100000212099_100011215305 [1,1,0,0,0,0|2,0,0]=4 6071 B15R1.30 O=C(CCSCCF)c1ccc(cc1)Br 62a_100011215963_100011217306 [1,1,0,0,0,0|2,0,0]=4 6072 B15R1.30 O=C(CCSCCF)c1ccc(cc1)Br 62a_100011217306_100011215963 [1,1,0,0,0,0|2,0,0]=4 6073 B15R1.30 O=C(CCSCCF)c1ccc(cc1)Cl 62a_100011216492_100011217306 [1,1,0,0,0,0|2,0,0]=4 6074 B15R1.30 O=C(CCSCCF)c1ccc(cc1)Cl 62a_100011217306_100011216492 [1,1,0,0,0,0|2,0,0]=4 6075 B15R1.30 O=C(CCSCCF)c1ccc(cc1)F 62a_100000211231_100011217306 [1,1,0,0,0,0|2,0,0]=4 6076 B15R1.30 O=C(CCSCCF)c1ccc(cc1)F 62a_100011217306_100000211231 [1,1,0,0,0,0|2,0,0]=4 6077 B15R1.30 O=C(CCSCCF)c1ccc(cc1)O 62a_100011217306_100009879949 [1,1,0,0,0,0|2,0,0]=4 6078 B15R1.30 O=C(CCSCCO)c1ccc(cc1)Br 62a_100000211926_100011215963 [1,1,0,0,0,0|2,0,0]=4 6079 B15R1.30 O=C(CCSCCO)c1ccc(cc1)Br 62a_100011215963_100000211926 [1,1,0,0,0,0|2,0,0]=4 6080 B15R1.30 O=C(CCSCCO)c1ccc(cc1)Cl 62a_100000211926_100011216492 [1,1,0,0,0,0|2,0,0]=4 6081 B15R1.30 O=C(CCSCCO)c1ccc(cc1)Cl 62a_100011216492_100000211926 [1,1,0,0,0,0|2,0,0]=4 6082 B15R1.30 O=C(CCSCCO)c1ccc(cc1)F 62a_100000211231_100000211926 [1,1,0,0,0,0|2,0,0]=4 6083 B15R1.30 O=C(CCSCCO)c1ccc(cc1)F 62a_100000211926_100000211231 [1,1,0,0,0,0|2,0,0]=4 6084 B15R1.30 O=C(CCSCCO)c1ccc(cc1)O 62a_100000211926_100009879949 [1,1,0,0,0,0|2,0,0]=4 6085 B15R1.30 O=C(CNCCCF)c1ccc(cc1)Br 34a_100015189416_100000188085 [1,1,0,0,0,0|2,0,0]=4 6086 B15R1.30 O=C(CNCCCF)c1ccc(cc1)I 34a_100015189416_100011216261 [1,1,0,0,0,0|2,0,0]=4 6087 B15R1.30 O=C(CNCCCF)c1ccc(cc1)O 34a_100015189416_100009814261 [1,1,0,0,0,0|2,0,0]=4 6088 B15R1.30 O=C(COCCCBr)c1ccc(cc1)Br 34a_100011217188_100000188085 [1,1,0,0,0,0|2,0,0]=4 6089 B15R1.30 O=C(COCCCBr)c1ccc(cc1)I 34a_100011217188_100011216261 [1,1,0,0,0,0|2,0,0]=4 6090 B15R1.30 O=C(COCCCBr)c1ccc(cc1)O 34a_100011217188_100009814261 [1,1,0,0,0,0|2,0,0]=4 6091 B15R1.30 O=C(COCCCCl)c1ccc(cc1)Br 34a_100000230001_100000188085 [1,1,0,0,0,0|2,0,0]=4 6092 B15R1.30 O=C(COCCCCl)c1ccc(cc1)I 34a_100000230001_100011216261 [1,1,0,0,0,0|2,0,0]=4 6093 B15R1.30 O=C(COCCCCl)c1ccc(cc1)O 34a_100000230001_100009814261 [1,1,0,0,0,0|2,0,0]=4 6094 B15R1.30 O=C(COCCCF)c1ccc(cc1)Br 34a_100000759539_100000188085 [1,1,0,0,0,0|2,0,0]=4 6095 B15R1.30 O=C(COCCCF)c1ccc(cc1)F 34a_100000246311_100011934791 [1,1,0,0,0,0|2,0,0]=4 6096 B15R1.30 O=C(COCCCF)c1ccc(cc1)I 34a_100000759539_100011216261 [1,1,0,0,0,0|2,0,0]=4 6097 B15R1.30 O=C(COCCCF)c1ccc(cc1)O 34a_100000759539_100009814261 [1,1,0,0,0,0|2,0,0]=4 6098 B15R1.30 O=C(COCCCO)c1ccc(cc1)F 34a_100000246311_100000230001 [1,1,0,0,0,0|2,0,0]=4 6099 B15R1.30 O=C(CSCCCF)c1ccc(cc1)Br 62a_100000188085_100011934791 [1,1,0,0,0,0|2,0,0]=4 6100 B15R1.30 O=C(CSCCCF)c1ccc(cc1)Cl 62a_100000211071_100011934791 [1,1,0,0,0,0|2,0,0]=4 6101 B15R1.30 O=C(CSCCCF)c1ccc(cc1)Cl 62a_100011934791_100000211071 [1,1,0,0,0,0|2,0,0]=4 6102 B15R1.30 O=C(CSCCCF)c1ccc(cc1)F 62a_100000211279_100011934791 [1,1,0,0,0,0|2,0,0]=4 6103 B15R1.30 O=C(CSCCCF)c1ccc(cc1)F 62a_100011934791_100000211279 [1,1,0,0,0,0|2,0,0]=4 6104 B15R1.30 O=C(CSCCCF)c1ccc(cc1)I 62a_100011216261_100011934791 [1,1,0,0,0,0|2,0,0]=4 6105 B15R1.30 O=C(CSCCCF)c1ccc(cc1)I 62a_100011934791_100011216261 [1,1,0,0,0,0|2,0,0]=4 6106 B15R1.30 O=C(CSCCCF)c1ccc(cc1)O 62a_100009814261_100011934791 [1,1,0,0,0,0|2,0,0]=4 6107 B15R1.30 O=C(CSCCCF)c1ccc(cc1)O 62a_100011934791_100009814261 [1,1,0,0,0,0|2,0,0]=4 6108 B15R1.30 O=C(CSCCCO)c1ccc(cc1)Br 62a_100000188085_100011215043 [1,1,0,0,0,0|2,0,0]=4 6109 B15R1.30 O=C(CSCCCO)c1ccc(cc1)Cl 62a_100000211071_100011215043 [1,1,0,0,0,0|2,0,0]=4 6110 B15R1.30 O=C(CSCCCO)c1ccc(cc1)Cl 62a_100011215043_100000211071 [1,1,0,0,0,0|2,0,0]=4 6111 B15R1.30 O=C(CSCCCO)c1ccc(cc1)F 62a_100000211279_100011215043 [1,1,0,0,0,0|2,0,0]=4 6112 B15R1.30 O=C(CSCCCO)c1ccc(cc1)F 62a_100011215043_100000211279 [1,1,0,0,0,0|2,0,0]=4 6113 B15R1.30 O=C(CSCCCO)c1ccc(cc1)I 62a_100011215043_100011216261 [1,1,0,0,0,0|2,0,0]=4 6114 B15R1.30 O=C(CSCCCO)c1ccc(cc1)I 62a_100011216261_100011215043 [1,1,0,0,0,0|2,0,0]=4 6115 B15R1.30 O=C(CSCCCO)c1ccc(cc1)O 62a_100009814261_100011215043 [1,1,0,0,0,0|2,0,0]=4 6116 B15R1.30 O=C(CSCCCO)c1ccc(cc1)O 62a_100011215043_100009814261 [1,1,0,0,0,0|2,0,0]=4 6117 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Br 240690a_100000750430_100000185839 [1,1,0,0,0,0|2,0,0]=4 6118 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Br 527a_100000750430_100000185839 [1,1,0,0,0,0|2,0,0]=4 6119 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Cl 240690a_100000750430_100000210187 [1,1,0,0,0,0|2,0,0]=4 6120 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Cl 527a_100000750430_100000210187 [1,1,0,0,0,0|2,0,0]=4 6121 B15R1.30 O=C(NCCCCO)c1ccc(cc1)F 240690a_100000750430_100000187176 [1,1,0,0,0,0|2,0,0]=4 6122 B15R1.30 O=C(NCCCCO)c1ccc(cc1)F 527a_100000750430_100000187176 [1,1,0,0,0,0|2,0,0]=4 6123 B15R1.30 O=C(NCCCCO)c1ccc(cc1)I 240690a_100000750430_100000187904 [1,1,0,0,0,0|2,0,0]=4 6124 B15R1.30 O=C(NCCCCO)c1ccc(cc1)I 527a_100000750430_100000187904 [1,1,0,0,0,0|2,0,0]=4 6125 B15R1.30 O=C(NCCCCO)c1ccc(cc1)O 240690a_100000750430_100000212099 [1,1,0,0,0,0|2,0,0]=4 6126 B15R1.30 O=C(NCCCCO)c1ccc(cc1)O 527a_100000750430_100000212099 [1,1,0,0,0,0|2,0,0]=4 6127 B15R1.30 [2H]C(OCCCCC)c1ccc(cc1)F 34a_217856618577_100000718602 [1,1,0,0,0,0|1,0,1]=4 6128 B15R1.30 [2H]C(OCCCCC)c1ccc(cc1)F 7a_217856618577_100000210326 [1,1,0,0,0,0|1,0,1]=4 6129 B15R1.31 C#CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100010269958 [1,1,0,0,0,0|0,0,2]=4 6130 B15R1.31 C#CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100010269958 [1,1,0,0,0,0|0,0,2]=4 6131 B15R1.31 C#CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100010269958 [1,1,0,0,0,0|0,0,2]=4 6132 B15R1.31 C#CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100010269958 [1,1,0,0,0,0|0,0,2]=4 6133 B15R1.31 C#CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100010269958 [1,1,0,0,0,0|0,0,2]=4 6134 B15R1.31 C#CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100010269958 [1,1,0,0,0,0|0,0,2]=4 6135 B15R1.31 C=CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215482 [1,1,0,0,0,0|0,0,2]=4 6136 B15R1.31 C=CCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215482 [1,1,0,0,0,0|0,0,2]=4 6137 B15R1.31 C=CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215482 [1,1,0,0,0,0|0,0,2]=4 6138 B15R1.31 C=CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215482 [1,1,0,0,0,0|0,0,2]=4 6139 B15R1.31 C=CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215482 [1,1,0,0,0,0|0,0,2]=4 6140 B15R1.31 C=CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215482 [1,1,0,0,0,0|0,0,2]=4 6141 B15R1.31 CC/C=C\CCC(=O)c1cccc(c1)Br 1458a_100000210664_100015370543 [1,1,0,0,0,0|0,0,2]=4 6142 B15R1.31 CC/C=C\CCC(=O)c1cccc(c1)C 1458a_100000189346_100015370543 [1,1,0,0,0,0|0,0,2]=4 6143 B15R1.31 CC/C=C\CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100015370543 [1,1,0,0,0,0|0,0,2]=4 6144 B15R1.31 CC/C=C\CCC(=O)c1cccc(c1)F 1458a_100000210950_100015370543 [1,1,0,0,0,0|0,0,2]=4 6145 B15R1.31 CC/C=C\CCC(=O)c1cccc(c1)I 1458a_100000184098_100015370543 [1,1,0,0,0,0|0,0,2]=4 6146 B15R1.31 CC/C=C\CCC(=O)c1cccc(c1)O 1458a_100000183914_100015370543 [1,1,0,0,0,0|0,0,2]=4 6147 B15R1.31 CCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210757 [1,1,0,0,0,0|0,0,0]=2 6148 B15R1.31 CCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210757 [1,1,0,0,0,0|0,0,0]=2 6149 B15R1.31 CCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210757 [1,1,0,0,0,0|0,0,0]=2 6150 B15R1.31 CCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210757 [1,1,0,0,0,0|0,0,0]=2 6151 B15R1.31 CCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210757 [1,1,0,0,0,0|0,0,0]=2 6152 B15R1.31 CCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210757 [1,1,0,0,0,0|0,0,0]=2 6153 B15R1.31 CCCCCCN(C)c1cccc(c1)Br 2230a_100000219648_100000210314 [1,1,0,0,0,0|2,0,0]=4 6154 B15R1.31 CCCCCCN(C)c1cccc(c1)Br 269982a_100000219648_100000210757 [1,1,0,0,0,0|2,0,0]=4 6155 B15R1.31 CCCCCCN(C)c1cccc(c1)Br 34a_100000219648_100000210314 [1,1,0,0,0,0|2,0,0]=4 6156 B15R1.31 CCCCCCN(C)c1cccc(c1)C 2230a_100000219674_100000210314 [1,1,0,0,0,0|2,0,0]=4 6157 B15R1.31 CCCCCCN(C)c1cccc(c1)C 269982a_100000219674_100000210757 [1,1,0,0,0,0|2,0,0]=4 6158 B15R1.31 CCCCCCN(C)c1cccc(c1)C 34a_100000219674_100000210314 [1,1,0,0,0,0|2,0,0]=4 6159 B15R1.31 CCCCCCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210314 [1,1,0,0,0,0|2,0,0]=4 6160 B15R1.31 CCCCCCN(C)c1cccc(c1)Cl 269982a_100000220044_100000210757 [1,1,0,0,0,0|2,0,0]=4 6161 B15R1.31 CCCCCCN(C)c1cccc(c1)Cl 34a_100000220044_100000210314 [1,1,0,0,0,0|2,0,0]=4 6162 B15R1.31 CCCCCCN(C)c1cccc(c1)F 2230a_100020633736_100000210314 [1,1,0,0,0,0|2,0,0]=4 6163 B15R1.31 CCCCCCN(C)c1cccc(c1)F 269982a_100020633736_100000210757 [1,1,0,0,0,0|2,0,0]=4 6164 B15R1.31 CCCCCCN(C)c1cccc(c1)F 34a_100020633736_100000210314 [1,1,0,0,0,0|2,0,0]=4 6165 B15R1.31 CCCCCCN(C)c1cccc(c1)I 2230a_100000221217_100000210314 [1,1,0,0,0,0|2,0,0]=4 6166 B15R1.31 CCCCCCN(C)c1cccc(c1)I 269982a_100000221217_100000210757 [1,1,0,0,0,0|2,0,0]=4 6167 B15R1.31 CCCCCCN(C)c1cccc(c1)I 34a_100000221217_100000210314 [1,1,0,0,0,0|2,0,0]=4 6168 B15R1.31 CCCCCCN(C)c1cccc(c1)O 2230a_100000756613_100000210314 [1,1,0,0,0,0|2,0,0]=4 6169 B15R1.31 CCCCCCN(C)c1cccc(c1)O 269982a_100000756613_100000210757 [1,1,0,0,0,0|2,0,0]=4 6170 B15R1.31 CCCCCCN(C)c1cccc(c1)O 34a_100000756613_100000210314 [1,1,0,0,0,0|2,0,0]=4 6171 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 11a_100000209983_100000210664 [1,1,0,0,0,0|1,0,0]=3 6172 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 1626a_100000209983_100000210664 [1,1,0,0,0,0|1,0,0]=3 6173 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 240690a_100000209983_100000210664 [1,1,0,0,0,0|1,0,0]=3 6174 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 527a_100000209983_100000210664 [1,1,0,0,0,0|1,0,0]=3 6175 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 11a_100000209983_100000189346 [1,1,0,0,0,0|1,0,0]=3 6176 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 1626a_100000209983_100000189346 [1,1,0,0,0,0|1,0,0]=3 6177 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 240690a_100000209983_100000189346 [1,1,0,0,0,0|1,0,0]=3 6178 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 527a_100000209983_100000189346 [1,1,0,0,0,0|1,0,0]=3 6179 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 11a_100000209983_100000210390 [1,1,0,0,0,0|1,0,0]=3 6180 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 1626a_100000209983_100000210390 [1,1,0,0,0,0|1,0,0]=3 6181 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 240690a_100000209983_100000210390 [1,1,0,0,0,0|1,0,0]=3 6182 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 527a_100000209983_100000210390 [1,1,0,0,0,0|1,0,0]=3 6183 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 11a_100000209983_100000210950 [1,1,0,0,0,0|1,0,0]=3 6184 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 1626a_100000209983_100000210950 [1,1,0,0,0,0|1,0,0]=3 6185 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 240690a_100000209983_100000210950 [1,1,0,0,0,0|1,0,0]=3 6186 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 527a_100000209983_100000210950 [1,1,0,0,0,0|1,0,0]=3 6187 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 11a_100000209983_100000184098 [1,1,0,0,0,0|1,0,0]=3 6188 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 1626a_100000209983_100000184098 [1,1,0,0,0,0|1,0,0]=3 6189 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 240690a_100000209983_100000184098 [1,1,0,0,0,0|1,0,0]=3 6190 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 527a_100000209983_100000184098 [1,1,0,0,0,0|1,0,0]=3 6191 B15R1.31 CCCCCNC(=O)c1cccc(c1)O 240690a_100000209983_100000183914 [1,1,0,0,0,0|1,0,0]=3 6192 B15R1.31 CCCCCNC(=O)c1cccc(c1)O 527a_100000209983_100000183914 [1,1,0,0,0,0|1,0,0]=3 6193 B15R1.31 CCCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000718602 [1,1,0,0,0,0|1,0,1]=4 6194 B15R1.31 CCCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210326 [1,1,0,0,0,0|1,0,1]=4 6195 B15R1.31 CCCCCOC(C)c1cccc(c1)C 34a_100000757818_100000718602 [1,1,0,0,0,0|1,0,1]=4 6196 B15R1.31 CCCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210326 [1,1,0,0,0,0|1,0,1]=4 6197 B15R1.31 CCCCCOC(C)c1cccc(c1)F 34a_100000744526_100000718602 [1,1,0,0,0,0|1,0,1]=4 6198 B15R1.31 CCCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210326 [1,1,0,0,0,0|1,0,1]=4 6199 B15R1.31 CCCCCOC(C)c1cccc(c1)I 34a_100013085317_100000718602 [1,1,0,0,0,0|1,0,1]=4 6200 B15R1.31 CCCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210326 [1,1,0,0,0,0|1,0,1]=4 6201 B15R1.31 CCCCCOC(C)c1cccc(c1)N 34a_100011217120_100000718602 [1,1,0,0,0,0|1,0,1]=4 6202 B15R1.31 CCCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210326 [1,1,0,0,0,0|1,0,1]=4 6203 B15R1.31 CCCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000718602 [1,1,0,0,0,0|1,0,1]=4 6204 B15R1.31 CCCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210326 [1,1,0,0,0,0|1,0,1]=4 6205 B15R1.31 CCCCNCC(=O)c1cccc(c1)Br 2230a_100000102301_100000212080 [1,1,0,0,0,0|1,0,0]=3 6206 B15R1.31 CCCCNCC(=O)c1cccc(c1)Br 7a_106832991798_100000212080 [1,1,0,0,0,0|1,0,0]=3 6207 B15R1.31 CCCCNCC(=O)c1cccc(c1)C 2230a_100000102301_100000739480 [1,1,0,0,0,0|1,0,0]=3 6208 B15R1.31 CCCCNCC(=O)c1cccc(c1)C 7a_106832991798_100000739480 [1,1,0,0,0,0|1,0,0]=3 6209 B15R1.31 CCCCNCC(=O)c1cccc(c1)Cl 2230a_100000102301_100000211444 [1,1,0,0,0,0|1,0,0]=3 6210 B15R1.31 CCCCNCC(=O)c1cccc(c1)Cl 7a_106832991798_100000211444 [1,1,0,0,0,0|1,0,0]=3 6211 B15R1.31 CCCCNCC(=O)c1cccc(c1)F 2230a_100000102301_100000215616 [1,1,0,0,0,0|1,0,0]=3 6212 B15R1.31 CCCCNCC(=O)c1cccc(c1)O 7a_106832991798_100009813753 [1,1,0,0,0,0|1,0,0]=3 6213 B15R1.31 CCCCNNC(=O)c1cccc(c1)Br 22a_100025702795_100000210664 [1,1,0,0,0,0|2,0,0]=4 6214 B15R1.31 CCCCNNC(=O)c1cccc(c1)C 22a_100025702795_100000189346 [1,1,0,0,0,0|2,0,0]=4 6215 B15R1.31 CCCCNNC(=O)c1cccc(c1)Cl 22a_100025702795_100000210390 [1,1,0,0,0,0|2,0,0]=4 6216 B15R1.31 CCCCNNC(=O)c1cccc(c1)F 22a_100025702795_100000210950 [1,1,0,0,0,0|2,0,0]=4 6217 B15R1.31 CCCCNNC(=O)c1cccc(c1)I 22a_100025702795_100000184098 [1,1,0,0,0,0|2,0,0]=4 6218 B15R1.31 CCCCNNC(=O)c1cccc(c1)O 22a_100025702795_100000183914 [1,1,0,0,0,0|2,0,0]=4 6219 B15R1.31 CCCCOCC(=O)c1cccc(c1)Br 1458a_100000210664_100011995733 [1,1,0,0,0,0|1,0,0]=3 6220 B15R1.31 CCCCOCC(=O)c1cccc(c1)Br 34a_100000210227_100000212080 [1,1,0,0,0,0|1,0,0]=3 6221 B15R1.31 CCCCOCC(=O)c1cccc(c1)Br 7a_100000210227_100000212080 [1,1,0,0,0,0|1,0,0]=3 6222 B15R1.31 CCCCOCC(=O)c1cccc(c1)C 1458a_100000189346_100011995733 [1,1,0,0,0,0|1,0,0]=3 6223 B15R1.31 CCCCOCC(=O)c1cccc(c1)C 34a_100000210227_100000739480 [1,1,0,0,0,0|1,0,0]=3 6224 B15R1.31 CCCCOCC(=O)c1cccc(c1)C 7a_100000210227_100000739480 [1,1,0,0,0,0|1,0,0]=3 6225 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011995733 [1,1,0,0,0,0|1,0,0]=3 6226 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 34a_100000210227_100000211444 [1,1,0,0,0,0|1,0,0]=3 6227 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 7a_100000210227_100000211444 [1,1,0,0,0,0|1,0,0]=3 6228 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210211 [1,1,0,0,0,0|1,0,0]=3 6229 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 1458a_100000210950_100011995733 [1,1,0,0,0,0|1,0,0]=3 6230 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 34a_100000210227_100000215616 [1,1,0,0,0,0|1,0,0]=3 6231 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210210 [1,1,0,0,0,0|1,0,0]=3 6232 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210211 [1,1,0,0,0,0|1,0,0]=3 6233 B15R1.31 CCCCOCC(=O)c1cccc(c1)I 1458a_100000184098_100011995733 [1,1,0,0,0,0|1,0,0]=3 6234 B15R1.31 CCCCOCC(=O)c1cccc(c1)O 1458a_100000183914_100011995733 [1,1,0,0,0,0|1,0,0]=3 6235 B15R1.31 CCCCOCC(=O)c1cccc(c1)O 34a_100000210227_100009813753 [1,1,0,0,0,0|1,0,0]=3 6236 B15R1.31 CCCCOCC(=O)c1cccc(c1)O 7a_100000210227_100009813753 [1,1,0,0,0,0|1,0,0]=3 6237 B15R1.31 CCCCSCC(=O)c1cccc(c1)Br 62a_100000210211_100000212080 [1,1,0,0,0,0|1,0,0]=3 6238 B15R1.31 CCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210210 [1,1,0,0,0,0|1,0,0]=3 6239 B15R1.31 CCCCSCC(=O)c1cccc(c1)C 62a_100000210211_100000739480 [1,1,0,0,0,0|1,0,0]=3 6240 B15R1.31 CCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210210 [1,1,0,0,0,0|1,0,0]=3 6241 B15R1.31 CCCCSCC(=O)c1cccc(c1)Cl 62a_100000210211_100000211444 [1,1,0,0,0,0|1,0,0]=3 6242 B15R1.31 CCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210210 [1,1,0,0,0,0|1,0,0]=3 6243 B15R1.31 CCCCSCC(=O)c1cccc(c1)F 62a_100000210211_100000215616 [1,1,0,0,0,0|1,0,0]=3 6244 B15R1.31 CCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210210 [1,1,0,0,0,0|1,0,0]=3 6245 B15R1.31 CCCCSCC(=O)c1cccc(c1)O 62a_100000210211_100009813753 [1,1,0,0,0,0|1,0,0]=3 6246 B15R1.31 CCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210210 [1,1,0,0,0,0|1,0,0]=3 6247 B15R1.31 CCCCSCC(=O)c1ccnc(c1)Cl 62a_100000210211_100009817076 [1,1,0,0,0,0|2,0,0]=4 6248 B15R1.31 CCCCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210210 [1,1,0,0,0,0|2,0,0]=4 6249 B15R1.31 CCCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215938 [1,1,0,0,0,0|1,0,0]=3 6250 B15R1.31 CCCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215938 [1,1,0,0,0,0|1,0,0]=3 6251 B15R1.31 CCCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215938 [1,1,0,0,0,0|1,0,0]=3 6252 B15R1.31 CCCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215938 [1,1,0,0,0,0|1,0,0]=3 6253 B15R1.31 CCCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215938 [1,1,0,0,0,0|1,0,0]=3 6254 B15R1.31 CCCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215938 [1,1,0,0,0,0|1,0,0]=3 6255 B15R1.31 CCOCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100012232248 [1,1,0,0,0,0|1,0,0]=3 6256 B15R1.31 CCOCCCC(=O)c1cccc(c1)C 1458a_100000189346_100012232248 [1,1,0,0,0,0|1,0,0]=3 6257 B15R1.31 CCOCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012232248 [1,1,0,0,0,0|1,0,0]=3 6258 B15R1.31 CCOCCCC(=O)c1cccc(c1)F 1458a_100000210950_100012232248 [1,1,0,0,0,0|1,0,0]=3 6259 B15R1.31 CCOCCCC(=O)c1cccc(c1)I 1458a_100000184098_100012232248 [1,1,0,0,0,0|1,0,0]=3 6260 B15R1.31 CCOCCCC(=O)c1cccc(c1)O 1458a_100000183914_100012232248 [1,1,0,0,0,0|1,0,0]=3 6261 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 11a_100011200944_100000210664 [1,1,0,0,0,0|2,0,0]=4 6262 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 1626a_102516460346_100000210664 [1,1,0,0,0,0|2,0,0]=4 6263 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 240690a_100011200944_100000210664 [1,1,0,0,0,0|2,0,0]=4 6264 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000210202 [1,1,0,0,0,0|2,0,0]=4 6265 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 527a_100011200944_100000210664 [1,1,0,0,0,0|2,0,0]=4 6266 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000210202 [1,1,0,0,0,0|2,0,0]=4 6267 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 11a_100011200944_100000189346 [1,1,0,0,0,0|2,0,0]=4 6268 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 1626a_102516460346_100000189346 [1,1,0,0,0,0|2,0,0]=4 6269 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 240690a_100011200944_100000189346 [1,1,0,0,0,0|2,0,0]=4 6270 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 527a_100011200944_100000189346 [1,1,0,0,0,0|2,0,0]=4 6271 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 11a_100011200944_100000210390 [1,1,0,0,0,0|2,0,0]=4 6272 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 1626a_102516460346_100000210390 [1,1,0,0,0,0|2,0,0]=4 6273 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 240690a_100011200944_100000210390 [1,1,0,0,0,0|2,0,0]=4 6274 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 527a_100011200944_100000210390 [1,1,0,0,0,0|2,0,0]=4 6275 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 11a_100011200944_100000210950 [1,1,0,0,0,0|2,0,0]=4 6276 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 1626a_102516460346_100000210950 [1,1,0,0,0,0|2,0,0]=4 6277 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 240690a_100011200944_100000210950 [1,1,0,0,0,0|2,0,0]=4 6278 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 527a_100011200944_100000210950 [1,1,0,0,0,0|2,0,0]=4 6279 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 11a_100011200944_100000184098 [1,1,0,0,0,0|2,0,0]=4 6280 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 1626a_102516460346_100000184098 [1,1,0,0,0,0|2,0,0]=4 6281 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 240690a_100011200944_100000184098 [1,1,0,0,0,0|2,0,0]=4 6282 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 527a_100011200944_100000184098 [1,1,0,0,0,0|2,0,0]=4 6283 B15R1.31 CCOCCNC(=O)c1cccc(c1)O 240690a_100011200944_100000183914 [1,1,0,0,0,0|2,0,0]=4 6284 B15R1.31 CCOCCNC(=O)c1cccc(c1)O 527a_100011200944_100000183914 [1,1,0,0,0,0|2,0,0]=4 6285 B15R1.31 CCOCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000739092 [1,1,0,0,0,0|2,0,0]=4 6286 B15R1.31 CCOCSCC(=O)c1cccc(c1)Br 62a_100000739092_100000212080 [1,1,0,0,0,0|2,0,0]=4 6287 B15R1.31 CCOCSCC(=O)c1cccc(c1)C 62a_100000739092_100000739480 [1,1,0,0,0,0|2,0,0]=4 6288 B15R1.31 CCOCSCC(=O)c1cccc(c1)C 62a_100000739480_100000739092 [1,1,0,0,0,0|2,0,0]=4 6289 B15R1.31 CCOCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000739092 [1,1,0,0,0,0|2,0,0]=4 6290 B15R1.31 CCOCSCC(=O)c1cccc(c1)Cl 62a_100000739092_100000211444 [1,1,0,0,0,0|2,0,0]=4 6291 B15R1.31 CCOCSCC(=O)c1cccc(c1)F 62a_100000215616_100000739092 [1,1,0,0,0,0|2,0,0]=4 6292 B15R1.31 CCOCSCC(=O)c1cccc(c1)F 62a_100000739092_100000215616 [1,1,0,0,0,0|2,0,0]=4 6293 B15R1.31 CCOCSCC(=O)c1cccc(c1)O 62a_100000739092_100009813753 [1,1,0,0,0,0|2,0,0]=4 6294 B15R1.31 CCOCSCC(=O)c1cccc(c1)O 62a_100009813753_100000739092 [1,1,0,0,0,0|2,0,0]=4 6295 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 11a_100000106463_100000210664 [1,1,0,0,0,0|2,0,0]=4 6296 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 1626a_100000106463_100000210664 [1,1,0,0,0,0|2,0,0]=4 6297 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 240690a_100000106463_100000210664 [1,1,0,0,0,0|2,0,0]=4 6298 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 527a_100000106463_100000210664 [1,1,0,0,0,0|2,0,0]=4 6299 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 11a_100000106463_100000189346 [1,1,0,0,0,0|2,0,0]=4 6300 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 1626a_100000106463_100000189346 [1,1,0,0,0,0|2,0,0]=4 6301 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 240690a_100000106463_100000189346 [1,1,0,0,0,0|2,0,0]=4 6302 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 527a_100000106463_100000189346 [1,1,0,0,0,0|2,0,0]=4 6303 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 11a_100000106463_100000210390 [1,1,0,0,0,0|2,0,0]=4 6304 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 1626a_100000106463_100000210390 [1,1,0,0,0,0|2,0,0]=4 6305 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 240690a_100000106463_100000210390 [1,1,0,0,0,0|2,0,0]=4 6306 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 527a_100000106463_100000210390 [1,1,0,0,0,0|2,0,0]=4 6307 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 11a_100000106463_100000210950 [1,1,0,0,0,0|2,0,0]=4 6308 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 1626a_100000106463_100000210950 [1,1,0,0,0,0|2,0,0]=4 6309 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 240690a_100000106463_100000210950 [1,1,0,0,0,0|2,0,0]=4 6310 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 527a_100000106463_100000210950 [1,1,0,0,0,0|2,0,0]=4 6311 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 11a_100000106463_100000184098 [1,1,0,0,0,0|2,0,0]=4 6312 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 1626a_100000106463_100000184098 [1,1,0,0,0,0|2,0,0]=4 6313 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 240690a_100000106463_100000184098 [1,1,0,0,0,0|2,0,0]=4 6314 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 527a_100000106463_100000184098 [1,1,0,0,0,0|2,0,0]=4 6315 B15R1.31 CCSCCNC(=O)c1cccc(c1)O 240690a_100000106463_100000183914 [1,1,0,0,0,0|2,0,0]=4 6316 B15R1.31 CCSCCNC(=O)c1cccc(c1)O 527a_100000106463_100000183914 [1,1,0,0,0,0|2,0,0]=4 6317 B15R1.31 CNCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_200000210301 [1,1,0,0,0,0|2,0,0]=4 6318 B15R1.31 COCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000755781 [1,1,0,0,0,0|1,0,0]=3 6319 B15R1.31 COCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000755781 [1,1,0,0,0,0|1,0,0]=3 6320 B15R1.31 COCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000755781 [1,1,0,0,0,0|1,0,0]=3 6321 B15R1.31 COCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000755781 [1,1,0,0,0,0|1,0,0]=3 6322 B15R1.31 COCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000755781 [1,1,0,0,0,0|1,0,0]=3 6323 B15R1.31 COCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000755781 [1,1,0,0,0,0|1,0,0]=3 6324 B15R1.31 COCCCNC(=O)c1cccc(c1)Br 1626a_100150723488_100000210664 [1,1,0,0,0,0|2,0,0]=4 6325 B15R1.31 COCCCNC(=O)c1cccc(c1)Br 240690a_100150723488_100000210664 [1,1,0,0,0,0|2,0,0]=4 6326 B15R1.31 COCCCNC(=O)c1cccc(c1)Br 527a_100150723488_100000210664 [1,1,0,0,0,0|2,0,0]=4 6327 B15R1.31 COCCCNC(=O)c1cccc(c1)C 1626a_100150723488_100000189346 [1,1,0,0,0,0|2,0,0]=4 6328 B15R1.31 COCCCNC(=O)c1cccc(c1)C 240690a_100150723488_100000189346 [1,1,0,0,0,0|2,0,0]=4 6329 B15R1.31 COCCCNC(=O)c1cccc(c1)C 527a_100150723488_100000189346 [1,1,0,0,0,0|2,0,0]=4 6330 B15R1.31 COCCCNC(=O)c1cccc(c1)Cl 1626a_100150723488_100000210390 [1,1,0,0,0,0|2,0,0]=4 6331 B15R1.31 COCCCNC(=O)c1cccc(c1)Cl 240690a_100150723488_100000210390 [1,1,0,0,0,0|2,0,0]=4 6332 B15R1.31 COCCCNC(=O)c1cccc(c1)Cl 527a_100150723488_100000210390 [1,1,0,0,0,0|2,0,0]=4 6333 B15R1.31 COCCCNC(=O)c1cccc(c1)F 1626a_100150723488_100000210950 [1,1,0,0,0,0|2,0,0]=4 6334 B15R1.31 COCCCNC(=O)c1cccc(c1)F 240690a_100150723488_100000210950 [1,1,0,0,0,0|2,0,0]=4 6335 B15R1.31 COCCCNC(=O)c1cccc(c1)F 527a_100150723488_100000210950 [1,1,0,0,0,0|2,0,0]=4 6336 B15R1.31 COCCCNC(=O)c1cccc(c1)I 1626a_100150723488_100000184098 [1,1,0,0,0,0|2,0,0]=4 6337 B15R1.31 COCCCNC(=O)c1cccc(c1)I 240690a_100150723488_100000184098 [1,1,0,0,0,0|2,0,0]=4 6338 B15R1.31 COCCCNC(=O)c1cccc(c1)I 527a_100150723488_100000184098 [1,1,0,0,0,0|2,0,0]=4 6339 B15R1.31 COCCCNC(=O)c1cccc(c1)O 240690a_100150723488_100000183914 [1,1,0,0,0,0|2,0,0]=4 6340 B15R1.31 COCCCNC(=O)c1cccc(c1)O 527a_100150723488_100000183914 [1,1,0,0,0,0|2,0,0]=4 6341 B15R1.31 COCCNCC(=O)c1cccc(c1)Br 2230a_100000209980_100000212080 [1,1,0,0,0,0|2,0,0]=4 6342 B15R1.31 COCCNCC(=O)c1cccc(c1)C 2230a_100000209980_100000739480 [1,1,0,0,0,0|2,0,0]=4 6343 B15R1.31 COCCNCC(=O)c1cccc(c1)Cl 2230a_100000209980_100000211444 [1,1,0,0,0,0|2,0,0]=4 6344 B15R1.31 COCCNCC(=O)c1cccc(c1)F 2230a_100000209980_100000215616 [1,1,0,0,0,0|2,0,0]=4 6345 B15R1.31 COCCOCC(=O)c1cccc(c1)Br 34a_100000210237_100000212080 [1,1,0,0,0,0|2,0,0]=4 6346 B15R1.31 COCCOCC(=O)c1cccc(c1)C 34a_100000210237_100000739480 [1,1,0,0,0,0|2,0,0]=4 6347 B15R1.31 COCCOCC(=O)c1cccc(c1)Cl 34a_100000210237_100000211444 [1,1,0,0,0,0|2,0,0]=4 6348 B15R1.31 COCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000233755 [1,1,0,0,0,0|2,0,0]=4 6349 B15R1.31 COCCOCC(=O)c1cccc(c1)F 34a_100000210237_100000215616 [1,1,0,0,0,0|2,0,0]=4 6350 B15R1.31 COCCOCC(=O)c1cccc(c1)F 34a_100011592800_100011201679 [1,1,0,0,0,0|2,0,0]=4 6351 B15R1.31 COCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000233755 [1,1,0,0,0,0|2,0,0]=4 6352 B15R1.31 COCCOCC(=O)c1cccc(c1)O 34a_100000210237_100009813753 [1,1,0,0,0,0|2,0,0]=4 6353 B15R1.31 COCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000233755 [1,1,0,0,0,0|2,0,0]=4 6354 B15R1.31 COCCSCC(=O)c1cccc(c1)Br 62a_100000233755_100000212080 [1,1,0,0,0,0|2,0,0]=4 6355 B15R1.31 COCCSCC(=O)c1cccc(c1)C 62a_100000233755_100000739480 [1,1,0,0,0,0|2,0,0]=4 6356 B15R1.31 COCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000233755 [1,1,0,0,0,0|2,0,0]=4 6357 B15R1.31 COCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000233755 [1,1,0,0,0,0|2,0,0]=4 6358 B15R1.31 COCCSCC(=O)c1cccc(c1)Cl 62a_100000233755_100000211444 [1,1,0,0,0,0|2,0,0]=4 6359 B15R1.31 COCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000233755 [1,1,0,0,0,0|2,0,0]=4 6360 B15R1.31 COCCSCC(=O)c1cccc(c1)F 62a_100000233755_100000215616 [1,1,0,0,0,0|2,0,0]=4 6361 B15R1.31 COCCSCC(=O)c1cccc(c1)O 62a_100000233755_100009813753 [1,1,0,0,0,0|2,0,0]=4 6362 B15R1.31 COCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000233755 [1,1,0,0,0,0|2,0,0]=4 6363 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 11a_100000749238_100000210664 [1,1,0,0,0,0|2,0,0]=4 6364 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 1626a_100000749238_100000210664 [1,1,0,0,0,0|2,0,0]=4 6365 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 240690a_100000749238_100000210664 [1,1,0,0,0,0|2,0,0]=4 6366 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 527a_100000749238_100000210664 [1,1,0,0,0,0|2,0,0]=4 6367 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 11a_100000749238_100000189346 [1,1,0,0,0,0|2,0,0]=4 6368 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 1626a_100000749238_100000189346 [1,1,0,0,0,0|2,0,0]=4 6369 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 240690a_100000749238_100000189346 [1,1,0,0,0,0|2,0,0]=4 6370 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 527a_100000749238_100000189346 [1,1,0,0,0,0|2,0,0]=4 6371 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 11a_100000749238_100000210390 [1,1,0,0,0,0|2,0,0]=4 6372 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 1626a_100000749238_100000210390 [1,1,0,0,0,0|2,0,0]=4 6373 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 240690a_100000749238_100000210390 [1,1,0,0,0,0|2,0,0]=4 6374 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 527a_100000749238_100000210390 [1,1,0,0,0,0|2,0,0]=4 6375 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 11a_100000749238_100000210950 [1,1,0,0,0,0|2,0,0]=4 6376 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 1626a_100000749238_100000210950 [1,1,0,0,0,0|2,0,0]=4 6377 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 240690a_100000749238_100000210950 [1,1,0,0,0,0|2,0,0]=4 6378 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 527a_100000749238_100000210950 [1,1,0,0,0,0|2,0,0]=4 6379 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 11a_100000749238_100000184098 [1,1,0,0,0,0|2,0,0]=4 6380 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 1626a_100000749238_100000184098 [1,1,0,0,0,0|2,0,0]=4 6381 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 240690a_100000749238_100000184098 [1,1,0,0,0,0|2,0,0]=4 6382 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 527a_100000749238_100000184098 [1,1,0,0,0,0|2,0,0]=4 6383 B15R1.31 CSCCCNC(=O)c1cccc(c1)O 240690a_100000749238_100000183914 [1,1,0,0,0,0|2,0,0]=4 6384 B15R1.31 CSCCCNC(=O)c1cccc(c1)O 527a_100000749238_100000183914 [1,1,0,0,0,0|2,0,0]=4 6385 B15R1.31 CSCCNCC(=O)c1cccc(c1)Br 2230a_100020590264_100000212080 [1,1,0,0,0,0|2,0,0]=4 6386 B15R1.31 CSCCNCC(=O)c1cccc(c1)C 2230a_100020590264_100000739480 [1,1,0,0,0,0|2,0,0]=4 6387 B15R1.31 CSCCNCC(=O)c1cccc(c1)Cl 2230a_100020590264_100000211444 [1,1,0,0,0,0|2,0,0]=4 6388 B15R1.31 CSCCNCC(=O)c1cccc(c1)F 2230a_100020590264_100000215616 [1,1,0,0,0,0|2,0,0]=4 6389 B15R1.31 CSCCOCC(=O)c1cccc(c1)Br 34a_100000230434_100000212080 [1,1,0,0,0,0|2,0,0]=4 6390 B15R1.31 CSCCOCC(=O)c1cccc(c1)Br 7a_100000230434_100000212080 [1,1,0,0,0,0|2,0,0]=4 6391 B15R1.31 CSCCOCC(=O)c1cccc(c1)C 34a_100000230434_100000739480 [1,1,0,0,0,0|2,0,0]=4 6392 B15R1.31 CSCCOCC(=O)c1cccc(c1)C 7a_100000230434_100000739480 [1,1,0,0,0,0|2,0,0]=4 6393 B15R1.31 CSCCOCC(=O)c1cccc(c1)Cl 34a_100000230434_100000211444 [1,1,0,0,0,0|2,0,0]=4 6394 B15R1.31 CSCCOCC(=O)c1cccc(c1)Cl 7a_100000230434_100000211444 [1,1,0,0,0,0|2,0,0]=4 6395 B15R1.31 CSCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000212216 [1,1,0,0,0,0|2,0,0]=4 6396 B15R1.31 CSCCOCC(=O)c1cccc(c1)F 34a_100000230434_100000215616 [1,1,0,0,0,0|2,0,0]=4 6397 B15R1.31 CSCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000212216 [1,1,0,0,0,0|2,0,0]=4 6398 B15R1.31 CSCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000212216 [1,1,0,0,0,0|2,0,0]=4 6399 B15R1.31 CSCCOCC(=O)c1cccc(c1)O 34a_100000230434_100009813753 [1,1,0,0,0,0|2,0,0]=4 6400 B15R1.31 CSCCOCC(=O)c1cccc(c1)O 7a_100000230434_100009813753 [1,1,0,0,0,0|2,0,0]=4 6401 B15R1.31 CSCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000751147 [1,1,0,0,0,0|2,0,0]=4 6402 B15R1.31 CSCCSCC(=O)c1cccc(c1)Br 62a_100000212216_100000212080 [1,1,0,0,0,0|2,0,0]=4 6403 B15R1.31 CSCCSCC(=O)c1cccc(c1)C 62a_100000212216_100000739480 [1,1,0,0,0,0|2,0,0]=4 6404 B15R1.31 CSCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000751147 [1,1,0,0,0,0|2,0,0]=4 6405 B15R1.31 CSCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000751147 [1,1,0,0,0,0|2,0,0]=4 6406 B15R1.31 CSCCSCC(=O)c1cccc(c1)Cl 62a_100000212216_100000211444 [1,1,0,0,0,0|2,0,0]=4 6407 B15R1.31 CSCCSCC(=O)c1cccc(c1)F 62a_100000212216_100000215616 [1,1,0,0,0,0|2,0,0]=4 6408 B15R1.31 CSCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000751147 [1,1,0,0,0,0|2,0,0]=4 6409 B15R1.31 CSCCSCC(=O)c1cccc(c1)O 62a_100000212216_100009813753 [1,1,0,0,0,0|2,0,0]=4 6410 B15R1.31 CSCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000751147 [1,1,0,0,0,0|2,0,0]=4 6411 B15R1.31 Cc1cccc(c1)C(=O)CCCCC#N 1458a_100000189346_100000211819 [1,1,0,0,0,0|1,0,1]=4 6412 B15R1.31 Cc1cccc(c1)C(=O)CCCCCF 1458a_100000189346_100000729378 [1,1,0,0,0,0|1,0,0]=3 6413 B15R1.31 Cc1cccc(c1)C(=O)CCCCCO 1458a_100000189346_100000746330 [1,1,0,0,0,0|1,0,0]=3 6414 B15R1.31 Cc1cccc(c1)C(=O)CCOCCO 1458a_100000189346_100011215305 [1,1,0,0,0,0|2,0,0]=4 6415 B15R1.31 Cc1cccc(c1)C(=O)CNCCCF 2230a_100015189416_100000739480 [1,1,0,0,0,0|2,0,0]=4 6416 B15R1.31 Cc1cccc(c1)C(=O)CNCCCF 34a_100015189416_100000739480 [1,1,0,0,0,0|2,0,0]=4 6417 B15R1.31 Cc1cccc(c1)C(=O)COCCCBr 34a_100011217188_100000739480 [1,1,0,0,0,0|2,0,0]=4 6418 B15R1.31 Cc1cccc(c1)C(=O)COCCCCl 34a_100000230001_100000739480 [1,1,0,0,0,0|2,0,0]=4 6419 B15R1.31 Cc1cccc(c1)C(=O)COCCCF 34a_100000759539_100000739480 [1,1,0,0,0,0|2,0,0]=4 6420 B15R1.31 Cc1cccc(c1)C(=O)COCCCN 34a_100000182051_100000739480 [1,1,0,0,0,0|2,0,0]=4 6421 B15R1.31 Cc1cccc(c1)C(=O)CSCCCF 62a_100000739480_100011934791 [1,1,0,0,0,0|2,0,0]=4 6422 B15R1.31 Cc1cccc(c1)C(=O)CSCCCF 62a_100011934791_100000739480 [1,1,0,0,0,0|2,0,0]=4 6423 B15R1.31 Cc1cccc(c1)C(=O)CSCCCO 62a_100000739480_100011215043 [1,1,0,0,0,0|2,0,0]=4 6424 B15R1.31 Cc1cccc(c1)C(=O)CSCCCO 62a_100011215043_100000739480 [1,1,0,0,0,0|2,0,0]=4 6425 B15R1.31 Cc1cccc(c1)C(=O)NCCCCO 240690a_100000750430_100000189346 [1,1,0,0,0,0|2,0,0]=4 6426 B15R1.31 Cc1cccc(c1)C(=O)NCCCCO 527a_100000750430_100000189346 [1,1,0,0,0,0|2,0,0]=4 6427 B15R1.31 N#CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000211819 [1,1,0,0,0,0|1,0,1]=4 6428 B15R1.31 N#CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000211819 [1,1,0,0,0,0|1,0,1]=4 6429 B15R1.31 N#CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000211819 [1,1,0,0,0,0|1,0,1]=4 6430 B15R1.31 N#CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000211819 [1,1,0,0,0,0|1,0,1]=4 6431 B15R1.31 N#CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000211819 [1,1,0,0,0,0|1,0,1]=4 6432 B15R1.31 NCCCOCC(=O)c1cccc(c1)Br 34a_100000182051_100000212080 [1,1,0,0,0,0|2,0,0]=4 6433 B15R1.31 NCCCOCC(=O)c1cccc(c1)Cl 34a_100000182051_100000211444 [1,1,0,0,0,0|2,0,0]=4 6434 B15R1.31 NCCCOCC(=O)c1cccc(c1)F 34a_100000182051_100000215616 [1,1,0,0,0,0|2,0,0]=4 6435 B15R1.31 NCCCOCC(=O)c1cccc(c1)O 34a_100000182051_100009813753 [1,1,0,0,0,0|2,0,0]=4 6436 B15R1.31 O=C(CCCCCF)c1cccc(c1)Br 1458a_100000210664_100000729378 [1,1,0,0,0,0|1,0,0]=3 6437 B15R1.31 O=C(CCCCCF)c1cccc(c1)Cl 1458a_100000210390_100000729378 [1,1,0,0,0,0|1,0,0]=3 6438 B15R1.31 O=C(CCCCCF)c1cccc(c1)F 1458a_100000210950_100000729378 [1,1,0,0,0,0|1,0,0]=3 6439 B15R1.31 O=C(CCCCCF)c1cccc(c1)I 1458a_100000184098_100000729378 [1,1,0,0,0,0|1,0,0]=3 6440 B15R1.31 O=C(CCCCCF)c1cccc(c1)O 1458a_100000183914_100000729378 [1,1,0,0,0,0|1,0,0]=3 6441 B15R1.31 O=C(CCCCCO)c1cccc(c1)Br 1458a_100000210664_100000746330 [1,1,0,0,0,0|1,0,0]=3 6442 B15R1.31 O=C(CCCCCO)c1cccc(c1)Cl 1458a_100000210390_100000746330 [1,1,0,0,0,0|1,0,0]=3 6443 B15R1.31 O=C(CCCCCO)c1cccc(c1)F 1458a_100000210950_100000746330 [1,1,0,0,0,0|1,0,0]=3 6444 B15R1.31 O=C(CCCCCO)c1cccc(c1)I 1458a_100000184098_100000746330 [1,1,0,0,0,0|1,0,0]=3 6445 B15R1.31 O=C(CCCCCO)c1cccc(c1)O 1458a_100000183914_100000746330 [1,1,0,0,0,0|1,0,0]=3 6446 B15R1.31 O=C(CCOCCO)c1cccc(c1)Br 1458a_100000210664_100011215305 [1,1,0,0,0,0|2,0,0]=4 6447 B15R1.31 O=C(CCOCCO)c1cccc(c1)Cl 1458a_100000210390_100011215305 [1,1,0,0,0,0|2,0,0]=4 6448 B15R1.31 O=C(CCOCCO)c1cccc(c1)F 1458a_100000210950_100011215305 [1,1,0,0,0,0|2,0,0]=4 6449 B15R1.31 O=C(CCOCCO)c1cccc(c1)I 1458a_100000184098_100011215305 [1,1,0,0,0,0|2,0,0]=4 6450 B15R1.31 O=C(CCOCCO)c1cccc(c1)O 1458a_100000183914_100011215305 [1,1,0,0,0,0|2,0,0]=4 6451 B15R1.31 O=C(CNCCCF)c1cccc(c1)Br 2230a_100015189416_100000212080 [1,1,0,0,0,0|2,0,0]=4 6452 B15R1.31 O=C(CNCCCF)c1cccc(c1)Br 34a_100015189416_100000212080 [1,1,0,0,0,0|2,0,0]=4 6453 B15R1.31 O=C(CNCCCF)c1cccc(c1)Cl 2230a_100015189416_100000211444 [1,1,0,0,0,0|2,0,0]=4 6454 B15R1.31 O=C(CNCCCF)c1cccc(c1)Cl 34a_100015189416_100000211444 [1,1,0,0,0,0|2,0,0]=4 6455 B15R1.31 O=C(CNCCCF)c1cccc(c1)F 2230a_100015189416_100000215616 [1,1,0,0,0,0|2,0,0]=4 6456 B15R1.31 O=C(CNCCCF)c1cccc(c1)F 34a_100015189416_100000215616 [1,1,0,0,0,0|2,0,0]=4 6457 B15R1.31 O=C(CNCCCF)c1cccc(c1)O 34a_100015189416_100009813753 [1,1,0,0,0,0|2,0,0]=4 6458 B15R1.31 O=C(COCCCBr)c1cccc(c1)Br 34a_100011217188_100000212080 [1,1,0,0,0,0|2,0,0]=4 6459 B15R1.31 O=C(COCCCBr)c1cccc(c1)Cl 34a_100011217188_100000211444 [1,1,0,0,0,0|2,0,0]=4 6460 B15R1.31 O=C(COCCCBr)c1cccc(c1)F 34a_100011217188_100000215616 [1,1,0,0,0,0|2,0,0]=4 6461 B15R1.31 O=C(COCCCBr)c1cccc(c1)O 34a_100011217188_100009813753 [1,1,0,0,0,0|2,0,0]=4 6462 B15R1.31 O=C(COCCCCl)c1cccc(c1)Br 34a_100000230001_100000212080 [1,1,0,0,0,0|2,0,0]=4 6463 B15R1.31 O=C(COCCCCl)c1cccc(c1)Cl 34a_100000230001_100000211444 [1,1,0,0,0,0|2,0,0]=4 6464 B15R1.31 O=C(COCCCCl)c1cccc(c1)F 34a_100000230001_100000215616 [1,1,0,0,0,0|2,0,0]=4 6465 B15R1.31 O=C(COCCCCl)c1cccc(c1)O 34a_100000230001_100009813753 [1,1,0,0,0,0|2,0,0]=4 6466 B15R1.31 O=C(COCCCF)c1cccc(c1)Br 34a_100000759539_100000212080 [1,1,0,0,0,0|2,0,0]=4 6467 B15R1.31 O=C(COCCCF)c1cccc(c1)Cl 34a_100000759539_100000211444 [1,1,0,0,0,0|2,0,0]=4 6468 B15R1.31 O=C(COCCCF)c1cccc(c1)Cl 7a_200011592804_100011934791 [1,1,0,0,0,0|2,0,0]=4 6469 B15R1.31 O=C(COCCCF)c1cccc(c1)F 34a_100000759539_100000215616 [1,1,0,0,0,0|2,0,0]=4 6470 B15R1.31 O=C(COCCCF)c1cccc(c1)F 34a_100011592800_100011934791 [1,1,0,0,0,0|2,0,0]=4 6471 B15R1.31 O=C(COCCCF)c1cccc(c1)F 7a_100011592800_100011934791 [1,1,0,0,0,0|2,0,0]=4 6472 B15R1.31 O=C(COCCCF)c1cccc(c1)O 34a_100000759539_100009813753 [1,1,0,0,0,0|2,0,0]=4 6473 B15R1.31 O=C(COCCCO)c1cccc(c1)Cl 7a_200011592804_100011215043 [1,1,0,0,0,0|2,0,0]=4 6474 B15R1.31 O=C(COCCCO)c1cccc(c1)F 34a_100011592800_100000230001 [1,1,0,0,0,0|2,0,0]=4 6475 B15R1.31 O=C(COCCCO)c1cccc(c1)F 7a_100011592800_100011215043 [1,1,0,0,0,0|2,0,0]=4 6476 B15R1.31 O=C(CSCCCF)c1cccc(c1)Br 62a_100000212080_100011934791 [1,1,0,0,0,0|2,0,0]=4 6477 B15R1.31 O=C(CSCCCF)c1cccc(c1)Br 62a_100011934791_100000212080 [1,1,0,0,0,0|2,0,0]=4 6478 B15R1.31 O=C(CSCCCF)c1cccc(c1)Cl 62a_100000211444_100011934791 [1,1,0,0,0,0|2,0,0]=4 6479 B15R1.31 O=C(CSCCCF)c1cccc(c1)Cl 62a_100011934791_100000211444 [1,1,0,0,0,0|2,0,0]=4 6480 B15R1.31 O=C(CSCCCF)c1cccc(c1)F 62a_100000215616_100011934791 [1,1,0,0,0,0|2,0,0]=4 6481 B15R1.31 O=C(CSCCCF)c1cccc(c1)F 62a_100011934791_100000215616 [1,1,0,0,0,0|2,0,0]=4 6482 B15R1.31 O=C(CSCCCF)c1cccc(c1)O 62a_100009813753_100011934791 [1,1,0,0,0,0|2,0,0]=4 6483 B15R1.31 O=C(CSCCCF)c1cccc(c1)O 62a_100011934791_100009813753 [1,1,0,0,0,0|2,0,0]=4 6484 B15R1.31 O=C(CSCCCO)c1cccc(c1)Br 62a_100000212080_100011215043 [1,1,0,0,0,0|2,0,0]=4 6485 B15R1.31 O=C(CSCCCO)c1cccc(c1)Br 62a_100011215043_100000212080 [1,1,0,0,0,0|2,0,0]=4 6486 B15R1.31 O=C(CSCCCO)c1cccc(c1)Cl 62a_100000211444_100011215043 [1,1,0,0,0,0|2,0,0]=4 6487 B15R1.31 O=C(CSCCCO)c1cccc(c1)Cl 62a_100011215043_100000211444 [1,1,0,0,0,0|2,0,0]=4 6488 B15R1.31 O=C(CSCCCO)c1cccc(c1)F 62a_100000215616_100011215043 [1,1,0,0,0,0|2,0,0]=4 6489 B15R1.31 O=C(CSCCCO)c1cccc(c1)F 62a_100011215043_100000215616 [1,1,0,0,0,0|2,0,0]=4 6490 B15R1.31 O=C(CSCCCO)c1cccc(c1)O 62a_100009813753_100011215043 [1,1,0,0,0,0|2,0,0]=4 6491 B15R1.31 O=C(CSCCCO)c1cccc(c1)O 62a_100011215043_100009813753 [1,1,0,0,0,0|2,0,0]=4 6492 B15R1.31 O=C(NCCCCO)c1cccc(c1)Br 240690a_100000750430_100000210664 [1,1,0,0,0,0|2,0,0]=4 6493 B15R1.31 O=C(NCCCCO)c1cccc(c1)Br 527a_100000750430_100000210664 [1,1,0,0,0,0|2,0,0]=4 6494 B15R1.31 O=C(NCCCCO)c1cccc(c1)Cl 240690a_100000750430_100000210390 [1,1,0,0,0,0|2,0,0]=4 6495 B15R1.31 O=C(NCCCCO)c1cccc(c1)Cl 527a_100000750430_100000210390 [1,1,0,0,0,0|2,0,0]=4 6496 B15R1.31 O=C(NCCCCO)c1cccc(c1)F 240690a_100000750430_100000210950 [1,1,0,0,0,0|2,0,0]=4 6497 B15R1.31 O=C(NCCCCO)c1cccc(c1)F 527a_100000750430_100000210950 [1,1,0,0,0,0|2,0,0]=4 6498 B15R1.31 O=C(NCCCCO)c1cccc(c1)I 240690a_100000750430_100000184098 [1,1,0,0,0,0|2,0,0]=4 6499 B15R1.31 O=C(NCCCCO)c1cccc(c1)I 527a_100000750430_100000184098 [1,1,0,0,0,0|2,0,0]=4 6500 B15R1.31 O=C(NCCCCO)c1cccc(c1)O 240690a_100000750430_100000183914 [1,1,0,0,0,0|2,0,0]=4 6501 B15R1.31 O=C(NCCCCO)c1cccc(c1)O 527a_100000750430_100000183914 [1,1,0,0,0,0|2,0,0]=4 6502 B15R1.31 [13CH3]NCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_200025704644 [1,1,0,0,0,0|2,0,0]=4 6503 B15R1.33 C#CC(OCCCCC)c1ccccc1 34a_100011219616_100000718602 [1,1,0,0,0,0|1,0,1]=4 6504 B15R1.33 C#CC(OCCCCC)c1ccccc1 7a_100011219616_100000210326 [1,1,0,0,0,0|1,0,1]=4 6505 B15R1.33 C=CC(OCCCCC)c1ccccc1 34a_100011215659_100000718602 [1,1,0,0,0,0|1,0,1]=4 6506 B15R1.33 C=CC(OCCCCC)c1ccccc1 7a_100011215659_100000210326 [1,1,0,0,0,0|1,0,1]=4 6507 B15R1.33 CCCCCCC(NC)c1ccccc1 269862a_106832991636_100011192799 [1,1,0,0,0,0|1,0,1]=4 6508 B15R1.33 CCCCCCN(CC)c1ccccc1 2230a_100000210013_100000210314 [1,1,0,0,0,0|2,0,0]=4 6509 B15R1.33 CCCCCCN(CC)c1ccccc1 2230a_200000219565_100000210202 [1,1,0,0,0,0|2,0,0]=4 6510 B15R1.33 CCCCCCN(CC)c1ccccc1 269982a_100000210013_100000210757 [1,1,0,0,0,0|2,0,0]=4 6511 B15R1.33 CCCCCCN(CC)c1ccccc1 269982a_200000219565_100000204670 [1,1,0,0,0,0|2,0,0]=4 6512 B15R1.33 CCCCCCN(CC)c1ccccc1 34a_100000210013_100000210314 [1,1,0,0,0,0|2,0,0]=4 6513 B15R1.33 CCCCCCN(CC)c1ccccc1 34a_200000219565_100000210202 [1,1,0,0,0,0|2,0,0]=4 6514 B15R1.33 CCCCCCN(CC)c1ccccc1 7a_200000219565_100000210202 [1,1,0,0,0,0|2,0,0]=4 6515 B15R1.33 CCCCCCN(CF)c1ccccc1 269982a_200000219565_100015361967 [1,1,0,0,0,0|2,0,0]=4 6516 B15R1.33 CCCCCCN(CF)c1ccccc1 34a_200000219565_100015361967 [1,1,0,0,0,0|2,0,0]=4 6517 B15R1.33 CCCCCCN(CF)c1ccccc1 7a_200000219565_100015361967 [1,1,0,0,0,0|2,0,0]=4 6518 B15R1.33 CCCCCOC(C#N)c1ccccc1 7a_100011217353_100000210326 [1,1,0,0,0,0|1,0,1]=4 6519 B15R1.33 CCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210326 [1,1,0,0,0,0|1,0,1]=4 6520 B15R1.33 CCCCCOC(CC)c1ccccc1 34a_100000698172_100000718602 [1,1,0,0,0,0|1,0,1]=4 6521 B15R1.33 CCCCCOC(CC)c1ccccc1 7a_100000698172_100000210326 [1,1,0,0,0,0|1,0,1]=4 6522 B15R1.33 CCCCCOC(CN)c1ccccc1 34a_100000210709_100000718602 [1,1,0,0,0,0|1,0,1]=4 6523 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000718602 [1,1,0,0,0,0|1,0,1]=4 6524 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210326 [1,1,0,0,0,0|1,0,1]=4 6525 B15R1.89 CC(CCC(=O)c1ccccc1)OCF 7a_200012571355_100015361967 [1,1,0,0,0,0|2,0,0]=4 6526 B15R1.89 CC(CCO)SCC(=O)c1ccccc1 62a_100000211460_100009893172 [1,1,0,0,0,0|2,0,0]=4 6527 B15R1.89 CC(CCO)SCC(=O)c1ccccc1 62a_100009893172_100000211460 [1,1,0,0,0,0|2,0,0]=4 6528 B15R1.89 CCCC(=O)CCC(=O)c1ccccc1 1458a_100000211992_100000750707 [1,1,0,0,0,0|0,0,1]=3 6529 B15R1.89 CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210303 [1,1,0,0,0,0|1,0,1]=4 6530 B15R1.89 CCCC(=O)COC(=O)c1ccccc1 1458a_100000211992_100000073877 [1,1,0,0,0,0|0,0,1]=3 6531 B15R1.89 CCCC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100000034017 [1,1,0,0,0,0|1,0,1]=4 6532 B15R1.89 CCCC(C)COC(C)c1ccccc1 34a_100000688023_100000211855 [1,1,0,0,0,0|1,0,1]=4 6533 B15R1.89 CCCC(C)COC(C)c1ccccc1 7a_100000688023_100000230085 [1,1,0,0,0,0|1,0,1]=4 6534 B15R1.89 CCCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100011216630 [1,1,0,0,0,0|1,0,1]=4 6535 B15R1.89 CCCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100011216630 [1,1,0,0,0,0|1,0,1]=4 6536 B15R1.89 CCCC(C)OCC(=O)c1ccccc1 7a_100000764384_100000211460 [1,1,0,0,0,0|1,0,0]=3 6537 B15R1.89 CCCC(C)OCC(=O)c1ccccn1 34a_100000764384_100000027445 [1,1,0,0,0,0|2,0,0]=4 6538 B15R1.89 CCCC(C)OCC(=O)c1ccccn1 7a_100000764384_100000027445 [1,1,0,0,0,0|2,0,0]=4 6539 B15R1.89 CCCC(C)OCC(=O)c1ccncc1 7a_100000764384_100015248511 [1,1,0,0,0,0|2,0,0]=4 6540 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000766640 [1,1,0,0,0,0|1,0,0]=3 6541 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000766640_100000211460 [1,1,0,0,0,0|1,0,0]=3 6542 B15R1.89 CCCC(C)SCC(=O)c1ccccn1 62a_100000027445_100000766640 [1,1,0,0,0,0|2,0,0]=4 6543 B15R1.89 CCCC(C)SCC(=O)c1ccccn1 62a_100000766640_100000027445 [1,1,0,0,0,0|2,0,0]=4 6544 B15R1.89 CCCC(C)SCC(=O)c1cccnc1 62a_100000757877_100000766640 [1,1,0,0,0,0|2,0,0]=4 6545 B15R1.89 CCCC(C)SCC(=O)c1cccnc1 62a_100000766640_100000757877 [1,1,0,0,0,0|2,0,0]=4 6546 B15R1.89 CCCC(C)SCC(=O)c1ccncc1 62a_100000027454_100000766640 [1,1,0,0,0,0|2,0,0]=4 6547 B15R1.89 CCCC(C)SCC(=O)c1ccncc1 62a_100000766640_100000027454 [1,1,0,0,0,0|2,0,0]=4 6548 B15R1.89 CCCC(C)SCS(=O)c1ccccc1 62a_100000766640_100000031784 [1,1,0,0,0,0|2,0,0]=4 6549 B15R1.89 CCCN(C)CCC(=O)c1ccccc1 2230a_100000747261_100000750707 [1,1,0,0,0,0|1,0,0]=3 6550 B15R1.89 CCCN(C)CCC(=O)c1ccccc1 269982a_100000747261_100000750707 [1,1,0,0,0,0|1,0,0]=3 6551 B15R1.89 CCCN(C)CCS(=O)c1ccccc1 2230a_100000747261_100000740319 [1,1,0,0,0,0|2,0,0]=4 6552 B15R1.89 CCCN(C)CCS(=O)c1ccccc1 269982a_100000747261_100000740319 [1,1,0,0,0,0|2,0,0]=4 6553 B15R1.89 CCCN(C)COC(=O)c1ccccc1 269982a_100000747261_100000073877 [1,1,0,0,0,0|1,0,0]=3 6554 B15R1.89 CCC[C@H](N)COC(C)c1ccccc1 34a_100000732646_100000211855 [1,1,0,0,0,0|1,0,1]=4 6555 B15R1.89 CCNC(C)COC(=O)c1ccccc1 270004a_100015525214_100000000904 [1,1,0,0,0,0|1,0,0]=3 6556 B15R1.89 CCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210202 [1,1,0,0,0,0|1,0,0]=3 6557 B15R1.89 CN(CCO)CCC(=O)c1ccccc1 2230a_100000210263_100000750707 [1,1,0,0,0,0|2,0,0]=4 6558 B15R1.89 CN(CCO)CCC(=O)c1ccccc1 269982a_100000210263_100000750707 [1,1,0,0,0,0|2,0,0]=4 6559 B15R1.89 CN(CCO)COC(=O)c1ccccc1 269982a_100000210263_100000073877 [1,1,0,0,0,0|2,0,0]=4 6560 B15R1.89 COCC(=O)CCC(=O)c1ccccc1 1458a_100000210968_100000750707 [1,1,0,0,0,0|1,0,1]=4 6561 B15R1.89 COCC(=O)COC(=O)c1ccccc1 1458a_100000210968_100000073877 [1,1,0,0,0,0|1,0,1]=4 6562 B15R1.89 COCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000765312 [1,1,0,0,0,0|2,0,0]=4 6563 B15R1.89 COCC(C)SCC(=O)c1ccccc1 62a_100000765312_100000211460 [1,1,0,0,0,0|2,0,0]=4 6564 B15R1.89 COCC(O)CNC(=O)c1ccccc1 240690a_100000756049_100000185807 [1,1,0,0,0,0|2,0,0]=4 6565 B15R1.89 COCC(O)CNC(=O)c1ccccc1 527a_100000756049_100000185807 [1,1,0,0,0,0|2,0,0]=4 6566 B15R1.89 CSCC(=O)CCC(=O)c1ccccc1 1458a_100000184570_100000750707 [1,1,0,0,0,0|1,0,1]=4 6567 B15R1.89 CSCC(=O)COC(=O)c1ccccc1 1458a_100000184570_100000073877 [1,1,0,0,0,0|1,0,1]=4 6568 B15R1.89 O=C(CCO)CCC(=O)c1ccccc1 1458a_100011216618_100000750707 [1,1,0,0,0,0|1,0,1]=4 6569 B15R1.89 O=C(CCO)COC(=O)c1ccccc1 1458a_100011216618_100000073877 [1,1,0,0,0,0|1,0,1]=4 6570 B15R1.93 C=C(C(=O)CCCCC)c1ccccc1 1458a_100000065200_100000210326 [1,1,0,0,0,0|1,0,1]=4 6571 B15R1.93 CC(NCCCF)C(=O)c1ccccc1 2230a_100015189416_100000239700 [1,1,0,0,0,0|2,0,0]=4 6572 B15R1.93 CC(SCCCF)C(=O)c1ccccc1 62a_100000239700_100011934791 [1,1,0,0,0,0|2,0,0]=4 6573 B15R1.93 CC(SCCCF)C(=O)c1ccccc1 62a_100011934791_100000239700 [1,1,0,0,0,0|2,0,0]=4 6574 B15R1.93 CC(SCCCO)C(=O)c1ccccc1 62a_100000239700_100011215043 [1,1,0,0,0,0|2,0,0]=4 6575 B15R1.93 CC(SCCCO)C(=O)c1ccccc1 62a_100011215043_100000239700 [1,1,0,0,0,0|2,0,0]=4 6576 B15R1.93 CCCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011218191 [1,1,0,0,0,0|0,0,0]=2 6577 B15R1.93 CCCCCC(C)N(C)c1ccccc1 2230a_100000210012_200011218191 [1,1,0,0,0,0|2,0,0]=4 6578 B15R1.93 CCCCCC(C)N(C)c1ccccc1 269982a_100000210012_200011218191 [1,1,0,0,0,0|2,0,0]=4 6579 B15R1.93 CCCCCC(C)N(C)c1ccccc1 34a_100000210012_200011218191 [1,1,0,0,0,0|2,0,0]=4 6580 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 11a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 6581 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 1626a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 6582 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 240690a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 6583 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 527a_100000223495_100000185807 [1,1,0,0,0,0|1,0,0]=3 6584 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 2230a_100000102301_100000239700 [1,1,0,0,0,0|1,0,0]=3 6585 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 7a_106832991798_100000239700 [1,1,0,0,0,0|1,0,0]=3 6586 B15R1.93 CCCCOC(C)C(=O)c1ccccc1 7a_100000210227_100000239700 [1,1,0,0,0,0|1,0,0]=3 6587 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000210211_100000239700 [1,1,0,0,0,0|1,0,0]=3 6588 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210210 [1,1,0,0,0,0|1,0,0]=3 6589 B15R1.93 CCOCSC(C)C(=O)c1ccccc1 62a_100000239700_100000739092 [1,1,0,0,0,0|2,0,0]=4 6590 B15R1.93 CCOCSC(C)C(=O)c1ccccc1 62a_100000739092_100000239700 [1,1,0,0,0,0|2,0,0]=4 6591 B15R1.93 CN(CCCCO)C(=O)c1ccccc1 240690a_100000717598_100000185807 [1,1,0,0,0,0|2,0,0]=4 6592 B15R1.93 COCCCN(C)C(=O)c1ccccc1 11a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 6593 B15R1.93 COCCCN(C)C(=O)c1ccccc1 1626a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 6594 B15R1.93 COCCCN(C)C(=O)c1ccccc1 240690a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 6595 B15R1.93 COCCCN(C)C(=O)c1ccccc1 527a_100000224831_100000185807 [1,1,0,0,0,0|2,0,0]=4 6596 B15R1.93 COCCNC(C)C(=O)c1ccccc1 2230a_100000209980_100000239700 [1,1,0,0,0,0|2,0,0]=4 6597 B15R1.93 COCCSC(C)C(=O)c1ccccc1 62a_100000233755_100000239700 [1,1,0,0,0,0|2,0,0]=4 6598 B15R1.93 COCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000233755 [1,1,0,0,0,0|2,0,0]=4 6599 B15R1.93 CSCCNC(C)C(=O)c1ccccc1 2230a_100020590264_100000239700 [1,1,0,0,0,0|2,0,0]=4 6600 B15R1.93 CSCCOC(C)C(=O)c1ccccc1 7a_100000230434_100000239700 [1,1,0,0,0,0|2,0,0]=4 6601 B15R1.93 CSCCSC(C)C(=O)c1ccccc1 62a_100000212216_100000239700 [1,1,0,0,0,0|2,0,0]=4 6602 B15R1.93 CSCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000751147 [1,1,0,0,0,0|2,0,0]=4 6603 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [1,1,0,0,0,0|0,0,1]=3 6604 B15R1.115 CCCCC(=O)CC(=O)c1ccccn1 1458a_100000210183_100000027445 [1,1,0,0,0,0|1,0,1]=4 6605 B15R1.115 CCCCC(=O)CC(=O)c1cccnc1 1458a_100000210183_100015188593 [1,1,0,0,0,0|1,0,1]=4 6606 B15R1.115 CCCCC(=O)CC(=O)c1ccncc1 1458a_100000210183_100000027454 [1,1,0,0,0,0|1,0,1]=4 6607 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 11a_100000126638_100000185807 [1,1,0,0,0,0|1,0,0]=3 6608 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 1626a_100000126638_100000185807 [1,1,0,0,0,0|1,0,0]=3 6609 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 240690a_100000126638_100000185807 [1,1,0,0,0,0|1,0,0]=3 6610 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 527a_100000126638_100000185807 [1,1,0,0,0,0|1,0,0]=3 6611 B15R1.115 CCCCC(C)OC(C)c1ccccc1 34a_100000687866_100000211855 [1,1,0,0,0,0|1,0,1]=4 6612 B15R1.115 CCCCC(C)OC(C)c1ccccc1 7a_100000687866_100000230085 [1,1,0,0,0,0|1,0,1]=4 6613 B15R1.115 CCCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_200011215066 [1,1,0,0,0,0|1,0,1]=4 6614 B15R1.115 CCCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_200011215066 [1,1,0,0,0,0|1,0,1]=4 6615 B15R1.115 CCCCN(C)CC(=O)c1ccccc1 269982a_100000207549_100000211460 [1,1,0,0,0,0|1,0,0]=3 6616 B15R1.115 CCCCN(C)CC(=O)c1ccccn1 269982a_100000207549_100000027445 [1,1,0,0,0,0|2,0,0]=4 6617 B15R1.115 CCCCN(C)CC(=O)c1cccnc1 269982a_100000207549_100000757877 [1,1,0,0,0,0|2,0,0]=4 6618 B15R1.115 CCCCN(C)CC(=O)c1ccncc1 269982a_100000207549_100000027454 [1,1,0,0,0,0|2,0,0]=4 6619 B15R1.115 CCCCN(C)CS(=O)c1ccccc1 269982a_100000207549_100000031784 [1,1,0,0,0,0|2,0,0]=4 6620 B15R1.115 CCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183358 [1,1,0,0,0,0|1,0,1]=4 6621 B15R1.115 CCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_200011215008 [1,1,0,0,0,0|1,0,1]=4 6622 B15R1.115 CCOCC(=O)CC(=O)c1ccccc1 1458a_100000211967_100000211460 [1,1,0,0,0,0|1,0,1]=4 6623 B15R1.115 CCSCC(=O)CC(=O)c1ccccc1 1458a_100000230394_100000211460 [1,1,0,0,0,0|1,0,1]=4 6624 B15R1.115 CN(CCCO)CC(=O)c1ccccc1 269982a_100000213112_100000211460 [1,1,0,0,0,0|2,0,0]=4 6625 B15R1.115 COCCC(=O)CC(=O)c1ccccc1 1458a_100000749529_100000211460 [1,1,0,0,0,0|1,0,1]=4 6626 B15R1.115 COCCN(C)CC(=O)c1ccccc1 269982a_100000743101_100000211460 [1,1,0,0,0,0|2,0,0]=4 6627 B15R1.115 CSCCC(=O)CC(=O)c1ccccc1 1458a_100000174002_100000211460 [1,1,0,0,0,0|1,0,1]=4 6628 B15R1.115 CSCCN(C)CC(=O)c1ccccc1 269982a_100000686725_100000211460 [1,1,0,0,0,0|2,0,0]=4 6629 B15R1.497 C=C(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000730704 [1,1,0,0,0,0|1,0,1]=4 6630 B15R1.497 C=C(C)CCSCC(=O)c1ccccc1 62a_100000730704_100000211460 [1,1,0,0,0,0|1,0,1]=4 6631 B15R1.497 C=C(C)CSCCC(=O)c1ccccc1 62a_100000748629_100000750707 [1,1,0,0,0,0|1,0,1]=4 6632 B15R1.497 C=C(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000211660 [1,1,0,0,0,0|1,0,1]=4 6633 B15R1.497 C=C(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000211660 [1,1,0,0,0,0|1,0,1]=4 6634 B15R1.497 C=C(C)CSCOC(=O)c1ccccc1 62a_100000748629_100000073877 [1,1,0,0,0,0|1,0,1]=4 6635 B15R1.497 CC(=O)CCCCC(=O)c1ccccc1 1458a_100000185807_100000735457 [1,1,0,0,0,0|0,0,1]=3 6636 B15R1.497 CC(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_200000210301 [1,1,0,0,0,0|1,0,1]=4 6637 B15R1.497 CC(=O)CCCOC(=O)c1ccccc1 1458a_100000070787_200009892979 [1,1,0,0,0,0|0,0,1]=3 6638 B15R1.497 CC(=O)CCOCC(=O)c1ccccc1 7a_100000759926_100000211460 [1,1,0,0,0,0|1,0,1]=4 6639 B15R1.497 CC(=O)CCSCC(=O)c1ccccc1 62a_100000053229_100000211460 [1,1,0,0,0,0|1,0,1]=4 6640 B15R1.497 CC(=O)CCSCC(=O)c1ccccc1 62a_100000211460_100000053229 [1,1,0,0,0,0|1,0,1]=4 6641 B15R1.497 CC(=O)OCCCC(=O)c1ccccc1 1458a_100000185807_100000042594 [1,1,0,0,0,0|1,0,1]=4 6642 B15R1.497 CC(=O)SCCCC(=O)c1ccccc1 1458a_100000185807_100000038929 [1,1,0,0,0,0|1,0,1]=4 6643 B15R1.497 CC(=S)OCCCC(=O)c1ccccc1 1458a_100000185807_200135323944 [1,1,0,0,0,0|1,0,1]=4 6644 B15R1.497 CC(Br)CCOCC(=O)c1ccccn1 34a_100009893172_100000027445 [1,1,0,0,0,0|2,0,0]=4 6645 B15R1.497 CC(C)CCCCC(=O)c1ccccc1 1458a_100000185807_100011216152 [1,1,0,0,0,0|0,0,0]=2 6646 B15R1.497 CC(C)CCCCN(C)c1ccccc1 2230a_100000210012_100011216152 [1,1,0,0,0,0|2,0,0]=4 6647 B15R1.497 CC(C)CCCCN(C)c1ccccc1 269982a_100000210012_100011216152 [1,1,0,0,0,0|2,0,0]=4 6648 B15R1.497 CC(C)CCCCN(C)c1ccccc1 34a_100000210012_100011216152 [1,1,0,0,0,0|2,0,0]=4 6649 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 11a_200000737386_100000185807 [1,1,0,0,0,0|1,0,0]=3 6650 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 1626a_200000737386_100000185807 [1,1,0,0,0,0|1,0,0]=3 6651 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 240690a_200000737386_100000185807 [1,1,0,0,0,0|1,0,0]=3 6652 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 527a_200000737386_100000185807 [1,1,0,0,0,0|1,0,0]=3 6653 B15R1.497 CC(C)CCCOC(C)c1ccccc1 34a_100000210774_100000211855 [1,1,0,0,0,0|1,0,1]=4 6654 B15R1.497 CC(C)CCCOC(C)c1ccccc1 7a_100000210774_100000230085 [1,1,0,0,0,0|1,0,1]=4 6655 B15R1.497 CC(C)CCCO[C@H](C)c1ccccc1 34a_100000761318_100011214892 [1,1,0,0,0,0|1,0,1]=4 6656 B15R1.497 CC(C)CCCO[C@H](C)c1ccccc1 7a_100000761318_100011214892 [1,1,0,0,0,0|1,0,1]=4 6657 B15R1.497 CC(C)CCOCC(=O)c1ccccc1 7a_100000210254_100000211460 [1,1,0,0,0,0|1,0,0]=3 6658 B15R1.497 CC(C)CCOCC(=O)c1ccccn1 34a_100000210254_100000027445 [1,1,0,0,0,0|2,0,0]=4 6659 B15R1.497 CC(C)CCOCC(=O)c1ccccn1 7a_100000210254_100000027445 [1,1,0,0,0,0|2,0,0]=4 6660 B15R1.497 CC(C)CCOCC(=O)c1ccncc1 7a_100000210254_100015248511 [1,1,0,0,0,0|2,0,0]=4 6661 B15R1.497 CC(C)CCSCC(=O)c1ccccc1 62a_100000210312_100000211460 [1,1,0,0,0,0|1,0,0]=3 6662 B15R1.497 CC(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000210312 [1,1,0,0,0,0|1,0,0]=3 6663 B15R1.497 CC(C)CCSCC(=O)c1ccccn1 62a_100000027445_100000210312 [1,1,0,0,0,0|2,0,0]=4 6664 B15R1.497 CC(C)CCSCC(=O)c1ccccn1 62a_100000210312_100000027445 [1,1,0,0,0,0|2,0,0]=4 6665 B15R1.497 CC(C)CCSCC(=O)c1cccnc1 62a_100000210312_100000757877 [1,1,0,0,0,0|2,0,0]=4 6666 B15R1.497 CC(C)CCSCC(=O)c1cccnc1 62a_100000757877_100000210312 [1,1,0,0,0,0|2,0,0]=4 6667 B15R1.497 CC(C)CCSCC(=O)c1ccncc1 62a_100000027454_100000210312 [1,1,0,0,0,0|2,0,0]=4 6668 B15R1.497 CC(C)CCSCC(=O)c1ccncc1 62a_100000210312_100000027454 [1,1,0,0,0,0|2,0,0]=4 6669 B15R1.497 CC(C)CCSCS(=O)c1ccccc1 62a_100000210312_100000031784 [1,1,0,0,0,0|2,0,0]=4 6670 B15R1.497 CC(C)CNCCC(=O)c1ccccc1 2230a_100000210953_100000750707 [1,1,0,0,0,0|1,0,0]=3 6671 B15R1.497 CC(C)CNCCS(=O)c1ccccc1 2230a_100000210953_100000740319 [1,1,0,0,0,0|2,0,0]=4 6672 B15R1.497 CC(C)CSCCC(=O)c1ccccc1 62a_100000210624_100000750707 [1,1,0,0,0,0|1,0,0]=3 6673 B15R1.497 CC(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000210760 [1,1,0,0,0,0|1,0,0]=3 6674 B15R1.497 CC(C)CSCCS(=O)c1ccccc1 62a_100000210624_100000740319 [1,1,0,0,0,0|2,0,0]=4 6675 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000210760 [1,1,0,0,0,0|1,0,0]=3 6676 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000210624_100000073877 [1,1,0,0,0,0|1,0,0]=3 6677 B15R1.497 CC(C)NCCCC(=O)c1ccccc1 2230a_100138425928_100000211006 [1,1,0,0,0,0|1,0,0]=3 6678 B15R1.497 CC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000210206 [1,1,0,0,0,0|2,0,0]=4 6679 B15R1.497 CC(C)NCCOC(=O)c1ccccc1 34a_100138425928_100009812718 [1,1,0,0,0,0|1,0,0]=3 6680 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 11a_100000701111_100000185807 [1,1,0,0,0,0|2,0,0]=4 6681 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 1626a_100000701111_100000185807 [1,1,0,0,0,0|2,0,0]=4 6682 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 240690a_100000701111_100000185807 [1,1,0,0,0,0|2,0,0]=4 6683 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100000210206 [1,1,0,0,0,0|2,0,0]=4 6684 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 527a_100000701111_100000185807 [1,1,0,0,0,0|2,0,0]=4 6685 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000210206 [1,1,0,0,0,0|2,0,0]=4 6686 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 34a_100000212225_100009812718 [1,1,0,0,0,0|1,0,0]=3 6687 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000210206 [1,1,0,0,0,0|1,0,0]=3 6688 B15R1.497 CC(C)OCSCC(=O)c1ccccc1 62a_100000211460_100000709892 [1,1,0,0,0,0|2,0,0]=4 6689 B15R1.497 CC(C)OCSCC(=O)c1ccccc1 62a_100000709892_100000211460 [1,1,0,0,0,0|2,0,0]=4 6690 B15R1.497 CC(C)SCCCC(=O)c1ccccc1 62a_100000210206_100000211006 [1,1,0,0,0,0|1,0,0]=3 6691 B15R1.497 CC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000210206 [1,1,0,0,0,0|1,0,0]=3 6692 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 11a_100000731138_100000185807 [1,1,0,0,0,0|2,0,0]=4 6693 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 1626a_100000731138_100000185807 [1,1,0,0,0,0|2,0,0]=4 6694 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 240690a_100000731138_100000185807 [1,1,0,0,0,0|2,0,0]=4 6695 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 527a_100000731138_100000185807 [1,1,0,0,0,0|2,0,0]=4 6696 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 62a_100000210206_200011215302 [1,1,0,0,0,0|2,0,0]=4 6697 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000210206 [1,1,0,0,0,0|2,0,0]=4 6698 B15R1.497 CC(C)SCCOC(=O)c1ccccc1 62a_100000210206_100009812718 [1,1,0,0,0,0|1,0,0]=3 6699 B15R1.497 CC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000210206 [1,1,0,0,0,0|1,0,0]=3 6700 B15R1.497 CC(O)CCCO[C@H](C)c1ccccc1 34a_100000761318_200000718107 [1,1,0,0,0,0|1,0,1]=4 6701 B15R1.497 CC(O)CCCO[C@H](C)c1ccccc1 7a_100000761318_200000718107 [1,1,0,0,0,0|1,0,1]=4 6702 B15R1.497 CC(O)CCSCC(=O)c1ccccc1 62a_100000211460_100012276601 [1,1,0,0,0,0|1,0,0]=3 6703 B15R1.497 CC(O)CCSCC(=O)c1ccccc1 62a_100012276601_100000211460 [1,1,0,0,0,0|1,0,0]=3 6704 B15R1.497 CC(O)CCSCC(=O)c1ccccn1 62a_100000027445_100012276601 [1,1,0,0,0,0|2,0,0]=4 6705 B15R1.497 CC(O)CCSCC(=O)c1ccccn1 62a_100012276601_100000027445 [1,1,0,0,0,0|2,0,0]=4 6706 B15R1.497 CC(O)CCSCC(=O)c1cccnc1 62a_100000757877_100012276601 [1,1,0,0,0,0|2,0,0]=4 6707 B15R1.497 CC(O)CCSCC(=O)c1cccnc1 62a_100012276601_100000757877 [1,1,0,0,0,0|2,0,0]=4 6708 B15R1.497 CC(O)CCSCC(=O)c1ccncc1 62a_100000027454_100012276601 [1,1,0,0,0,0|2,0,0]=4 6709 B15R1.497 CC(O)CCSCC(=O)c1ccncc1 62a_100012276601_100000027454 [1,1,0,0,0,0|2,0,0]=4 6710 B15R1.497 CC(O)CCSCS(=O)c1ccccc1 62a_100012276601_100000031784 [1,1,0,0,0,0|2,0,0]=4 6711 B15R1.497 CC(O)CNCCC(=O)c1ccccc1 2230a_100000210904_100000750707 [1,1,0,0,0,0|1,0,0]=3 6712 B15R1.497 CC(O)CNCCS(=O)c1ccccc1 2230a_100000210904_100000740319 [1,1,0,0,0,0|2,0,0]=4 6713 B15R1.497 CC(O)CSCCC(=O)c1ccccc1 62a_100000750707_100011218427 [1,1,0,0,0,0|1,0,0]=3 6714 B15R1.497 CC(O)CSCCC(=O)c1ccccc1 62a_100011218427_100000750707 [1,1,0,0,0,0|1,0,0]=3 6715 B15R1.497 CC(O)CSCCS(=O)c1ccccc1 62a_100011218427_100000740319 [1,1,0,0,0,0|2,0,0]=4 6716 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011218427 [1,1,0,0,0,0|1,0,0]=3 6717 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100011218427_100000073877 [1,1,0,0,0,0|1,0,0]=3 6718 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 240690a_102531767803_100000185807 [1,1,0,0,0,0|2,0,0]=4 6719 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 527a_102531767803_100000185807 [1,1,0,0,0,0|2,0,0]=4 6720 B15R1.497 CN(C)CCCOC(=O)c1ccccc1 269982a_100102631434_200009892979 [1,1,0,0,0,0|1,0,0]=3 6721 B15R1.497 CN(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000755713 [1,1,0,0,0,0|2,0,0]=4 6722 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 11a_200000753449_100000185807 [1,1,0,0,0,0|2,0,0]=4 6723 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 240690a_200000753449_100000185807 [1,1,0,0,0,0|2,0,0]=4 6724 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 527a_200000753449_100000185807 [1,1,0,0,0,0|2,0,0]=4 6725 B15R1.497 C[C@@H](N)CCOCC(=O)c1ccccn1 34a_100000706166_100000027445 [1,1,0,0,0,0|2,0,0]=4 6726 B15R1.497 C[C@@H](O)CSCCC(=O)c1ccccc1 62a_100000750707_100009817552 [1,1,0,0,0,0|1,0,0]=3 6727 B15R1.497 C[C@@H](O)CSCCC(=O)c1ccccc1 62a_100009817552_100000750707 [1,1,0,0,0,0|1,0,0]=3 6728 B15R1.497 C[C@@H](O)CSCCS(=O)c1ccccc1 62a_100009817552_100000740319 [1,1,0,0,0,0|2,0,0]=4 6729 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100000073877_100009817552 [1,1,0,0,0,0|1,0,0]=3 6730 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100009817552_100000073877 [1,1,0,0,0,0|1,0,0]=3 6731 B15R1.497 O=C(CCCCB(O)O)c1ccccc1 1458a_100000185807_200009817182 [1,1,0,0,0,0|2,0,0]=4 6732 B15R1.497 O=C(CCOCC(F)F)c1ccccc1 1458a_100000185807_200012177212 [1,1,0,0,0,0|2,0,0]=4 6733 B15R1.497 O=C(CCSCC(F)F)c1ccccc1 62a_100000750707_100011934356 [1,1,0,0,0,0|2,0,0]=4 6734 B15R1.497 O=C(CCSCC(F)F)c1ccccc1 62a_100011934356_100000750707 [1,1,0,0,0,0|2,0,0]=4 6735 B15R1.497 O=C(OCSCC(F)F)c1ccccc1 62a_100000073877_100011934356 [1,1,0,0,0,0|2,0,0]=4 6736 B15R1.497 O=C(OCSCC(F)F)c1ccccc1 62a_100011934356_100000073877 [1,1,0,0,0,0|2,0,0]=4 6737 B15R1.497 [13CH3]C(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_200025704644 [1,1,0,0,0,0|1,0,1]=4 6738 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 270084a_100000209983_100000210345 [1,1,0,0,0,0|2,0,0]=4 6739 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 274078a_100000209983_100000210345 [1,1,0,0,0,0|2,0,0]=4 6740 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 40a_100000209983_100000032697 [1,1,0,0,0,0|2,0,0]=4 6741 B15R1.536 CCCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210326 [1,1,0,0,0,0|1,0,1]=4 6742 B15R1.536 CCCCCOC(F)(F)c1ccccc1 7a_100000210253_100000036403 [1,1,0,0,0,0|1,0,1]=4 6743 B15R1.536 CCCCOCS(=O)(=O)c1ccccc1 34a_100000210227_200009813291 [1,1,0,0,0,0|2,0,0]=4 6744 B15R1.536 CCCCSCS(=O)(=O)c1ccccc1 62a_100000210211_100000240042 [1,1,0,0,0,0|2,0,0]=4 6745 B15R1.536 CCCCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210210 [1,1,0,0,0,0|2,0,0]=4 6746 B15R1.536 CCCNCCS(=O)(=O)c1ccccc1 2230a_100000168333_100000210303 [1,1,0,0,0,0|2,0,0]=4 6747 B15R1.536 CCCOCCS(=O)(=O)c1ccccc1 34a_200011215558_100000210303 [1,1,0,0,0,0|2,0,0]=4 6748 B15R1.536 CCCOCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210303 [1,1,0,0,0,0|2,0,0]=4 6749 B15R1.536 CCCSCCS(=O)(=O)c1ccccc1 62a_100000210303_100000229977 [1,1,0,0,0,0|2,0,0]=4 6750 B15R1.536 CCCSCCS(=O)(=O)c1ccccc1 62a_100000229977_100000210303 [1,1,0,0,0,0|2,0,0]=4 6751 B15R1.536 CCOCCOS(=O)(=O)c1ccccc1 34a_100121572206_200000070464 [1,1,0,0,0,0|2,0,0]=4 6752 B15R1.536 CCSCCOS(=O)(=O)c1ccccc1 62a_100000210202_200000070464 [1,1,0,0,0,0|2,0,0]=4 6753 B15R1.959 C=C(CCCC(=O)CC)c1ccccc1 1458a_200009911520_100000210202 [1,1,0,0,0,0|1,0,1]=4 6754 B15R1.959 CC(CF)OCCC(=O)c1ccccc1 7a_100016041109_100000750707 [1,1,0,0,0,0|2,0,0]=4 6755 B15R1.959 CC(CF)OCOC(=O)c1ccccc1 7a_100016041109_100000073877 [1,1,0,0,0,0|2,0,0]=4 6756 B15R1.959 CC(CO)CCNC(=O)c1ccccc1 240690a_106354213184_100000185807 [1,1,0,0,0,0|2,0,0]=4 6757 B15R1.959 CC(CO)CCNC(=O)c1ccccc1 527a_106354213184_100000185807 [1,1,0,0,0,0|2,0,0]=4 6758 B15R1.959 CC(CO)SCCC(=O)c1ccccc1 62a_100012180447_100000750707 [1,1,0,0,0,0|2,0,0]=4 6759 B15R1.959 CC(CO)SCOC(=O)c1ccccc1 62a_100012180447_100000073877 [1,1,0,0,0,0|2,0,0]=4 6760 B15R1.959 CCC(=O)CCCC(=O)c1ccccc1 1458a_100000210414_100000211006 [1,1,0,0,0,0|0,0,1]=3 6761 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210202 [1,1,0,0,0,0|1,0,1]=4 6762 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000210414_200011215302 [1,1,0,0,0,0|1,0,1]=4 6763 B15R1.959 CCC(=O)CCOC(=O)c1ccccc1 1458a_100000210414_100000184176 [1,1,0,0,0,0|0,0,1]=3 6764 B15R1.959 CCC(=O)CSCC(=O)c1ccccc1 62a_100000211460_100000747405 [1,1,0,0,0,0|1,0,1]=4 6765 B15R1.959 CCC(=O)CSCC(=O)c1ccccc1 62a_100000747405_100000211460 [1,1,0,0,0,0|1,0,1]=4 6766 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 11a_100020591266_100000185807 [1,1,0,0,0,0|1,0,0]=3 6767 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 1626a_100020591266_100000185807 [1,1,0,0,0,0|1,0,0]=3 6768 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 240690a_100020591266_100000185807 [1,1,0,0,0,0|1,0,0]=3 6769 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 527a_100020591266_100000185807 [1,1,0,0,0,0|1,0,0]=3 6770 B15R1.959 CCC(C)CCOC(C)c1ccccc1 7a_100011215188_100000230085 [1,1,0,0,0,0|1,0,1]=4 6771 B15R1.959 CCC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000748023 [1,1,0,0,0,0|1,0,0]=3 6772 B15R1.959 CCC(C)CSCC(=O)c1ccccc1 62a_100000748023_100000211460 [1,1,0,0,0,0|1,0,0]=3 6773 B15R1.959 CCC(C)CSCC(=O)c1ccccn1 62a_100000027445_100000748023 [1,1,0,0,0,0|2,0,0]=4 6774 B15R1.959 CCC(C)CSCC(=O)c1ccccn1 62a_100000748023_100000027445 [1,1,0,0,0,0|2,0,0]=4 6775 B15R1.959 CCC(C)CSCC(=O)c1cccnc1 62a_100000748023_100000757877 [1,1,0,0,0,0|2,0,0]=4 6776 B15R1.959 CCC(C)CSCC(=O)c1cccnc1 62a_100000757877_100000748023 [1,1,0,0,0,0|2,0,0]=4 6777 B15R1.959 CCC(C)CSCC(=O)c1ccncc1 62a_100000027454_100000748023 [1,1,0,0,0,0|2,0,0]=4 6778 B15R1.959 CCC(C)CSCC(=O)c1ccncc1 62a_100000748023_100000027454 [1,1,0,0,0,0|2,0,0]=4 6779 B15R1.959 CCC(C)CSCS(=O)c1ccccc1 62a_100000748023_100000031784 [1,1,0,0,0,0|2,0,0]=4 6780 B15R1.959 CCC(C)NCCC(=O)c1ccccc1 2230a_100000209981_100000750707 [1,1,0,0,0,0|1,0,0]=3 6781 B15R1.959 CCC(C)NCCS(=O)c1ccccc1 2230a_100000209981_100000740319 [1,1,0,0,0,0|2,0,0]=4 6782 B15R1.959 CCC(C)OCCC(=O)c1ccccc1 7a_100000210228_100000750707 [1,1,0,0,0,0|1,0,0]=3 6783 B15R1.959 CCC(C)OCCS(=O)c1ccccc1 7a_100000210228_100000740319 [1,1,0,0,0,0|2,0,0]=4 6784 B15R1.959 CCC(C)OCOC(=O)c1ccccc1 7a_100000210228_100000073877 [1,1,0,0,0,0|1,0,0]=3 6785 B15R1.959 CCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000758301 [1,1,0,0,0,0|1,0,0]=3 6786 B15R1.959 CCC(C)SCCC(=O)c1ccccc1 62a_100000758301_100000750707 [1,1,0,0,0,0|1,0,0]=3 6787 B15R1.959 CCC(C)SCCS(=O)c1ccccc1 62a_100000758301_100000740319 [1,1,0,0,0,0|2,0,0]=4 6788 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000758301 [1,1,0,0,0,0|1,0,0]=3 6789 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000758301_100000073877 [1,1,0,0,0,0|1,0,0]=3 6790 B15R1.959 CCC(O)CNNC(=O)c1ccccc1 22a_100015206393_100000185807 [1,1,0,0,0,0|2,0,0]=4 6791 B15R1.959 CCC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218378 [1,1,0,0,0,0|1,0,0]=3 6792 B15R1.959 CCC(O)CSCC(=O)c1ccccc1 62a_100011218378_100000211460 [1,1,0,0,0,0|1,0,0]=3 6793 B15R1.959 CCC(O)CSCC(=O)c1ccccn1 62a_100000027445_100011218378 [1,1,0,0,0,0|2,0,0]=4 6794 B15R1.959 CCC(O)CSCC(=O)c1ccccn1 62a_100011218378_100000027445 [1,1,0,0,0,0|2,0,0]=4 6795 B15R1.959 CCC(O)CSCC(=O)c1cccnc1 62a_100000757877_100011218378 [1,1,0,0,0,0|2,0,0]=4 6796 B15R1.959 CCC(O)CSCC(=O)c1cccnc1 62a_100011218378_100000757877 [1,1,0,0,0,0|2,0,0]=4 6797 B15R1.959 CCC(O)CSCC(=O)c1ccncc1 62a_100000027454_100011218378 [1,1,0,0,0,0|2,0,0]=4 6798 B15R1.959 CCC(O)CSCC(=O)c1ccncc1 62a_100011218378_100000027454 [1,1,0,0,0,0|2,0,0]=4 6799 B15R1.959 CCC(O)CSCS(=O)c1ccccc1 62a_100011218378_100000031784 [1,1,0,0,0,0|2,0,0]=4 6800 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100015186262 [1,1,0,0,0,0|1,0,0]=3 6801 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 2230a_100000225621_100000211006 [1,1,0,0,0,0|1,0,0]=3 6802 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 269982a_100000225621_100000211006 [1,1,0,0,0,0|1,0,0]=3 6803 B15R1.959 CCN(C)CCNC(=O)c1ccccc1 269982a_100000225621_200011215302 [1,1,0,0,0,0|2,0,0]=4 6804 B15R1.959 CCN(C)CCOC(=O)c1ccccc1 269982a_100000225621_100009812718 [1,1,0,0,0,0|1,0,0]=3 6805 B15R1.959 CC[C@H](C)COCC(=O)c1ccccc1 7a_100009816381_100000211460 [1,1,0,0,0,0|1,0,0]=3 6806 B15R1.959 CC[C@H](C)COCC(=O)c1ccccn1 7a_100009816381_100000027445 [1,1,0,0,0,0|2,0,0]=4 6807 B15R1.959 CC[C@H](C)COCC(=O)c1ccncc1 7a_100009816381_100015248511 [1,1,0,0,0,0|2,0,0]=4 6808 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccc1 62a_100000211460_100009816398 [1,1,0,0,0,0|1,0,0]=3 6809 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccc1 62a_100009816398_100000211460 [1,1,0,0,0,0|1,0,0]=3 6810 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccn1 62a_100000027445_100009816398 [1,1,0,0,0,0|2,0,0]=4 6811 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccn1 62a_100009816398_100000027445 [1,1,0,0,0,0|2,0,0]=4 6812 B15R1.959 CC[C@H](C)CSCC(=O)c1cccnc1 62a_100000757877_100009816398 [1,1,0,0,0,0|2,0,0]=4 6813 B15R1.959 CC[C@H](C)CSCC(=O)c1cccnc1 62a_100009816398_100000757877 [1,1,0,0,0,0|2,0,0]=4 6814 B15R1.959 CC[C@H](C)CSCC(=O)c1ccncc1 62a_100000027454_100009816398 [1,1,0,0,0,0|2,0,0]=4 6815 B15R1.959 CC[C@H](C)CSCC(=O)c1ccncc1 62a_100009816398_100000027454 [1,1,0,0,0,0|2,0,0]=4 6816 B15R1.959 CC[C@H](C)CSCS(=O)c1ccccc1 62a_100009816398_100000031784 [1,1,0,0,0,0|2,0,0]=4 6817 B15R1.959 CNC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100000741757 [1,1,0,0,0,0|1,0,1]=4 6818 B15R1.959 COC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011218270 [1,1,0,0,0,0|1,0,1]=4 6819 B15R1.959 COC(C)SCCC(=O)c1ccccc1 62a_100000750707_100009879195 [1,1,0,0,0,0|2,0,0]=4 6820 B15R1.959 COC(C)SCCC(=O)c1ccccc1 62a_100009879195_100000750707 [1,1,0,0,0,0|2,0,0]=4 6821 B15R1.959 COC(C)SCOC(=O)c1ccccc1 62a_100000073877_100009879195 [1,1,0,0,0,0|2,0,0]=4 6822 B15R1.959 COC(C)SCOC(=O)c1ccccc1 62a_100009879195_100000073877 [1,1,0,0,0,0|2,0,0]=4 6823 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccccc1 62a_100000059175_100000211460 [1,1,0,0,0,0|2,0,0]=4 6824 B15R1.959 C[C@@H](CO)CSCC(=O)c1ccccc1 62a_100000211460_100000059175 [1,1,0,0,0,0|2,0,0]=4 6825 B15R1.959 C[C@H](CO)NCCC(=O)c1ccccc1 2230a_100000737577_100000750707 [1,1,0,0,0,0|2,0,0]=4 6826 B15R1.959 C[C@H](CO)SCCC(=O)c1ccccc1 62a_100000750707_100016084084 [1,1,0,0,0,0|2,0,0]=4 6827 B15R1.959 C[C@H](CO)SCCC(=O)c1ccccc1 62a_100016084084_100000750707 [1,1,0,0,0,0|2,0,0]=4 6828 B15R1.959 C[C@H](CO)SCOC(=O)c1ccccc1 62a_100000073877_100016084084 [1,1,0,0,0,0|2,0,0]=4 6829 B15R1.959 C[C@H](CO)SCOC(=O)c1ccccc1 62a_100016084084_100000073877 [1,1,0,0,0,0|2,0,0]=4 6830 B15R1.959 O=C(CO)CCCC(=O)c1ccccc1 1458a_100000210174_100000211006 [1,1,0,0,0,0|1,0,1]=4 6831 B15R1.959 O=C(CO)CCOC(=O)c1ccccc1 1458a_100000210174_100000184176 [1,1,0,0,0,0|1,0,1]=4 6832 B15R1.959 O=C(CSCC(O)CO)c1ccccc1 62a_100000211460_100011219619 [1,1,0,0,0,0|2,0,0]=4 6833 B15R1.959 O=C(CSCC(O)CO)c1ccccc1 62a_100011219619_100000211460 [1,1,0,0,0,0|2,0,0]=4 6834 B15R1.959 O=C(CSC[C@@H](O)CF)c1ccccc1 62a_100000211460_100015614560 [1,1,0,0,0,0|2,0,0]=4 6835 B15R1.959 O=C(CSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000211460 [1,1,0,0,0,0|2,0,0]=4 6836 B15R1.959 O=C(CSC[C@@H](O)CO)c1ccccc1 62a_100000211460_100009815848 [1,1,0,0,0,0|2,0,0]=4 6837 B15R1.959 O=C(CSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000211460 [1,1,0,0,0,0|2,0,0]=4 6838 B15R1.3965 C#CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100010269958 [1,1,0,0,0,0|0,0,2]=4 6839 B15R1.3965 C#CCCCCC(=O)c1ccccc1C 1458a_100000212026_100010269958 [1,1,0,0,0,0|0,0,2]=4 6840 B15R1.3965 C#CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100010269958 [1,1,0,0,0,0|0,0,2]=4 6841 B15R1.3965 C#CCCCCC(=O)c1ccccc1F 1458a_100000188656_100010269958 [1,1,0,0,0,0|0,0,2]=4 6842 B15R1.3965 C#CCCCCC(=O)c1ccccc1I 1458a_100000187884_100010269958 [1,1,0,0,0,0|0,0,2]=4 6843 B15R1.3965 C#CCCCCC(=O)c1ccccc1O 1458a_100015234032_100010269958 [1,1,0,0,0,0|0,0,2]=4 6844 B15R1.3965 C#CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100010269958 [1,1,0,0,0,0|0,0,2]=4 6845 B15R1.3965 C=CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100011215482 [1,1,0,0,0,0|0,0,2]=4 6846 B15R1.3965 C=CCCCCC(=O)c1ccccc1C 1458a_100000212026_100011215482 [1,1,0,0,0,0|0,0,2]=4 6847 B15R1.3965 C=CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215482 [1,1,0,0,0,0|0,0,2]=4 6848 B15R1.3965 C=CCCCCC(=O)c1ccccc1F 1458a_100000188656_100011215482 [1,1,0,0,0,0|0,0,2]=4 6849 B15R1.3965 C=CCCCCC(=O)c1ccccc1I 1458a_100000187884_100011215482 [1,1,0,0,0,0|0,0,2]=4 6850 B15R1.3965 C=CCCCCC(=O)c1ccccc1O 1458a_100015234032_100011215482 [1,1,0,0,0,0|0,0,2]=4 6851 B15R1.3965 C=CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215482 [1,1,0,0,0,0|0,0,2]=4 6852 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1Br 1458a_100000188424_100015370543 [1,1,0,0,0,0|0,0,2]=4 6853 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1C 1458a_100000212026_100015370543 [1,1,0,0,0,0|0,0,2]=4 6854 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1Cl 1458a_100000185844_100015370543 [1,1,0,0,0,0|0,0,2]=4 6855 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1F 1458a_100000188656_100015370543 [1,1,0,0,0,0|0,0,2]=4 6856 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1I 1458a_100000187884_100015370543 [1,1,0,0,0,0|0,0,2]=4 6857 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1O 1458a_100015234032_100015370543 [1,1,0,0,0,0|0,0,2]=4 6858 B15R1.3965 CC/C=C\CCC(=O)c1ccccc1[O-] 1458a_100009911694_100015370543 [1,1,0,0,0,0|0,0,2]=4 6859 B15R1.3965 CCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210757 [1,1,0,0,0,0|0,0,0]=2 6860 B15R1.3965 CCCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210757 [1,1,0,0,0,0|0,0,0]=2 6861 B15R1.3965 CCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210757 [1,1,0,0,0,0|0,0,0]=2 6862 B15R1.3965 CCCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210757 [1,1,0,0,0,0|0,0,0]=2 6863 B15R1.3965 CCCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210757 [1,1,0,0,0,0|0,0,0]=2 6864 B15R1.3965 CCCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210757 [1,1,0,0,0,0|0,0,0]=2 6865 B15R1.3965 CCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210757 [1,1,0,0,0,0|0,0,0]=2 6866 B15R1.3965 CCCCCCN(C)c1ccccc1Br 2230a_100020606079_100000210314 [1,1,0,0,0,0|2,0,0]=4 6867 B15R1.3965 CCCCCCN(C)c1ccccc1Br 269982a_100020606079_100000210757 [1,1,0,0,0,0|2,0,0]=4 6868 B15R1.3965 CCCCCCN(C)c1ccccc1Br 34a_100020606079_100000210314 [1,1,0,0,0,0|2,0,0]=4 6869 B15R1.3965 CCCCCCN(C)c1ccccc1C 2230a_100000219699_100000210314 [1,1,0,0,0,0|2,0,0]=4 6870 B15R1.3965 CCCCCCN(C)c1ccccc1C 269982a_100000219699_100000210757 [1,1,0,0,0,0|2,0,0]=4 6871 B15R1.3965 CCCCCCN(C)c1ccccc1C 34a_100000219699_100000210314 [1,1,0,0,0,0|2,0,0]=4 6872 B15R1.3965 CCCCCCN(C)c1ccccc1Cl 2230a_100000219374_100000210314 [1,1,0,0,0,0|2,0,0]=4 6873 B15R1.3965 CCCCCCN(C)c1ccccc1Cl 269982a_100000219374_100000210757 [1,1,0,0,0,0|2,0,0]=4 6874 B15R1.3965 CCCCCCN(C)c1ccccc1Cl 34a_100000219374_100000210314 [1,1,0,0,0,0|2,0,0]=4 6875 B15R1.3965 CCCCCCN(C)c1ccccc1F 2230a_100000220357_100000210314 [1,1,0,0,0,0|2,0,0]=4 6876 B15R1.3965 CCCCCCN(C)c1ccccc1F 269982a_100000220357_100000210757 [1,1,0,0,0,0|2,0,0]=4 6877 B15R1.3965 CCCCCCN(C)c1ccccc1F 34a_100000220357_100000210314 [1,1,0,0,0,0|2,0,0]=4 6878 B15R1.3965 CCCCCCN(C)c1ccccc1F 38a_100000220357_100000210757 [1,1,0,0,0,0|2,0,0]=4 6879 B15R1.3965 CCCCCCN(C)c1ccccc1O 269982a_100000033821_100000210757 [1,1,0,0,0,0|2,0,0]=4 6880 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 11a_100000209983_100000188424 [1,1,0,0,0,0|1,0,0]=3 6881 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 1626a_100000209983_100000188424 [1,1,0,0,0,0|1,0,0]=3 6882 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 240690a_100000209983_100000188424 [1,1,0,0,0,0|1,0,0]=3 6883 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 527a_100000209983_100000188424 [1,1,0,0,0,0|1,0,0]=3 6884 B15R1.3965 CCCCCNC(=O)c1ccccc1C 11a_100000209983_100000212026 [1,1,0,0,0,0|1,0,0]=3 6885 B15R1.3965 CCCCCNC(=O)c1ccccc1C 1626a_100000209983_100000212026 [1,1,0,0,0,0|1,0,0]=3 6886 B15R1.3965 CCCCCNC(=O)c1ccccc1C 240690a_100000209983_100000212026 [1,1,0,0,0,0|1,0,0]=3 6887 B15R1.3965 CCCCCNC(=O)c1ccccc1C 527a_100000209983_100000212026 [1,1,0,0,0,0|1,0,0]=3 6888 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 11a_100000209983_100000185844 [1,1,0,0,0,0|1,0,0]=3 6889 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 1626a_100000209983_100000185844 [1,1,0,0,0,0|1,0,0]=3 6890 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 240690a_100000209983_100000185844 [1,1,0,0,0,0|1,0,0]=3 6891 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 527a_100000209983_100000185844 [1,1,0,0,0,0|1,0,0]=3 6892 B15R1.3965 CCCCCNC(=O)c1ccccc1F 11a_100000209983_100000188656 [1,1,0,0,0,0|1,0,0]=3 6893 B15R1.3965 CCCCCNC(=O)c1ccccc1F 1626a_100000209983_100000188656 [1,1,0,0,0,0|1,0,0]=3 6894 B15R1.3965 CCCCCNC(=O)c1ccccc1F 240690a_100000209983_100000188656 [1,1,0,0,0,0|1,0,0]=3 6895 B15R1.3965 CCCCCNC(=O)c1ccccc1F 527a_100000209983_100000188656 [1,1,0,0,0,0|1,0,0]=3 6896 B15R1.3965 CCCCCNC(=O)c1ccccc1I 11a_100000209983_100000187884 [1,1,0,0,0,0|1,0,0]=3 6897 B15R1.3965 CCCCCNC(=O)c1ccccc1I 1626a_100000209983_100000187884 [1,1,0,0,0,0|1,0,0]=3 6898 B15R1.3965 CCCCCNC(=O)c1ccccc1I 240690a_100000209983_100000187884 [1,1,0,0,0,0|1,0,0]=3 6899 B15R1.3965 CCCCCNC(=O)c1ccccc1I 527a_100000209983_100000187884 [1,1,0,0,0,0|1,0,0]=3 6900 B15R1.3965 CCCCCNC(=O)c1ccccc1O 240690a_100000209983_100015234032 [1,1,0,0,0,0|1,0,0]=3 6901 B15R1.3965 CCCCCNC(=O)c1ccccc1O 271570a_203496583355_200000152840 [1,1,0,0,0,0|1,0,0]=3 6902 B15R1.3965 CCCCCNC(=O)c1ccccc1[O-] 1626a_100000209983_100009911694 [1,1,0,0,0,0|1,0,0]=3 6903 B15R1.3965 CCCCCNC(=O)c1ccccc1[O-] 240690a_100000209983_100009911694 [1,1,0,0,0,0|1,0,0]=3 6904 B15R1.3965 CCCCCNC(=O)c1ccccc1[O-] 527a_100000209983_100009911694 [1,1,0,0,0,0|1,0,0]=3 6905 B15R1.3965 CCCCCOC(C)c1ccccc1Br 34a_100000702211_100000718602 [1,1,0,0,0,0|1,0,1]=4 6906 B15R1.3965 CCCCCOC(C)c1ccccc1Br 7a_100000702211_100000210326 [1,1,0,0,0,0|1,0,1]=4 6907 B15R1.3965 CCCCCOC(C)c1ccccc1C 34a_100000742021_100000718602 [1,1,0,0,0,0|1,0,1]=4 6908 B15R1.3965 CCCCCOC(C)c1ccccc1C 7a_100000742021_100000210326 [1,1,0,0,0,0|1,0,1]=4 6909 B15R1.3965 CCCCCOC(C)c1ccccc1Cl 34a_100000740796_100000718602 [1,1,0,0,0,0|1,0,1]=4 6910 B15R1.3965 CCCCCOC(C)c1ccccc1Cl 7a_100000210253_100000181259 [1,1,0,0,0,0|1,0,1]=4 6911 B15R1.3965 CCCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210326 [1,1,0,0,0,0|1,0,1]=4 6912 B15R1.3965 CCCCCOC(C)c1ccccc1F 34a_100000210253_200000741388 [1,1,0,0,0,0|1,0,1]=4 6913 B15R1.3965 CCCCCOC(C)c1ccccc1F 34a_100000697922_100000718602 [1,1,0,0,0,0|1,0,1]=4 6914 B15R1.3965 CCCCCOC(C)c1ccccc1F 7a_100000210253_200000741388 [1,1,0,0,0,0|1,0,1]=4 6915 B15R1.3965 CCCCCOC(C)c1ccccc1F 7a_100000697922_100000210326 [1,1,0,0,0,0|1,0,1]=4 6916 B15R1.3965 CCCCCOC(C)c1ccccc1N 7a_100011405641_100000210326 [1,1,0,0,0,0|1,0,1]=4 6917 B15R1.3965 CCCCNCC(=O)c1ccccc1C 2230a_100000102301_100000741374 [1,1,0,0,0,0|1,0,0]=3 6918 B15R1.3965 CCCCNCC(=O)c1ccccc1C 7a_106832991798_100000741374 [1,1,0,0,0,0|1,0,0]=3 6919 B15R1.3965 CCCCNCC(=O)c1ccccc1F 7a_106832991798_100000204681 [1,1,0,0,0,0|1,0,0]=3 6920 B15R1.3965 CCCCNCC(=O)c1ccccc1O 7a_106832991798_100000188908 [1,1,0,0,0,0|1,0,0]=3 6921 B15R1.3965 CCCCNNC(=O)c1ccccc1Br 22a_100025702795_100000188424 [1,1,0,0,0,0|2,0,0]=4 6922 B15R1.3965 CCCCNNC(=O)c1ccccc1C 22a_100025702795_100000212026 [1,1,0,0,0,0|2,0,0]=4 6923 B15R1.3965 CCCCNNC(=O)c1ccccc1Cl 22a_100025702795_100000185844 [1,1,0,0,0,0|2,0,0]=4 6924 B15R1.3965 CCCCNNC(=O)c1ccccc1F 22a_100025702795_100000188656 [1,1,0,0,0,0|2,0,0]=4 6925 B15R1.3965 CCCCNNC(=O)c1ccccc1I 22a_100025702795_100000187884 [1,1,0,0,0,0|2,0,0]=4 6926 B15R1.3965 CCCCNNC(=O)c1ccccc1O 22a_100025702795_100015234032 [1,1,0,0,0,0|2,0,0]=4 6927 B15R1.3965 CCCCNNC(=O)c1ccccc1[O-] 22a_100025702795_100009911694 [1,1,0,0,0,0|2,0,0]=4 6928 B15R1.3965 CCCCOCC(=O)c1ccccc1Br 1458a_100000188424_100011995733 [1,1,0,0,0,0|1,0,0]=3 6929 B15R1.3965 CCCCOCC(=O)c1ccccc1Br 34a_100000210227_100000199116 [1,1,0,0,0,0|1,0,0]=3 6930 B15R1.3965 CCCCOCC(=O)c1ccccc1C 1458a_100000212026_100011995733 [1,1,0,0,0,0|1,0,0]=3 6931 B15R1.3965 CCCCOCC(=O)c1ccccc1C 34a_100000210227_100000741374 [1,1,0,0,0,0|1,0,0]=3 6932 B15R1.3965 CCCCOCC(=O)c1ccccc1C 7a_100000210227_100000741374 [1,1,0,0,0,0|1,0,0]=3 6933 B15R1.3965 CCCCOCC(=O)c1ccccc1Cl 1458a_100000185844_100011995733 [1,1,0,0,0,0|1,0,0]=3 6934 B15R1.3965 CCCCOCC(=O)c1ccccc1Cl 34a_100000210227_100000211432 [1,1,0,0,0,0|1,0,0]=3 6935 B15R1.3965 CCCCOCC(=O)c1ccccc1F 1458a_100000188656_100011995733 [1,1,0,0,0,0|1,0,0]=3 6936 B15R1.3965 CCCCOCC(=O)c1ccccc1F 34a_100000210227_100000204681 [1,1,0,0,0,0|1,0,0]=3 6937 B15R1.3965 CCCCOCC(=O)c1ccccc1F 7a_100000210227_100000204681 [1,1,0,0,0,0|1,0,0]=3 6938 B15R1.3965 CCCCOCC(=O)c1ccccc1I 1458a_100000187884_100011995733 [1,1,0,0,0,0|1,0,0]=3 6939 B15R1.3965 CCCCOCC(=O)c1ccccc1O 1458a_100015234032_100011995733 [1,1,0,0,0,0|1,0,0]=3 6940 B15R1.3965 CCCCOCC(=O)c1ccccc1O 7a_100000210227_100000188908 [1,1,0,0,0,0|1,0,0]=3 6941 B15R1.3965 CCCCOCC(=O)c1ccccc1[O-] 1458a_100009911694_100011995733 [1,1,0,0,0,0|1,0,0]=3 6942 B15R1.3965 CCCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210210 [1,1,0,0,0,0|1,0,0]=3 6943 B15R1.3965 CCCCSCC(=O)c1ccccc1C 62a_100000210211_100000741374 [1,1,0,0,0,0|1,0,0]=3 6944 B15R1.3965 CCCCSCC(=O)c1ccccc1C 62a_100000741374_100000210210 [1,1,0,0,0,0|1,0,0]=3 6945 B15R1.3965 CCCCSCC(=O)c1ccccc1Cl 62a_100000210211_100000211432 [1,1,0,0,0,0|1,0,0]=3 6946 B15R1.3965 CCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210210 [1,1,0,0,0,0|1,0,0]=3 6947 B15R1.3965 CCCCSCC(=O)c1ccccc1F 62a_100000204681_100000210210 [1,1,0,0,0,0|1,0,0]=3 6948 B15R1.3965 CCCCSCC(=O)c1ccccc1F 62a_100000210211_100000204681 [1,1,0,0,0,0|1,0,0]=3 6949 B15R1.3965 CCCCSCC(=O)c1ccccc1O 62a_100000188908_100000210210 [1,1,0,0,0,0|1,0,0]=3 6950 B15R1.3965 CCCCSCC(=O)c1ccccc1O 62a_100000210211_100000188908 [1,1,0,0,0,0|1,0,0]=3 6951 B15R1.3965 CCCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011215938 [1,1,0,0,0,0|1,0,0]=3 6952 B15R1.3965 CCCOCCC(=O)c1ccccc1C 1458a_100000212026_100011215938 [1,1,0,0,0,0|1,0,0]=3 6953 B15R1.3965 CCCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215938 [1,1,0,0,0,0|1,0,0]=3 6954 B15R1.3965 CCCOCCC(=O)c1ccccc1F 1458a_100000188656_100011215938 [1,1,0,0,0,0|1,0,0]=3 6955 B15R1.3965 CCCOCCC(=O)c1ccccc1I 1458a_100000187884_100011215938 [1,1,0,0,0,0|1,0,0]=3 6956 B15R1.3965 CCCOCCC(=O)c1ccccc1O 1458a_100015234032_100011215938 [1,1,0,0,0,0|1,0,0]=3 6957 B15R1.3965 CCCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215938 [1,1,0,0,0,0|1,0,0]=3 6958 B15R1.3965 CCCSCCC(=O)c1ccccc1F 62a_100000086012_100000210303 [1,1,0,0,0,0|1,0,0]=3 6959 B15R1.3965 CCCSCCC(=O)c1ccccc1F 62a_100000210303_100000086012 [1,1,0,0,0,0|1,0,0]=3 6960 B15R1.3965 CCCSCCC(=O)c1ccccc1O 62a_100000210303_100009873196 [1,1,0,0,0,0|1,0,0]=3 6961 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210202 [1,1,0,0,0,0|2,0,0]=4 6962 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210202 [1,1,0,0,0,0|2,0,0]=4 6963 B15R1.3965 CCOCCCC(=O)c1ccccc1Br 1458a_100000188424_100012232248 [1,1,0,0,0,0|1,0,0]=3 6964 B15R1.3965 CCOCCCC(=O)c1ccccc1C 1458a_100000212026_100012232248 [1,1,0,0,0,0|1,0,0]=3 6965 B15R1.3965 CCOCCCC(=O)c1ccccc1Cl 1458a_100000185844_100012232248 [1,1,0,0,0,0|1,0,0]=3 6966 B15R1.3965 CCOCCCC(=O)c1ccccc1F 1458a_100000188656_100012232248 [1,1,0,0,0,0|1,0,0]=3 6967 B15R1.3965 CCOCCCC(=O)c1ccccc1I 1458a_100000187884_100012232248 [1,1,0,0,0,0|1,0,0]=3 6968 B15R1.3965 CCOCCCC(=O)c1ccccc1O 1458a_100015234032_100012232248 [1,1,0,0,0,0|1,0,0]=3 6969 B15R1.3965 CCOCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100012232248 [1,1,0,0,0,0|1,0,0]=3 6970 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 11a_100011200944_100000188424 [1,1,0,0,0,0|2,0,0]=4 6971 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 1626a_102516460346_100000188424 [1,1,0,0,0,0|2,0,0]=4 6972 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 240690a_100011200944_100000188424 [1,1,0,0,0,0|2,0,0]=4 6973 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 34a_200000158863_100000210202 [1,1,0,0,0,0|2,0,0]=4 6974 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 527a_100011200944_100000188424 [1,1,0,0,0,0|2,0,0]=4 6975 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 7a_200000158863_100000210202 [1,1,0,0,0,0|2,0,0]=4 6976 B15R1.3965 CCOCCNC(=O)c1ccccc1C 11a_100011200944_100000212026 [1,1,0,0,0,0|2,0,0]=4 6977 B15R1.3965 CCOCCNC(=O)c1ccccc1C 1626a_102516460346_100000212026 [1,1,0,0,0,0|2,0,0]=4 6978 B15R1.3965 CCOCCNC(=O)c1ccccc1C 240690a_100011200944_100000212026 [1,1,0,0,0,0|2,0,0]=4 6979 B15R1.3965 CCOCCNC(=O)c1ccccc1C 527a_100011200944_100000212026 [1,1,0,0,0,0|2,0,0]=4 6980 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 11a_100011200944_100000185844 [1,1,0,0,0,0|2,0,0]=4 6981 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 1626a_102516460346_100000185844 [1,1,0,0,0,0|2,0,0]=4 6982 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 240690a_100011200944_100000185844 [1,1,0,0,0,0|2,0,0]=4 6983 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 527a_100011200944_100000185844 [1,1,0,0,0,0|2,0,0]=4 6984 B15R1.3965 CCOCCNC(=O)c1ccccc1F 11a_100011200944_100000188656 [1,1,0,0,0,0|2,0,0]=4 6985 B15R1.3965 CCOCCNC(=O)c1ccccc1F 1626a_102516460346_100000188656 [1,1,0,0,0,0|2,0,0]=4 6986 B15R1.3965 CCOCCNC(=O)c1ccccc1F 240690a_100011200944_100000188656 [1,1,0,0,0,0|2,0,0]=4 6987 B15R1.3965 CCOCCNC(=O)c1ccccc1F 527a_100011200944_100000188656 [1,1,0,0,0,0|2,0,0]=4 6988 B15R1.3965 CCOCCNC(=O)c1ccccc1I 11a_100011200944_100000187884 [1,1,0,0,0,0|2,0,0]=4 6989 B15R1.3965 CCOCCNC(=O)c1ccccc1I 1626a_102516460346_100000187884 [1,1,0,0,0,0|2,0,0]=4 6990 B15R1.3965 CCOCCNC(=O)c1ccccc1I 240690a_100011200944_100000187884 [1,1,0,0,0,0|2,0,0]=4 6991 B15R1.3965 CCOCCNC(=O)c1ccccc1I 527a_100011200944_100000187884 [1,1,0,0,0,0|2,0,0]=4 6992 B15R1.3965 CCOCCNC(=O)c1ccccc1O 240690a_100011200944_100015234032 [1,1,0,0,0,0|2,0,0]=4 6993 B15R1.3965 CCOCCNC(=O)c1ccccc1[O-] 1626a_102516460346_100009911694 [1,1,0,0,0,0|2,0,0]=4 6994 B15R1.3965 CCOCCNC(=O)c1ccccc1[O-] 240690a_100011200944_100009911694 [1,1,0,0,0,0|2,0,0]=4 6995 B15R1.3965 CCOCCNC(=O)c1ccccc1[O-] 527a_100011200944_100009911694 [1,1,0,0,0,0|2,0,0]=4 6996 B15R1.3965 CCOCSCC(=O)c1ccccc1Br 62a_100000199116_100000739092 [1,1,0,0,0,0|2,0,0]=4 6997 B15R1.3965 CCOCSCC(=O)c1ccccc1C 62a_100000739092_100000741374 [1,1,0,0,0,0|2,0,0]=4 6998 B15R1.3965 CCOCSCC(=O)c1ccccc1C 62a_100000741374_100000739092 [1,1,0,0,0,0|2,0,0]=4 6999 B15R1.3965 CCOCSCC(=O)c1ccccc1Cl 62a_100000211432_100000739092 [1,1,0,0,0,0|2,0,0]=4 7000 B15R1.3965 CCOCSCC(=O)c1ccccc1Cl 62a_100000739092_100000211432 [1,1,0,0,0,0|2,0,0]=4 7001 B15R1.3965 CCOCSCC(=O)c1ccccc1F 62a_100000204681_100000739092 [1,1,0,0,0,0|2,0,0]=4 7002 B15R1.3965 CCOCSCC(=O)c1ccccc1F 62a_100000739092_100000204681 [1,1,0,0,0,0|2,0,0]=4 7003 B15R1.3965 CCOCSCC(=O)c1ccccc1O 62a_100000188908_100000739092 [1,1,0,0,0,0|2,0,0]=4 7004 B15R1.3965 CCOCSCC(=O)c1ccccc1O 62a_100000739092_100000188908 [1,1,0,0,0,0|2,0,0]=4 7005 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 11a_100000106463_100000188424 [1,1,0,0,0,0|2,0,0]=4 7006 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 1626a_100000106463_100000188424 [1,1,0,0,0,0|2,0,0]=4 7007 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 240690a_100000106463_100000188424 [1,1,0,0,0,0|2,0,0]=4 7008 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 527a_100000106463_100000188424 [1,1,0,0,0,0|2,0,0]=4 7009 B15R1.3965 CCSCCNC(=O)c1ccccc1C 11a_100000106463_100000212026 [1,1,0,0,0,0|2,0,0]=4 7010 B15R1.3965 CCSCCNC(=O)c1ccccc1C 1626a_100000106463_100000212026 [1,1,0,0,0,0|2,0,0]=4 7011 B15R1.3965 CCSCCNC(=O)c1ccccc1C 240690a_100000106463_100000212026 [1,1,0,0,0,0|2,0,0]=4 7012 B15R1.3965 CCSCCNC(=O)c1ccccc1C 527a_100000106463_100000212026 [1,1,0,0,0,0|2,0,0]=4 7013 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 11a_100000106463_100000185844 [1,1,0,0,0,0|2,0,0]=4 7014 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 1626a_100000106463_100000185844 [1,1,0,0,0,0|2,0,0]=4 7015 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 240690a_100000106463_100000185844 [1,1,0,0,0,0|2,0,0]=4 7016 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 527a_100000106463_100000185844 [1,1,0,0,0,0|2,0,0]=4 7017 B15R1.3965 CCSCCNC(=O)c1ccccc1F 11a_100000106463_100000188656 [1,1,0,0,0,0|2,0,0]=4 7018 B15R1.3965 CCSCCNC(=O)c1ccccc1F 1626a_100000106463_100000188656 [1,1,0,0,0,0|2,0,0]=4 7019 B15R1.3965 CCSCCNC(=O)c1ccccc1F 240690a_100000106463_100000188656 [1,1,0,0,0,0|2,0,0]=4 7020 B15R1.3965 CCSCCNC(=O)c1ccccc1F 527a_100000106463_100000188656 [1,1,0,0,0,0|2,0,0]=4 7021 B15R1.3965 CCSCCNC(=O)c1ccccc1I 11a_100000106463_100000187884 [1,1,0,0,0,0|2,0,0]=4 7022 B15R1.3965 CCSCCNC(=O)c1ccccc1I 1626a_100000106463_100000187884 [1,1,0,0,0,0|2,0,0]=4 7023 B15R1.3965 CCSCCNC(=O)c1ccccc1I 240690a_100000106463_100000187884 [1,1,0,0,0,0|2,0,0]=4 7024 B15R1.3965 CCSCCNC(=O)c1ccccc1I 527a_100000106463_100000187884 [1,1,0,0,0,0|2,0,0]=4 7025 B15R1.3965 CCSCCNC(=O)c1ccccc1O 240690a_100000106463_100015234032 [1,1,0,0,0,0|2,0,0]=4 7026 B15R1.3965 CCSCCNC(=O)c1ccccc1[O-] 1626a_100000106463_100009911694 [1,1,0,0,0,0|2,0,0]=4 7027 B15R1.3965 CCSCCNC(=O)c1ccccc1[O-] 240690a_100000106463_100009911694 [1,1,0,0,0,0|2,0,0]=4 7028 B15R1.3965 CCSCCNC(=O)c1ccccc1[O-] 527a_100000106463_100009911694 [1,1,0,0,0,0|2,0,0]=4 7029 B15R1.3965 COCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000755781 [1,1,0,0,0,0|1,0,0]=3 7030 B15R1.3965 COCCCCC(=O)c1ccccc1C 1458a_100000212026_100000755781 [1,1,0,0,0,0|1,0,0]=3 7031 B15R1.3965 COCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000755781 [1,1,0,0,0,0|1,0,0]=3 7032 B15R1.3965 COCCCCC(=O)c1ccccc1F 1458a_100000188656_100000755781 [1,1,0,0,0,0|1,0,0]=3 7033 B15R1.3965 COCCCCC(=O)c1ccccc1I 1458a_100000187884_100000755781 [1,1,0,0,0,0|1,0,0]=3 7034 B15R1.3965 COCCCCC(=O)c1ccccc1O 1458a_100015234032_100000755781 [1,1,0,0,0,0|1,0,0]=3 7035 B15R1.3965 COCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000755781 [1,1,0,0,0,0|1,0,0]=3 7036 B15R1.3965 COCCCNC(=O)c1ccccc1Br 1626a_100150723488_100000188424 [1,1,0,0,0,0|2,0,0]=4 7037 B15R1.3965 COCCCNC(=O)c1ccccc1Br 240690a_100150723488_100000188424 [1,1,0,0,0,0|2,0,0]=4 7038 B15R1.3965 COCCCNC(=O)c1ccccc1Br 527a_100150723488_100000188424 [1,1,0,0,0,0|2,0,0]=4 7039 B15R1.3965 COCCCNC(=O)c1ccccc1C 1626a_100150723488_100000212026 [1,1,0,0,0,0|2,0,0]=4 7040 B15R1.3965 COCCCNC(=O)c1ccccc1C 240690a_100150723488_100000212026 [1,1,0,0,0,0|2,0,0]=4 7041 B15R1.3965 COCCCNC(=O)c1ccccc1C 527a_100150723488_100000212026 [1,1,0,0,0,0|2,0,0]=4 7042 B15R1.3965 COCCCNC(=O)c1ccccc1Cl 1626a_100150723488_100000185844 [1,1,0,0,0,0|2,0,0]=4 7043 B15R1.3965 COCCCNC(=O)c1ccccc1Cl 240690a_100150723488_100000185844 [1,1,0,0,0,0|2,0,0]=4 7044 B15R1.3965 COCCCNC(=O)c1ccccc1Cl 527a_100150723488_100000185844 [1,1,0,0,0,0|2,0,0]=4 7045 B15R1.3965 COCCCNC(=O)c1ccccc1F 1626a_100150723488_100000188656 [1,1,0,0,0,0|2,0,0]=4 7046 B15R1.3965 COCCCNC(=O)c1ccccc1F 240690a_100150723488_100000188656 [1,1,0,0,0,0|2,0,0]=4 7047 B15R1.3965 COCCCNC(=O)c1ccccc1F 527a_100150723488_100000188656 [1,1,0,0,0,0|2,0,0]=4 7048 B15R1.3965 COCCCNC(=O)c1ccccc1I 1626a_100150723488_100000187884 [1,1,0,0,0,0|2,0,0]=4 7049 B15R1.3965 COCCCNC(=O)c1ccccc1I 240690a_100150723488_100000187884 [1,1,0,0,0,0|2,0,0]=4 7050 B15R1.3965 COCCCNC(=O)c1ccccc1I 527a_100150723488_100000187884 [1,1,0,0,0,0|2,0,0]=4 7051 B15R1.3965 COCCCNC(=O)c1ccccc1N 34a_200011191992_200000210301 [1,1,0,0,0,0|2,0,0]=4 7052 B15R1.3965 COCCCNC(=O)c1ccccc1O 240690a_100150723488_100015234032 [1,1,0,0,0,0|2,0,0]=4 7053 B15R1.3965 COCCCNC(=O)c1ccccc1[O-] 1626a_100150723488_100009911694 [1,1,0,0,0,0|2,0,0]=4 7054 B15R1.3965 COCCCNC(=O)c1ccccc1[O-] 240690a_100150723488_100009911694 [1,1,0,0,0,0|2,0,0]=4 7055 B15R1.3965 COCCCNC(=O)c1ccccc1[O-] 527a_100150723488_100009911694 [1,1,0,0,0,0|2,0,0]=4 7056 B15R1.3965 COCCNCC(=O)c1ccccc1C 2230a_100000209980_100000741374 [1,1,0,0,0,0|2,0,0]=4 7057 B15R1.3965 COCCOCC(=O)c1ccccc1Br 34a_100000210237_100000199116 [1,1,0,0,0,0|2,0,0]=4 7058 B15R1.3965 COCCOCC(=O)c1ccccc1C 34a_100000210237_100000741374 [1,1,0,0,0,0|2,0,0]=4 7059 B15R1.3965 COCCOCC(=O)c1ccccc1Cl 34a_100000210237_100000211432 [1,1,0,0,0,0|2,0,0]=4 7060 B15R1.3965 COCCOCC(=O)c1ccccc1F 34a_100000210237_100000204681 [1,1,0,0,0,0|2,0,0]=4 7061 B15R1.3965 COCCSCC(=O)c1ccccc1Br 62a_100000199116_100000233755 [1,1,0,0,0,0|2,0,0]=4 7062 B15R1.3965 COCCSCC(=O)c1ccccc1C 62a_100000233755_100000741374 [1,1,0,0,0,0|2,0,0]=4 7063 B15R1.3965 COCCSCC(=O)c1ccccc1C 62a_100000741374_100000233755 [1,1,0,0,0,0|2,0,0]=4 7064 B15R1.3965 COCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000233755 [1,1,0,0,0,0|2,0,0]=4 7065 B15R1.3965 COCCSCC(=O)c1ccccc1Cl 62a_100000233755_100000211432 [1,1,0,0,0,0|2,0,0]=4 7066 B15R1.3965 COCCSCC(=O)c1ccccc1F 62a_100000204681_100000233755 [1,1,0,0,0,0|2,0,0]=4 7067 B15R1.3965 COCCSCC(=O)c1ccccc1F 62a_100000233755_100000204681 [1,1,0,0,0,0|2,0,0]=4 7068 B15R1.3965 COCCSCC(=O)c1ccccc1O 62a_100000188908_100000233755 [1,1,0,0,0,0|2,0,0]=4 7069 B15R1.3965 COCCSCC(=O)c1ccccc1O 62a_100000233755_100000188908 [1,1,0,0,0,0|2,0,0]=4 7070 B15R1.3965 COCSCCC(=O)c1ccccc1F 62a_100000086012_100000766300 [1,1,0,0,0,0|2,0,0]=4 7071 B15R1.3965 COCSCCC(=O)c1ccccc1F 62a_100000766300_100000086012 [1,1,0,0,0,0|2,0,0]=4 7072 B15R1.3965 COCSCCC(=O)c1ccccc1O 62a_100000766300_100009873196 [1,1,0,0,0,0|2,0,0]=4 7073 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 11a_100000749238_100000188424 [1,1,0,0,0,0|2,0,0]=4 7074 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 1626a_100000749238_100000188424 [1,1,0,0,0,0|2,0,0]=4 7075 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 240690a_100000749238_100000188424 [1,1,0,0,0,0|2,0,0]=4 7076 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 527a_100000749238_100000188424 [1,1,0,0,0,0|2,0,0]=4 7077 B15R1.3965 CSCCCNC(=O)c1ccccc1C 11a_100000749238_100000212026 [1,1,0,0,0,0|2,0,0]=4 7078 B15R1.3965 CSCCCNC(=O)c1ccccc1C 1626a_100000749238_100000212026 [1,1,0,0,0,0|2,0,0]=4 7079 B15R1.3965 CSCCCNC(=O)c1ccccc1C 240690a_100000749238_100000212026 [1,1,0,0,0,0|2,0,0]=4 7080 B15R1.3965 CSCCCNC(=O)c1ccccc1C 527a_100000749238_100000212026 [1,1,0,0,0,0|2,0,0]=4 7081 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 11a_100000749238_100000185844 [1,1,0,0,0,0|2,0,0]=4 7082 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 1626a_100000749238_100000185844 [1,1,0,0,0,0|2,0,0]=4 7083 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 240690a_100000749238_100000185844 [1,1,0,0,0,0|2,0,0]=4 7084 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 527a_100000749238_100000185844 [1,1,0,0,0,0|2,0,0]=4 7085 B15R1.3965 CSCCCNC(=O)c1ccccc1F 11a_100000749238_100000188656 [1,1,0,0,0,0|2,0,0]=4 7086 B15R1.3965 CSCCCNC(=O)c1ccccc1F 1626a_100000749238_100000188656 [1,1,0,0,0,0|2,0,0]=4 7087 B15R1.3965 CSCCCNC(=O)c1ccccc1F 240690a_100000749238_100000188656 [1,1,0,0,0,0|2,0,0]=4 7088 B15R1.3965 CSCCCNC(=O)c1ccccc1F 527a_100000749238_100000188656 [1,1,0,0,0,0|2,0,0]=4 7089 B15R1.3965 CSCCCNC(=O)c1ccccc1I 11a_100000749238_100000187884 [1,1,0,0,0,0|2,0,0]=4 7090 B15R1.3965 CSCCCNC(=O)c1ccccc1I 1626a_100000749238_100000187884 [1,1,0,0,0,0|2,0,0]=4 7091 B15R1.3965 CSCCCNC(=O)c1ccccc1I 240690a_100000749238_100000187884 [1,1,0,0,0,0|2,0,0]=4 7092 B15R1.3965 CSCCCNC(=O)c1ccccc1I 527a_100000749238_100000187884 [1,1,0,0,0,0|2,0,0]=4 7093 B15R1.3965 CSCCCNC(=O)c1ccccc1O 240690a_100000749238_100015234032 [1,1,0,0,0,0|2,0,0]=4 7094 B15R1.3965 CSCCCNC(=O)c1ccccc1[O-] 1626a_100000749238_100009911694 [1,1,0,0,0,0|2,0,0]=4 7095 B15R1.3965 CSCCCNC(=O)c1ccccc1[O-] 240690a_100000749238_100009911694 [1,1,0,0,0,0|2,0,0]=4 7096 B15R1.3965 CSCCCNC(=O)c1ccccc1[O-] 527a_100000749238_100009911694 [1,1,0,0,0,0|2,0,0]=4 7097 B15R1.3965 CSCCNCC(=O)c1ccccc1C 2230a_100020590264_100000741374 [1,1,0,0,0,0|2,0,0]=4 7098 B15R1.3965 CSCCOCC(=O)c1ccccc1Br 34a_100000230434_100000199116 [1,1,0,0,0,0|2,0,0]=4 7099 B15R1.3965 CSCCOCC(=O)c1ccccc1C 34a_100000230434_100000741374 [1,1,0,0,0,0|2,0,0]=4 7100 B15R1.3965 CSCCOCC(=O)c1ccccc1C 7a_100000230434_100000741374 [1,1,0,0,0,0|2,0,0]=4 7101 B15R1.3965 CSCCOCC(=O)c1ccccc1Cl 34a_100000230434_100000211432 [1,1,0,0,0,0|2,0,0]=4 7102 B15R1.3965 CSCCOCC(=O)c1ccccc1F 34a_100000230434_100000204681 [1,1,0,0,0,0|2,0,0]=4 7103 B15R1.3965 CSCCOCC(=O)c1ccccc1F 7a_100000230434_100000204681 [1,1,0,0,0,0|2,0,0]=4 7104 B15R1.3965 CSCCOCC(=O)c1ccccc1O 7a_100000230434_100000188908 [1,1,0,0,0,0|2,0,0]=4 7105 B15R1.3965 CSCCSCC(=O)c1ccccc1Br 62a_100000199116_100000751147 [1,1,0,0,0,0|2,0,0]=4 7106 B15R1.3965 CSCCSCC(=O)c1ccccc1C 62a_100000212216_100000741374 [1,1,0,0,0,0|2,0,0]=4 7107 B15R1.3965 CSCCSCC(=O)c1ccccc1C 62a_100000741374_100000751147 [1,1,0,0,0,0|2,0,0]=4 7108 B15R1.3965 CSCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000751147 [1,1,0,0,0,0|2,0,0]=4 7109 B15R1.3965 CSCCSCC(=O)c1ccccc1Cl 62a_100000212216_100000211432 [1,1,0,0,0,0|2,0,0]=4 7110 B15R1.3965 CSCCSCC(=O)c1ccccc1F 62a_100000204681_100000751147 [1,1,0,0,0,0|2,0,0]=4 7111 B15R1.3965 CSCCSCC(=O)c1ccccc1F 62a_100000212216_100000204681 [1,1,0,0,0,0|2,0,0]=4 7112 B15R1.3965 CSCCSCC(=O)c1ccccc1O 62a_100000188908_100000751147 [1,1,0,0,0,0|2,0,0]=4 7113 B15R1.3965 CSCCSCC(=O)c1ccccc1O 62a_100000212216_100000188908 [1,1,0,0,0,0|2,0,0]=4 7114 B15R1.3965 CSCSCCC(=O)c1ccccc1F 62a_100000086012_100011218213 [1,1,0,0,0,0|2,0,0]=4 7115 B15R1.3965 CSCSCCC(=O)c1ccccc1F 62a_100011218213_100000086012 [1,1,0,0,0,0|2,0,0]=4 7116 B15R1.3965 CSCSCCC(=O)c1ccccc1O 62a_100011218213_100009873196 [1,1,0,0,0,0|2,0,0]=4 7117 B15R1.3965 Cc1ccccc1C(=O)CCCCC#N 1458a_100000212026_100000211819 [1,1,0,0,0,0|1,0,1]=4 7118 B15R1.3965 Cc1ccccc1C(=O)CCCCCF 1458a_100000212026_100000729378 [1,1,0,0,0,0|1,0,0]=3 7119 B15R1.3965 Cc1ccccc1C(=O)CCCCCO 1458a_100000212026_100000746330 [1,1,0,0,0,0|1,0,0]=3 7120 B15R1.3965 Cc1ccccc1C(=O)CCOCCO 1458a_100000212026_100011215305 [1,1,0,0,0,0|2,0,0]=4 7121 B15R1.3965 Cc1ccccc1C(=O)CNCCCF 2230a_100015189416_100000741374 [1,1,0,0,0,0|2,0,0]=4 7122 B15R1.3965 Cc1ccccc1C(=O)CNCCCF 34a_100015189416_100000741374 [1,1,0,0,0,0|2,0,0]=4 7123 B15R1.3965 Cc1ccccc1C(=O)COCCCBr 34a_100011217188_100000741374 [1,1,0,0,0,0|2,0,0]=4 7124 B15R1.3965 Cc1ccccc1C(=O)COCCCCl 34a_100000230001_100000741374 [1,1,0,0,0,0|2,0,0]=4 7125 B15R1.3965 Cc1ccccc1C(=O)COCCCF 34a_100000759539_100000741374 [1,1,0,0,0,0|2,0,0]=4 7126 B15R1.3965 Cc1ccccc1C(=O)COCCCN 34a_100000182051_100000741374 [1,1,0,0,0,0|2,0,0]=4 7127 B15R1.3965 Cc1ccccc1C(=O)CSCCCF 62a_100000741374_100011934791 [1,1,0,0,0,0|2,0,0]=4 7128 B15R1.3965 Cc1ccccc1C(=O)CSCCCF 62a_100011934791_100000741374 [1,1,0,0,0,0|2,0,0]=4 7129 B15R1.3965 Cc1ccccc1C(=O)CSCCCO 62a_100000741374_100011215043 [1,1,0,0,0,0|2,0,0]=4 7130 B15R1.3965 Cc1ccccc1C(=O)CSCCCO 62a_100011215043_100000741374 [1,1,0,0,0,0|2,0,0]=4 7131 B15R1.3965 Cc1ccccc1C(=O)NCCCCO 240690a_100000750430_100000212026 [1,1,0,0,0,0|2,0,0]=4 7132 B15R1.3965 Cc1ccccc1C(=O)NCCCCO 527a_100000750430_100000212026 [1,1,0,0,0,0|2,0,0]=4 7133 B15R1.3965 N#CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000211819 [1,1,0,0,0,0|1,0,1]=4 7134 B15R1.3965 N#CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000211819 [1,1,0,0,0,0|1,0,1]=4 7135 B15R1.3965 N#CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000211819 [1,1,0,0,0,0|1,0,1]=4 7136 B15R1.3965 N#CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000211819 [1,1,0,0,0,0|1,0,1]=4 7137 B15R1.3965 N#CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000211819 [1,1,0,0,0,0|1,0,1]=4 7138 B15R1.3965 N#CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000211819 [1,1,0,0,0,0|1,0,1]=4 7139 B15R1.3965 NCCCOCC(=O)c1ccccc1Br 34a_100000182051_100000199116 [1,1,0,0,0,0|2,0,0]=4 7140 B15R1.3965 NCCCOCC(=O)c1ccccc1Cl 34a_100000182051_100000211432 [1,1,0,0,0,0|2,0,0]=4 7141 B15R1.3965 NCCCOCC(=O)c1ccccc1F 34a_100000182051_100000204681 [1,1,0,0,0,0|2,0,0]=4 7142 B15R1.3965 O=C(CCCCCF)c1ccccc1Br 1458a_100000188424_100000729378 [1,1,0,0,0,0|1,0,0]=3 7143 B15R1.3965 O=C(CCCCCF)c1ccccc1Cl 1458a_100000185844_100000729378 [1,1,0,0,0,0|1,0,0]=3 7144 B15R1.3965 O=C(CCCCCF)c1ccccc1F 1458a_100000188656_100000729378 [1,1,0,0,0,0|1,0,0]=3 7145 B15R1.3965 O=C(CCCCCF)c1ccccc1I 1458a_100000187884_100000729378 [1,1,0,0,0,0|1,0,0]=3 7146 B15R1.3965 O=C(CCCCCF)c1ccccc1O 1458a_100015234032_100000729378 [1,1,0,0,0,0|1,0,0]=3 7147 B15R1.3965 O=C(CCCCCF)c1ccccc1[O-] 1458a_100009911694_100000729378 [1,1,0,0,0,0|1,0,0]=3 7148 B15R1.3965 O=C(CCCCCO)c1ccccc1Br 1458a_100000188424_100000746330 [1,1,0,0,0,0|1,0,0]=3 7149 B15R1.3965 O=C(CCCCCO)c1ccccc1Cl 1458a_100000185844_100000746330 [1,1,0,0,0,0|1,0,0]=3 7150 B15R1.3965 O=C(CCCCCO)c1ccccc1F 1458a_100000188656_100000746330 [1,1,0,0,0,0|1,0,0]=3 7151 B15R1.3965 O=C(CCCCCO)c1ccccc1I 1458a_100000187884_100000746330 [1,1,0,0,0,0|1,0,0]=3 7152 B15R1.3965 O=C(CCCCCO)c1ccccc1O 1458a_100015234032_100000746330 [1,1,0,0,0,0|1,0,0]=3 7153 B15R1.3965 O=C(CCCCCO)c1ccccc1[O-] 1458a_100009911694_100000746330 [1,1,0,0,0,0|1,0,0]=3 7154 B15R1.3965 O=C(CCNCCO)c1ccccc1F 2230a_100016997473_100000086012 [1,1,0,0,0,0|2,0,0]=4 7155 B15R1.3965 O=C(CCOCCO)c1ccccc1Br 1458a_100000188424_100011215305 [1,1,0,0,0,0|2,0,0]=4 7156 B15R1.3965 O=C(CCOCCO)c1ccccc1Cl 1458a_100000185844_100011215305 [1,1,0,0,0,0|2,0,0]=4 7157 B15R1.3965 O=C(CCOCCO)c1ccccc1F 1458a_100000188656_100011215305 [1,1,0,0,0,0|2,0,0]=4 7158 B15R1.3965 O=C(CCOCCO)c1ccccc1I 1458a_100000187884_100011215305 [1,1,0,0,0,0|2,0,0]=4 7159 B15R1.3965 O=C(CCOCCO)c1ccccc1O 1458a_100015234032_100011215305 [1,1,0,0,0,0|2,0,0]=4 7160 B15R1.3965 O=C(CCOCCO)c1ccccc1[O-] 1458a_100009911694_100011215305 [1,1,0,0,0,0|2,0,0]=4 7161 B15R1.3965 O=C(CCSCCF)c1ccccc1F 62a_100000086012_100011217306 [1,1,0,0,0,0|2,0,0]=4 7162 B15R1.3965 O=C(CCSCCF)c1ccccc1F 62a_100011217306_100000086012 [1,1,0,0,0,0|2,0,0]=4 7163 B15R1.3965 O=C(CCSCCF)c1ccccc1O 62a_100011217306_100009873196 [1,1,0,0,0,0|2,0,0]=4 7164 B15R1.3965 O=C(CCSCCO)c1ccccc1F 62a_100000086012_100000211926 [1,1,0,0,0,0|2,0,0]=4 7165 B15R1.3965 O=C(CCSCCO)c1ccccc1F 62a_100000211926_100000086012 [1,1,0,0,0,0|2,0,0]=4 7166 B15R1.3965 O=C(CCSCCO)c1ccccc1O 62a_100000211926_100009873196 [1,1,0,0,0,0|2,0,0]=4 7167 B15R1.3965 O=C(CNCCCF)c1ccccc1Br 34a_100015189416_100000199116 [1,1,0,0,0,0|2,0,0]=4 7168 B15R1.3965 O=C(CNCCCF)c1ccccc1Cl 34a_100015189416_100000211432 [1,1,0,0,0,0|2,0,0]=4 7169 B15R1.3965 O=C(CNCCCF)c1ccccc1F 34a_100015189416_100000204681 [1,1,0,0,0,0|2,0,0]=4 7170 B15R1.3965 O=C(COCCCBr)c1ccccc1Br 34a_100011217188_100000199116 [1,1,0,0,0,0|2,0,0]=4 7171 B15R1.3965 O=C(COCCCBr)c1ccccc1Cl 34a_100011217188_100000211432 [1,1,0,0,0,0|2,0,0]=4 7172 B15R1.3965 O=C(COCCCBr)c1ccccc1F 34a_100011217188_100000204681 [1,1,0,0,0,0|2,0,0]=4 7173 B15R1.3965 O=C(COCCCCl)c1ccccc1Br 34a_100000230001_100000199116 [1,1,0,0,0,0|2,0,0]=4 7174 B15R1.3965 O=C(COCCCCl)c1ccccc1Cl 34a_100000230001_100000211432 [1,1,0,0,0,0|2,0,0]=4 7175 B15R1.3965 O=C(COCCCCl)c1ccccc1F 34a_100000230001_100000204681 [1,1,0,0,0,0|2,0,0]=4 7176 B15R1.3965 O=C(COCCCF)c1ccccc1Br 34a_100000759539_100000199116 [1,1,0,0,0,0|2,0,0]=4 7177 B15R1.3965 O=C(COCCCF)c1ccccc1Cl 34a_100000759539_100000211432 [1,1,0,0,0,0|2,0,0]=4 7178 B15R1.3965 O=C(COCCCF)c1ccccc1F 34a_100000759539_100000204681 [1,1,0,0,0,0|2,0,0]=4 7179 B15R1.3965 O=C(CSCCCF)c1ccccc1Br 62a_100000199116_100011934791 [1,1,0,0,0,0|2,0,0]=4 7180 B15R1.3965 O=C(CSCCCF)c1ccccc1Cl 62a_100000211432_100011934791 [1,1,0,0,0,0|2,0,0]=4 7181 B15R1.3965 O=C(CSCCCF)c1ccccc1Cl 62a_100011934791_100000211432 [1,1,0,0,0,0|2,0,0]=4 7182 B15R1.3965 O=C(CSCCCF)c1ccccc1F 62a_100000204681_100011934791 [1,1,0,0,0,0|2,0,0]=4 7183 B15R1.3965 O=C(CSCCCF)c1ccccc1F 62a_100011934791_100000204681 [1,1,0,0,0,0|2,0,0]=4 7184 B15R1.3965 O=C(CSCCCF)c1ccccc1O 62a_100000188908_100011934791 [1,1,0,0,0,0|2,0,0]=4 7185 B15R1.3965 O=C(CSCCCF)c1ccccc1O 62a_100011934791_100000188908 [1,1,0,0,0,0|2,0,0]=4 7186 B15R1.3965 O=C(CSCCCO)c1ccccc1Br 62a_100000199116_100011215043 [1,1,0,0,0,0|2,0,0]=4 7187 B15R1.3965 O=C(CSCCCO)c1ccccc1Cl 62a_100000211432_100011215043 [1,1,0,0,0,0|2,0,0]=4 7188 B15R1.3965 O=C(CSCCCO)c1ccccc1Cl 62a_100011215043_100000211432 [1,1,0,0,0,0|2,0,0]=4 7189 B15R1.3965 O=C(CSCCCO)c1ccccc1F 62a_100000204681_100011215043 [1,1,0,0,0,0|2,0,0]=4 7190 B15R1.3965 O=C(CSCCCO)c1ccccc1F 62a_100011215043_100000204681 [1,1,0,0,0,0|2,0,0]=4 7191 B15R1.3965 O=C(CSCCCO)c1ccccc1O 62a_100000188908_100011215043 [1,1,0,0,0,0|2,0,0]=4 7192 B15R1.3965 O=C(CSCCCO)c1ccccc1O 62a_100011215043_100000188908 [1,1,0,0,0,0|2,0,0]=4 7193 B15R1.3965 O=C(NCCCCO)c1ccccc1Br 240690a_100000750430_100000188424 [1,1,0,0,0,0|2,0,0]=4 7194 B15R1.3965 O=C(NCCCCO)c1ccccc1Br 527a_100000750430_100000188424 [1,1,0,0,0,0|2,0,0]=4 7195 B15R1.3965 O=C(NCCCCO)c1ccccc1Cl 240690a_100000750430_100000185844 [1,1,0,0,0,0|2,0,0]=4 7196 B15R1.3965 O=C(NCCCCO)c1ccccc1Cl 527a_100000750430_100000185844 [1,1,0,0,0,0|2,0,0]=4 7197 B15R1.3965 O=C(NCCCCO)c1ccccc1F 240690a_100000750430_100000188656 [1,1,0,0,0,0|2,0,0]=4 7198 B15R1.3965 O=C(NCCCCO)c1ccccc1F 527a_100000750430_100000188656 [1,1,0,0,0,0|2,0,0]=4 7199 B15R1.3965 O=C(NCCCCO)c1ccccc1I 240690a_100000750430_100000187884 [1,1,0,0,0,0|2,0,0]=4 7200 B15R1.3965 O=C(NCCCCO)c1ccccc1I 527a_100000750430_100000187884 [1,1,0,0,0,0|2,0,0]=4 7201 B15R1.3965 O=C(NCCCCO)c1ccccc1O 240690a_100000750430_100015234032 [1,1,0,0,0,0|2,0,0]=4 7202 B15R1.3965 O=C(NCCCCO)c1ccccc1[O-] 240690a_100000750430_100009911694 [1,1,0,0,0,0|2,0,0]=4 7203 B15R1.3965 O=C(NCCCCO)c1ccccc1[O-] 527a_100000750430_100009911694 [1,1,0,0,0,0|2,0,0]=4 7204 B15R1.3965 [13CH3]OCCCNC(=O)c1ccccc1N 34a_200011191992_200025704644 [1,1,0,0,0,0|2,0,0]=4 7205 B15R1.12 BrCCCCCOCc1ccc(cc1)Br 34a_100000746331_100000189115 [1,1,0,0,0,0|1,0,1]=4 7206 B15R1.12 BrCCCCCOCc1ccc(cc1)Br 7a_100000746331_100011217064 [1,1,0,0,0,0|1,0,1]=4 7207 B15R1.12 BrCCCCCOCc1ccc(cc1)I 34a_100000746331_100000189116 [1,1,0,0,0,0|1,0,1]=4 7208 B15R1.12 BrCCCCCOCc1ccc(cc1)I 7a_100000746331_100000189116 [1,1,0,0,0,0|1,0,1]=4 7209 B15R1.12 Brc1ccc(cc1)COCCCCCI 34a_200012148887_100000189115 [1,1,0,0,0,0|1,0,1]=4 7210 B15R1.12 Brc1ccc(cc1)COCCCCCI 7a_200012148887_100011217064 [1,1,0,0,0,0|1,0,1]=4 7211 B15R1.12 CCCCCCC=Cc1cc[n+](cc1)[O-] 271570a_200015348155_100000039755 [1,1,0,0,0,0|2,0,0]=4 7212 B15R1.12 CCCCCCC=Cc1ccc(=O)[nH]c1 271570a_200015348155_100000212171 [1,1,0,0,0,0|2,0,0]=4 7213 B15R1.12 CCCCCCC=Cc1ccc(cc1)Br 271570a_200015348155_100000752885 [1,1,0,0,0,0|1,0,0]=3 7214 B15R1.12 CCCCCCC=Cc1ccc(cc1)C 271570a_200015348155_100000186775 [1,1,0,0,0,0|1,0,0]=3 7215 B15R1.12 CCCCCCC=Cc1ccc(cc1)Cl 271570a_200015348155_100000755918 [1,1,0,0,0,0|1,0,0]=3 7216 B15R1.12 CCCCCCC=Cc1ccc(cc1)F 271570a_200015348155_100000211213 [1,1,0,0,0,0|1,0,0]=3 7217 B15R1.12 CCCCCCC=Cc1ccc(cc1)N 271570a_200015348155_100000185761 [1,1,0,0,0,0|1,0,0]=3 7218 B15R1.12 CCCCCCC=Cc1ccc(cc1)O 271570a_200015348155_100000185759 [1,1,0,0,0,0|1,0,0]=3 7219 B15R1.12 CCCCCCC=Cc1ccc(cn1)Br 271570a_200015348155_100000686858 [1,1,0,0,0,0|2,0,0]=4 7220 B15R1.12 CCCCCCC=Cc1ccc(cn1)C 271570a_200015348155_100000754016 [1,1,0,0,0,0|2,0,0]=4 7221 B15R1.12 CCCCCCC=Cc1ccc(cn1)Cl 271570a_200015348155_100011356976 [1,1,0,0,0,0|2,0,0]=4 7222 B15R1.12 CCCCCCC=Cc1ccc(cn1)F 271570a_200015348155_100000744514 [1,1,0,0,0,0|2,0,0]=4 7223 B15R1.12 CCCCCCC=Cc1ccc(cn1)N 271570a_200015348155_100000744251 [1,1,0,0,0,0|2,0,0]=4 7224 B15R1.12 CCCCCCC=Cc1ccc(cn1)O 271570a_200015348155_100000685995 [1,1,0,0,0,0|2,0,0]=4 7225 B15R1.12 CCCCCCC=Cc1ccc(nc1)Br 271570a_200015348155_100009814638 [1,1,0,0,0,0|2,0,0]=4 7226 B15R1.12 CCCCCCC=Cc1ccc(nc1)C 271570a_200015348155_100000751577 [1,1,0,0,0,0|2,0,0]=4 7227 B15R1.12 CCCCCCC=Cc1ccc(nc1)Cl 271570a_200015348155_100000034144 [1,1,0,0,0,0|2,0,0]=4 7228 B15R1.12 CCCCCCC=Cc1ccc(nc1)F 271570a_200015348155_100000748661 [1,1,0,0,0,0|2,0,0]=4 7229 B15R1.12 CCCCCCC=Cc1ccc(nc1)N 271570a_200015348155_100000187370 [1,1,0,0,0,0|2,0,0]=4 7230 B15R1.12 CCCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813488 [1,1,0,0,0,0|1,0,1]=4 7231 B15R1.12 CCCCCCCNc1ccc(cc1)Br 2230a_100000210018_100000210681 [1,1,0,0,0,0|2,0,0]=4 7232 B15R1.12 CCCCCCCNc1ccc(cc1)Br 34a_100000210018_100000210614 [1,1,0,0,0,0|2,0,0]=4 7233 B15R1.12 CCCCCCCNc1ccc(cc1)C 34a_100000124888_100000210614 [1,1,0,0,0,0|2,0,0]=4 7234 B15R1.12 CCCCCCCNc1ccc(cc1)Cl 2230a_100000210052_100000210681 [1,1,0,0,0,0|2,0,0]=4 7235 B15R1.12 CCCCCCCNc1ccc(cc1)Cl 34a_100000210052_100000210614 [1,1,0,0,0,0|2,0,0]=4 7236 B15R1.12 CCCCCCCNc1ccc(cc1)F 34a_100000185862_100000210614 [1,1,0,0,0,0|2,0,0]=4 7237 B15R1.12 CCCCCCCNc1ccc(cc1)I 34a_100000185761_100000210614 [1,1,0,0,0,0|2,0,0]=4 7238 B15R1.12 CCCCCCCNc1ccc(cc1)O 34a_100000185829_100000210614 [1,1,0,0,0,0|2,0,0]=4 7239 B15R1.12 CCCCCCCOc1ccc(cc1)Br 34a_100000185759_100000210614 [1,1,0,0,0,0|2,0,0]=4 7240 B15R1.12 CCCCCCCOc1ccc(cc1)Br 7a_100000185759_100000210614 [1,1,0,0,0,0|2,0,0]=4 7241 B15R1.12 CCCCCCCOc1ccc(cc1)C 34a_100000210336_100000210614 [1,1,0,0,0,0|2,0,0]=4 7242 B15R1.12 CCCCCCCOc1ccc(cc1)C 7a_100000210336_100000210614 [1,1,0,0,0,0|2,0,0]=4 7243 B15R1.12 CCCCCCCOc1ccc(cc1)Cl 34a_100000210216_100000210614 [1,1,0,0,0,0|2,0,0]=4 7244 B15R1.12 CCCCCCCOc1ccc(cc1)Cl 7a_100000210216_100000210614 [1,1,0,0,0,0|2,0,0]=4 7245 B15R1.12 CCCCCCCOc1ccc(cc1)F 34a_100000210339_100000210614 [1,1,0,0,0,0|2,0,0]=4 7246 B15R1.12 CCCCCCCOc1ccc(cc1)I 34a_100000212066_100000210614 [1,1,0,0,0,0|2,0,0]=4 7247 B15R1.12 CCCCCCCOc1ccc(cc1)I 7a_100000212066_100000210614 [1,1,0,0,0,0|2,0,0]=4 7248 B15R1.12 CCCCCCCOc1ccc(cc1)N 34a_100000185829_100000210614 [1,1,0,0,0,0|2,0,0]=4 7249 B15R1.12 CCCCCCCSc1ccc(cc1)Br 62a_100000210614_100000752885 [1,1,0,0,0,0|2,0,0]=4 7250 B15R1.12 CCCCCCCSc1ccc(cc1)Br 62a_100000752885_100000210316 [1,1,0,0,0,0|2,0,0]=4 7251 B15R1.12 CCCCCCCSc1ccc(cc1)C 62a_100000186775_100000210316 [1,1,0,0,0,0|2,0,0]=4 7252 B15R1.12 CCCCCCCSc1ccc(cc1)C 62a_100000210614_100000186775 [1,1,0,0,0,0|2,0,0]=4 7253 B15R1.12 CCCCCCCSc1ccc(cc1)Cl 62a_100000210614_100000755918 [1,1,0,0,0,0|2,0,0]=4 7254 B15R1.12 CCCCCCCSc1ccc(cc1)Cl 62a_100000755918_100000210316 [1,1,0,0,0,0|2,0,0]=4 7255 B15R1.12 CCCCCCCSc1ccc(cc1)F 62a_100000210614_100000211213 [1,1,0,0,0,0|2,0,0]=4 7256 B15R1.12 CCCCCCCSc1ccc(cc1)F 62a_100000211213_100000210316 [1,1,0,0,0,0|2,0,0]=4 7257 B15R1.12 CCCCCCCSc1ccc(cc1)N 62a_100000185761_100000210316 [1,1,0,0,0,0|2,0,0]=4 7258 B15R1.12 CCCCCCCSc1ccc(cc1)N 62a_100000210614_100000185761 [1,1,0,0,0,0|2,0,0]=4 7259 B15R1.12 CCCCCCCSc1ccc(cc1)O 62a_100000210614_100000185759 [1,1,0,0,0,0|2,0,0]=4 7260 B15R1.12 CCCCCCNCc1ccc(cc1)Br 207a_100000210581_100000186029 [1,1,0,0,0,0|1,0,1]=4 7261 B15R1.12 CCCCCCNCc1ccc(cc1)Br 2230a_100000174875_100000210314 [1,1,0,0,0,0|1,0,1]=4 7262 B15R1.12 CCCCCCNCc1ccc(cc1)Br 2230a_100000210581_100011217064 [1,1,0,0,0,0|1,0,1]=4 7263 B15R1.12 CCCCCCNCc1ccc(cc1)Br 270004a_100000210581_100000186029 [1,1,0,0,0,0|1,0,1]=4 7264 B15R1.12 CCCCCCNCc1ccc(cc1)Br 34a_100000174875_100000210314 [1,1,0,0,0,0|1,0,1]=4 7265 B15R1.12 CCCCCCNCc1ccc(cc1)C 207a_100000210581_100000211033 [1,1,0,0,0,0|1,0,1]=4 7266 B15R1.12 CCCCCCNCc1ccc(cc1)C 2230a_100000174908_100000210314 [1,1,0,0,0,0|1,0,1]=4 7267 B15R1.12 CCCCCCNCc1ccc(cc1)C 2230a_100000210581_100000210814 [1,1,0,0,0,0|1,0,1]=4 7268 B15R1.12 CCCCCCNCc1ccc(cc1)C 270004a_100000210581_100000211033 [1,1,0,0,0,0|1,0,1]=4 7269 B15R1.12 CCCCCCNCc1ccc(cc1)C 34a_100000174908_100000210314 [1,1,0,0,0,0|1,0,1]=4 7270 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 207a_100000210581_100000189385 [1,1,0,0,0,0|1,0,1]=4 7271 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210314 [1,1,0,0,0,0|1,0,1]=4 7272 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 2230a_100000210581_100000694040 [1,1,0,0,0,0|1,0,1]=4 7273 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 270004a_100000210581_100000189385 [1,1,0,0,0,0|1,0,1]=4 7274 B15R1.12 CCCCCCNCc1ccc(cc1)Cl 34a_100000174871_100000210314 [1,1,0,0,0,0|1,0,1]=4 7275 B15R1.12 CCCCCCNCc1ccc(cc1)F 207a_100000210581_100000210084 [1,1,0,0,0,0|1,0,1]=4 7276 B15R1.12 CCCCCCNCc1ccc(cc1)F 2230a_100000174882_100000210314 [1,1,0,0,0,0|1,0,1]=4 7277 B15R1.12 CCCCCCNCc1ccc(cc1)F 2230a_100000210581_100000198546 [1,1,0,0,0,0|1,0,1]=4 7278 B15R1.12 CCCCCCNCc1ccc(cc1)F 270004a_100000210581_100000210084 [1,1,0,0,0,0|1,0,1]=4 7279 B15R1.12 CCCCCCNCc1ccc(cc1)F 34a_100000174882_100000210314 [1,1,0,0,0,0|1,0,1]=4 7280 B15R1.12 CCCCCCNCc1ccc(cc1)I 207a_100000210581_100000188517 [1,1,0,0,0,0|1,0,1]=4 7281 B15R1.12 CCCCCCNCc1ccc(cc1)I 2230a_100000210581_100000189116 [1,1,0,0,0,0|1,0,1]=4 7282 B15R1.12 CCCCCCNCc1ccc(cc1)I 2230a_100016989417_100000210314 [1,1,0,0,0,0|1,0,1]=4 7283 B15R1.12 CCCCCCNCc1ccc(cc1)I 34a_100016989417_100000210314 [1,1,0,0,0,0|1,0,1]=4 7284 B15R1.12 CCCCCCNCc1ccc(cc1)O 34a_100000185549_100000210314 [1,1,0,0,0,0|1,0,1]=4 7285 B15R1.12 CCCCCCOCc1cc[n+](cc1)C 34a_100009831711_100000210314 [1,1,0,0,0,0|1,0,1]=4 7286 B15R1.12 CCCCCCOCc1cc[n+](cc1)[O-] 34a_100000031831_100000210314 [1,1,0,0,0,0|1,0,1]=4 7287 B15R1.12 CCCCCCOCc1cc[n+](cc1)[O-] 7a_100000031831_100000210314 [1,1,0,0,0,0|1,0,1]=4 7288 B15R1.12 CCCCCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210314 [1,1,0,0,0,0|1,0,1]=4 7289 B15R1.12 CCCCCCOCc1ccc(cc1)Br 34a_100000210259_100000189115 [1,1,0,0,0,0|0,0,1]=3 7290 B15R1.12 CCCCCCOCc1ccc(cc1)Br 34a_100000695286_100000210314 [1,1,0,0,0,0|0,0,1]=3 7291 B15R1.12 CCCCCCOCc1ccc(cc1)Br 7a_100000210259_100011217064 [1,1,0,0,0,0|0,0,1]=3 7292 B15R1.12 CCCCCCOCc1ccc(cc1)C 34a_100000210259_100000210814 [1,1,0,0,0,0|0,0,1]=3 7293 B15R1.12 CCCCCCOCc1ccc(cc1)C 34a_100011215236_100000210314 [1,1,0,0,0,0|0,0,1]=3 7294 B15R1.12 CCCCCCOCc1ccc(cc1)C 7a_100000210259_100000210814 [1,1,0,0,0,0|0,0,1]=3 7295 B15R1.12 CCCCCCOCc1ccc(cc1)C 7a_100011215236_100000210314 [1,1,0,0,0,0|0,0,1]=3 7296 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 34a_100000210259_100000694040 [1,1,0,0,0,0|0,0,1]=3 7297 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000210314 [1,1,0,0,0,0|0,0,1]=3 7298 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 7a_100000210259_100000187161 [1,1,0,0,0,0|0,0,1]=3 7299 B15R1.12 CCCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000210314 [1,1,0,0,0,0|0,0,1]=3 7300 B15R1.12 CCCCCCOCc1ccc(cc1)F 34a_100000210259_100000198546 [1,1,0,0,0,0|0,0,1]=3 7301 B15R1.12 CCCCCCOCc1ccc(cc1)F 34a_100000210977_100000210314 [1,1,0,0,0,0|0,0,1]=3 7302 B15R1.12 CCCCCCOCc1ccc(cc1)F 7a_100000210259_100000198546 [1,1,0,0,0,0|0,0,1]=3 7303 B15R1.12 CCCCCCOCc1ccc(cc1)F 7a_100000210977_100000210314 [1,1,0,0,0,0|0,0,1]=3 7304 B15R1.12 CCCCCCOCc1ccc(cc1)I 34a_100000210259_100000189116 [1,1,0,0,0,0|0,0,1]=3 7305 B15R1.12 CCCCCCOCc1ccc(cc1)I 34a_100000690907_100000210314 [1,1,0,0,0,0|0,0,1]=3 7306 B15R1.12 CCCCCCOCc1ccc(cc1)I 7a_100000210259_100000189116 [1,1,0,0,0,0|0,0,1]=3 7307 B15R1.12 CCCCCCOCc1ccc(cc1)I 7a_100000690907_100000210314 [1,1,0,0,0,0|0,0,1]=3 7308 B15R1.12 CCCCCCOCc1ccc(cc1)N 34a_100011215238_100000210314 [1,1,0,0,0,0|0,0,1]=3 7309 B15R1.12 CCCCCCOCc1ccc(cn1)Br 34a_100000210259_100000702658 [1,1,0,0,0,0|1,0,1]=4 7310 B15R1.12 CCCCCCOCc1ccc(cn1)Br 34a_100000754261_100000210314 [1,1,0,0,0,0|1,0,1]=4 7311 B15R1.12 CCCCCCOCc1ccc(cn1)Br 7a_100000210259_100000702658 [1,1,0,0,0,0|1,0,1]=4 7312 B15R1.12 CCCCCCOCc1ccc(cn1)C 34a_100000210259_100000691093 [1,1,0,0,0,0|1,0,1]=4 7313 B15R1.12 CCCCCCOCc1ccc(cn1)C 34a_100012001401_100000210314 [1,1,0,0,0,0|1,0,1]=4 7314 B15R1.12 CCCCCCOCc1ccc(cn1)C 7a_100000210259_100000691093 [1,1,0,0,0,0|1,0,1]=4 7315 B15R1.12 CCCCCCOCc1ccc(cn1)Cl 34a_100000210259_100012066911 [1,1,0,0,0,0|1,0,1]=4 7316 B15R1.12 CCCCCCOCc1ccc(cn1)Cl 34a_100000703999_100000210314 [1,1,0,0,0,0|1,0,1]=4 7317 B15R1.12 CCCCCCOCc1ccc(cn1)Cl 7a_100000210259_100012066911 [1,1,0,0,0,0|1,0,1]=4 7318 B15R1.12 CCCCCCOCc1ccc(cn1)F 34a_100000210259_100000703193 [1,1,0,0,0,0|1,0,1]=4 7319 B15R1.12 CCCCCCOCc1ccc(cn1)F 34a_100011999454_100000210314 [1,1,0,0,0,0|1,0,1]=4 7320 B15R1.12 CCCCCCOCc1ccc(cn1)F 7a_100000210259_100000703193 [1,1,0,0,0,0|1,0,1]=4 7321 B15R1.12 CCCCCCOCc1ccc(cn1)N 34a_100011998161_100000210314 [1,1,0,0,0,0|1,0,1]=4 7322 B15R1.12 CCCCCCOCc1ccc(nc1)Br 34a_100000210259_100009831999 [1,1,0,0,0,0|1,0,1]=4 7323 B15R1.12 CCCCCCOCc1ccc(nc1)Br 34a_100009816760_100000210314 [1,1,0,0,0,0|1,0,1]=4 7324 B15R1.12 CCCCCCOCc1ccc(nc1)Br 7a_100000210259_100009831999 [1,1,0,0,0,0|1,0,1]=4 7325 B15R1.12 CCCCCCOCc1ccc(nc1)Br 7a_100009816760_100000210314 [1,1,0,0,0,0|1,0,1]=4 7326 B15R1.12 CCCCCCOCc1ccc(nc1)C 34a_100000210259_100016987292 [1,1,0,0,0,0|1,0,1]=4 7327 B15R1.12 CCCCCCOCc1ccc(nc1)C 34a_100011248133_100000210314 [1,1,0,0,0,0|1,0,1]=4 7328 B15R1.12 CCCCCCOCc1ccc(nc1)C 7a_100000210259_100016987292 [1,1,0,0,0,0|1,0,1]=4 7329 B15R1.12 CCCCCCOCc1ccc(nc1)Cl 34a_100000210259_100000735431 [1,1,0,0,0,0|1,0,1]=4 7330 B15R1.12 CCCCCCOCc1ccc(nc1)Cl 34a_100000755211_100000210314 [1,1,0,0,0,0|1,0,1]=4 7331 B15R1.12 CCCCCCOCc1ccc(nc1)Cl 7a_100000210259_100000735431 [1,1,0,0,0,0|1,0,1]=4 7332 B15R1.12 CCCCCCOCc1ccc(nc1)Cl 7a_100000755211_100000210314 [1,1,0,0,0,0|1,0,1]=4 7333 B15R1.12 CCCCCCOCc1ccc(nc1)F 34a_100000079959_100000210314 [1,1,0,0,0,0|1,0,1]=4 7334 B15R1.12 CCCCCCOCc1ccc(nc1)F 34a_100000210259_100000099788 [1,1,0,0,0,0|1,0,1]=4 7335 B15R1.12 CCCCCCOCc1ccc(nc1)F 7a_100000210259_100009820150 [1,1,0,0,0,0|1,0,1]=4 7336 B15R1.12 CCCCCCOCc1ccc(nc1)N 34a_100000704267_100000210314 [1,1,0,0,0,0|1,0,1]=4 7337 B15R1.12 CCCCCCSCc1ccc(cc1)Br 62a_100000189115_100000210757 [1,1,0,0,0,0|0,1,1]=4 7338 B15R1.12 CCCCCCSCc1ccc(cc1)Br 62a_100000210314_100000189115 [1,1,0,0,0,0|0,1,1]=4 7339 B15R1.12 CCCCCCSCc1ccc(cc1)C 62a_100000210314_100000210814 [1,1,0,0,0,0|0,1,1]=4 7340 B15R1.12 CCCCCCSCc1ccc(cc1)C 62a_100000210814_100000210757 [1,1,0,0,0,0|0,1,1]=4 7341 B15R1.12 CCCCCCSCc1ccc(cc1)Cl 62a_100000187161_100000210757 [1,1,0,0,0,0|0,1,1]=4 7342 B15R1.12 CCCCCCSCc1ccc(cc1)Cl 62a_100000210314_100000187161 [1,1,0,0,0,0|0,1,1]=4 7343 B15R1.12 CCCCCCSCc1ccc(cc1)F 62a_100000198546_100000210757 [1,1,0,0,0,0|0,1,1]=4 7344 B15R1.12 CCCCCCSCc1ccc(cc1)F 62a_100000210314_100000187164 [1,1,0,0,0,0|0,1,1]=4 7345 B15R1.12 CCCCCCSCc1ccc(cc1)I 62a_100000189116_100000210757 [1,1,0,0,0,0|0,1,1]=4 7346 B15R1.12 CCCCCCSCc1ccc(cc1)I 62a_100000210314_100000189116 [1,1,0,0,0,0|0,1,1]=4 7347 B15R1.12 CCCCCNN=Cc1ccc(cc1)Br 4a_100000694160_100000186029 [1,1,0,0,0,0|2,0,0]=4 7348 B15R1.12 CCCCCNN=Cc1ccc(cc1)C 4a_100000694160_100000211033 [1,1,0,0,0,0|2,0,0]=4 7349 B15R1.12 CCCCCNN=Cc1ccc(cc1)Cl 4a_100000694160_100000189385 [1,1,0,0,0,0|2,0,0]=4 7350 B15R1.12 CCCCCNN=Cc1ccc(cc1)F 4a_100000694160_100000210084 [1,1,0,0,0,0|2,0,0]=4 7351 B15R1.12 CCCCCNN=Cc1ccc(cc1)I 4a_100000694160_100000188517 [1,1,0,0,0,0|2,0,0]=4 7352 B15R1.12 CCCCCNN=Cc1ccc(cc1)O 4a_100000694160_100000185832 [1,1,0,0,0,0|2,0,0]=4 7353 B15R1.12 CCCCNCC=Cc1ccc(cc1)Br 270004a_100000102301_100016291818 [1,1,0,0,0,0|2,0,0]=4 7354 B15R1.12 CCCCNCC=Cc1ccc(cc1)C 270004a_100000102301_100016257026 [1,1,0,0,0,0|2,0,0]=4 7355 B15R1.12 CCCCNCC=Cc1ccc(cc1)Cl 270004a_100000102301_100102525842 [1,1,0,0,0,0|2,0,0]=4 7356 B15R1.12 CCCCNCC=Cc1ccc(cc1)F 270004a_100000102301_100016272083 [1,1,0,0,0,0|2,0,0]=4 7357 B15R1.12 CCCCOCOCc1ccc(cc1)Br 34a_100000695286_100011995733 [1,1,0,0,0,0|1,0,1]=4 7358 B15R1.12 CCCCOCOCc1ccc(cc1)C 34a_100011215236_100011995733 [1,1,0,0,0,0|1,0,1]=4 7359 B15R1.12 CCCCOCOCc1ccc(cc1)Cl 34a_100000211118_100011995733 [1,1,0,0,0,0|1,0,1]=4 7360 B15R1.12 CCCCOCOCc1ccc(cc1)F 34a_100000210977_100011995733 [1,1,0,0,0,0|1,0,1]=4 7361 B15R1.12 CCCCOCOCc1ccc(cc1)I 34a_100000690907_100011995733 [1,1,0,0,0,0|1,0,1]=4 7362 B15R1.12 CCCCOCOCc1ccc(cc1)N 34a_100011215238_100011995733 [1,1,0,0,0,0|1,0,1]=4 7363 B15R1.12 CCCNCCOCc1ccc(cc1)Cl 2230a_100000189180_100000210303 [1,1,0,0,0,0|1,0,1]=4 7364 B15R1.12 CCCNCCOCc1ccc(cc1)Cl 34a_100000189180_100000210303 [1,1,0,0,0,0|1,0,1]=4 7365 B15R1.12 CCCOCCOCc1ccc(cc1)Br 34a_100000695286_100011215938 [1,1,0,0,0,0|1,0,1]=4 7366 B15R1.12 CCCOCCOCc1ccc(cc1)Br 34a_100000752267_100000189115 [1,1,0,0,0,0|1,0,1]=4 7367 B15R1.12 CCCOCCOCc1ccc(cc1)Br 7a_100000752267_100011217064 [1,1,0,0,0,0|1,0,1]=4 7368 B15R1.12 CCCOCCOCc1ccc(cc1)C 34a_100000752267_100000210814 [1,1,0,0,0,0|1,0,1]=4 7369 B15R1.12 CCCOCCOCc1ccc(cc1)C 34a_100011215236_100011215938 [1,1,0,0,0,0|1,0,1]=4 7370 B15R1.12 CCCOCCOCc1ccc(cc1)C 7a_100000752267_100000210814 [1,1,0,0,0,0|1,0,1]=4 7371 B15R1.12 CCCOCCOCc1ccc(cc1)C 7a_100011215236_100011215938 [1,1,0,0,0,0|1,0,1]=4 7372 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 34a_100000211118_100011215938 [1,1,0,0,0,0|1,0,1]=4 7373 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 34a_100000752267_100000694040 [1,1,0,0,0,0|1,0,1]=4 7374 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 7a_100000211118_100011215938 [1,1,0,0,0,0|1,0,1]=4 7375 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 7a_100000752267_100000187161 [1,1,0,0,0,0|1,0,1]=4 7376 B15R1.12 CCCOCCOCc1ccc(cc1)F 34a_100000210977_100011215938 [1,1,0,0,0,0|1,0,1]=4 7377 B15R1.12 CCCOCCOCc1ccc(cc1)F 34a_100000752267_100000198546 [1,1,0,0,0,0|1,0,1]=4 7378 B15R1.12 CCCOCCOCc1ccc(cc1)F 7a_100000210977_100011215938 [1,1,0,0,0,0|1,0,1]=4 7379 B15R1.12 CCCOCCOCc1ccc(cc1)F 7a_100000752267_100000198546 [1,1,0,0,0,0|1,0,1]=4 7380 B15R1.12 CCCOCCOCc1ccc(cc1)I 34a_100000690907_100011215938 [1,1,0,0,0,0|1,0,1]=4 7381 B15R1.12 CCCOCCOCc1ccc(cc1)I 34a_100000752267_100000189116 [1,1,0,0,0,0|1,0,1]=4 7382 B15R1.12 CCCOCCOCc1ccc(cc1)I 7a_100000690907_100011215938 [1,1,0,0,0,0|1,0,1]=4 7383 B15R1.12 CCCOCCOCc1ccc(cc1)I 7a_100000752267_100000189116 [1,1,0,0,0,0|1,0,1]=4 7384 B15R1.12 CCCOCCOCc1ccc(cc1)N 34a_100011215238_100011215938 [1,1,0,0,0,0|1,0,1]=4 7385 B15R1.12 CCCSCCOCc1ccc(cc1)Br 34a_200000230433_100000189115 [1,1,0,0,0,0|1,0,1]=4 7386 B15R1.12 CCCSCCOCc1ccc(cc1)Br 7a_200000230433_100011217064 [1,1,0,0,0,0|1,0,1]=4 7387 B15R1.12 CCCSCCOCc1ccc(cc1)C 34a_200000230433_100000210814 [1,1,0,0,0,0|1,0,1]=4 7388 B15R1.12 CCCSCCOCc1ccc(cc1)C 7a_200000230433_100000210814 [1,1,0,0,0,0|1,0,1]=4 7389 B15R1.12 CCCSCCOCc1ccc(cc1)Cl 34a_200000230433_100000694040 [1,1,0,0,0,0|1,0,1]=4 7390 B15R1.12 CCCSCCOCc1ccc(cc1)Cl 7a_200000230433_100000187161 [1,1,0,0,0,0|1,0,1]=4 7391 B15R1.12 CCCSCCOCc1ccc(cc1)F 34a_200000230433_100000198546 [1,1,0,0,0,0|1,0,1]=4 7392 B15R1.12 CCCSCCOCc1ccc(cc1)F 7a_200000230433_100000198546 [1,1,0,0,0,0|1,0,1]=4 7393 B15R1.12 CCCSCCOCc1ccc(cc1)I 34a_200000230433_100000189116 [1,1,0,0,0,0|1,0,1]=4 7394 B15R1.12 CCCSCCOCc1ccc(cc1)I 7a_200000230433_100000189116 [1,1,0,0,0,0|1,0,1]=4 7395 B15R1.12 CCOCCCOCc1ccc(cc1)Br 34a_100000695286_100012232248 [1,1,0,0,0,0|1,0,1]=4 7396 B15R1.12 CCOCCCOCc1ccc(cc1)Br 34a_100000757476_100000189115 [1,1,0,0,0,0|1,0,1]=4 7397 B15R1.12 CCOCCCOCc1ccc(cc1)Br 7a_100000757476_100011217064 [1,1,0,0,0,0|1,0,1]=4 7398 B15R1.12 CCOCCCOCc1ccc(cc1)C 34a_100000757476_100000210814 [1,1,0,0,0,0|1,0,1]=4 7399 B15R1.12 CCOCCCOCc1ccc(cc1)C 34a_100011215236_100012232248 [1,1,0,0,0,0|1,0,1]=4 7400 B15R1.12 CCOCCCOCc1ccc(cc1)C 7a_100000757476_100000210814 [1,1,0,0,0,0|1,0,1]=4 7401 B15R1.12 CCOCCCOCc1ccc(cc1)C 7a_100011215236_100012232248 [1,1,0,0,0,0|1,0,1]=4 7402 B15R1.12 CCOCCCOCc1ccc(cc1)Cl 34a_100000211118_100012232248 [1,1,0,0,0,0|1,0,1]=4 7403 B15R1.12 CCOCCCOCc1ccc(cc1)Cl 34a_100000757476_100000694040 [1,1,0,0,0,0|1,0,1]=4 7404 B15R1.12 CCOCCCOCc1ccc(cc1)Cl 7a_100000211118_100012232248 [1,1,0,0,0,0|1,0,1]=4 7405 B15R1.12 CCOCCCOCc1ccc(cc1)Cl 7a_100000757476_100000187161 [1,1,0,0,0,0|1,0,1]=4 7406 B15R1.12 CCOCCCOCc1ccc(cc1)F 34a_100000210977_100012232248 [1,1,0,0,0,0|1,0,1]=4 7407 B15R1.12 CCOCCCOCc1ccc(cc1)F 34a_100000757476_100000198546 [1,1,0,0,0,0|1,0,1]=4 7408 B15R1.12 CCOCCCOCc1ccc(cc1)F 7a_100000210977_100012232248 [1,1,0,0,0,0|1,0,1]=4 7409 B15R1.12 CCOCCCOCc1ccc(cc1)F 7a_100000757476_100000198546 [1,1,0,0,0,0|1,0,1]=4 7410 B15R1.12 CCOCCCOCc1ccc(cc1)I 34a_100000690907_100012232248 [1,1,0,0,0,0|1,0,1]=4 7411 B15R1.12 CCOCCCOCc1ccc(cc1)I 34a_100000757476_100000189116 [1,1,0,0,0,0|1,0,1]=4 7412 B15R1.12 CCOCCCOCc1ccc(cc1)I 7a_100000690907_100012232248 [1,1,0,0,0,0|1,0,1]=4 7413 B15R1.12 CCOCCCOCc1ccc(cc1)I 7a_100000757476_100000189116 [1,1,0,0,0,0|1,0,1]=4 7414 B15R1.12 CCOCCCOCc1ccc(cc1)N 34a_100011215238_100012232248 [1,1,0,0,0,0|1,0,1]=4 7415 B15R1.12 CCSCCCOCc1ccc(cc1)Br 34a_100011216438_100000189115 [1,1,0,0,0,0|1,0,1]=4 7416 B15R1.12 CCSCCCOCc1ccc(cc1)Br 7a_100011216438_100011217064 [1,1,0,0,0,0|1,0,1]=4 7417 B15R1.12 CCSCCCOCc1ccc(cc1)C 34a_100011216438_100000210814 [1,1,0,0,0,0|1,0,1]=4 7418 B15R1.12 CCSCCCOCc1ccc(cc1)C 7a_100011216438_100000210814 [1,1,0,0,0,0|1,0,1]=4 7419 B15R1.12 CCSCCCOCc1ccc(cc1)Cl 34a_100011216438_100000694040 [1,1,0,0,0,0|1,0,1]=4 7420 B15R1.12 CCSCCCOCc1ccc(cc1)Cl 7a_100011216438_100000187161 [1,1,0,0,0,0|1,0,1]=4 7421 B15R1.12 CCSCCCOCc1ccc(cc1)F 34a_100011216438_100000198546 [1,1,0,0,0,0|1,0,1]=4 7422 B15R1.12 CCSCCCOCc1ccc(cc1)F 7a_100011216438_100000198546 [1,1,0,0,0,0|1,0,1]=4 7423 B15R1.12 CCSCCCOCc1ccc(cc1)I 34a_100011216438_100000189116 [1,1,0,0,0,0|1,0,1]=4 7424 B15R1.12 CCSCCCOCc1ccc(cc1)I 7a_100011216438_100000189116 [1,1,0,0,0,0|1,0,1]=4 7425 B15R1.12 COCCCCOCc1ccc(cc1)Br 34a_100000695286_100000755781 [1,1,0,0,0,0|1,0,1]=4 7426 B15R1.12 COCCCCOCc1ccc(cc1)Br 34a_100000740925_100000189115 [1,1,0,0,0,0|1,0,1]=4 7427 B15R1.12 COCCCCOCc1ccc(cc1)C 34a_100000740925_100000210814 [1,1,0,0,0,0|1,0,1]=4 7428 B15R1.12 COCCCCOCc1ccc(cc1)C 34a_100011215236_100000755781 [1,1,0,0,0,0|1,0,1]=4 7429 B15R1.12 COCCCCOCc1ccc(cc1)C 7a_100011215236_100000730899 [1,1,0,0,0,0|1,0,1]=4 7430 B15R1.12 COCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000755781 [1,1,0,0,0,0|1,0,1]=4 7431 B15R1.12 COCCCCOCc1ccc(cc1)Cl 34a_100000740925_100000694040 [1,1,0,0,0,0|1,0,1]=4 7432 B15R1.12 COCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000730899 [1,1,0,0,0,0|1,0,1]=4 7433 B15R1.12 COCCCCOCc1ccc(cc1)F 34a_100000210977_100000755781 [1,1,0,0,0,0|1,0,1]=4 7434 B15R1.12 COCCCCOCc1ccc(cc1)F 34a_100000740925_100000198546 [1,1,0,0,0,0|1,0,1]=4 7435 B15R1.12 COCCCCOCc1ccc(cc1)F 7a_100000210977_100000730899 [1,1,0,0,0,0|1,0,1]=4 7436 B15R1.12 COCCCCOCc1ccc(cc1)I 34a_100000690907_100000755781 [1,1,0,0,0,0|1,0,1]=4 7437 B15R1.12 COCCCCOCc1ccc(cc1)I 34a_100000740925_100000189116 [1,1,0,0,0,0|1,0,1]=4 7438 B15R1.12 COCCCCOCc1ccc(cc1)I 7a_100000690907_100000730899 [1,1,0,0,0,0|1,0,1]=4 7439 B15R1.12 COCCCCOCc1ccc(cc1)N 34a_100011215238_100000755781 [1,1,0,0,0,0|1,0,1]=4 7440 B15R1.12 CSCCCCOCc1ccc(cc1)Br 34a_100011217163_100000189115 [1,1,0,0,0,0|1,0,1]=4 7441 B15R1.12 CSCCCCOCc1ccc(cc1)Br 7a_100011217163_100011217064 [1,1,0,0,0,0|1,0,1]=4 7442 B15R1.12 CSCCCCOCc1ccc(cc1)C 34a_100011217163_100000210814 [1,1,0,0,0,0|1,0,1]=4 7443 B15R1.12 CSCCCCOCc1ccc(cc1)C 7a_100011217163_100000210814 [1,1,0,0,0,0|1,0,1]=4 7444 B15R1.12 CSCCCCOCc1ccc(cc1)Cl 34a_100011217163_100000694040 [1,1,0,0,0,0|1,0,1]=4 7445 B15R1.12 CSCCCCOCc1ccc(cc1)Cl 7a_100011217163_100000187161 [1,1,0,0,0,0|1,0,1]=4 7446 B15R1.12 CSCCCCOCc1ccc(cc1)F 34a_100011217163_100000198546 [1,1,0,0,0,0|1,0,1]=4 7447 B15R1.12 CSCCCCOCc1ccc(cc1)F 7a_100011217163_100000198546 [1,1,0,0,0,0|1,0,1]=4 7448 B15R1.12 CSCCCCOCc1ccc(cc1)I 34a_100011217163_100000189116 [1,1,0,0,0,0|1,0,1]=4 7449 B15R1.12 CSCCCCOCc1ccc(cc1)I 7a_100011217163_100000189116 [1,1,0,0,0,0|1,0,1]=4 7450 B15R1.12 Cc1ccc(cc1)COCCCCCBr 34a_100000746331_100000210814 [1,1,0,0,0,0|1,0,1]=4 7451 B15R1.12 Cc1ccc(cc1)COCCCCCBr 7a_100000746331_100000210814 [1,1,0,0,0,0|1,0,1]=4 7452 B15R1.12 Cc1ccc(cc1)COCCCCCCl 34a_100000746330_100000210814 [1,1,0,0,0,0|1,0,1]=4 7453 B15R1.12 Cc1ccc(cc1)COCCCCCCl 7a_100000746330_100000210814 [1,1,0,0,0,0|1,0,1]=4 7454 B15R1.12 Cc1ccc(cc1)COCCCCCF 34a_100011215236_100000729378 [1,1,0,0,0,0|1,0,1]=4 7455 B15R1.12 Cc1ccc(cc1)COCCCCCF 7a_100011215236_100000729378 [1,1,0,0,0,0|1,0,1]=4 7456 B15R1.12 Cc1ccc(cc1)COCCCCCI 34a_200012148887_100000210814 [1,1,0,0,0,0|1,0,1]=4 7457 B15R1.12 Cc1ccc(cc1)COCCCCCI 7a_200012148887_100000210814 [1,1,0,0,0,0|1,0,1]=4 7458 B15R1.12 Cc1ccc(cc1)COCCCCCN 34a_100000762737_100000210814 [1,1,0,0,0,0|1,0,1]=4 7459 B15R1.12 Cc1ccc(cc1)COCCCCCO 34a_100011215236_100000746330 [1,1,0,0,0,0|1,0,1]=4 7460 B15R1.12 Cc1ccc(cc1)COCCCCCO 7a_100011215236_100000746330 [1,1,0,0,0,0|1,0,1]=4 7461 B15R1.12 ClCCCCCOCc1ccc(cc1)Br 34a_100000746330_100000189115 [1,1,0,0,0,0|1,0,1]=4 7462 B15R1.12 ClCCCCCOCc1ccc(cc1)Br 7a_100000746330_100011217064 [1,1,0,0,0,0|1,0,1]=4 7463 B15R1.12 ClCCCCCOCc1ccc(cc1)Cl 34a_100000746330_100000694040 [1,1,0,0,0,0|1,0,1]=4 7464 B15R1.12 ClCCCCCOCc1ccc(cc1)Cl 7a_100000746330_100000187161 [1,1,0,0,0,0|1,0,1]=4 7465 B15R1.12 ClCCCCCOCc1ccc(cc1)I 34a_100000746330_100000189116 [1,1,0,0,0,0|1,0,1]=4 7466 B15R1.12 ClCCCCCOCc1ccc(cc1)I 7a_100000746330_100000189116 [1,1,0,0,0,0|1,0,1]=4 7467 B15R1.12 Clc1ccc(cc1)COCCCCCBr 34a_100000746331_100000694040 [1,1,0,0,0,0|1,0,1]=4 7468 B15R1.12 Clc1ccc(cc1)COCCCCCBr 7a_100000746331_100000187161 [1,1,0,0,0,0|1,0,1]=4 7469 B15R1.12 Clc1ccc(cc1)COCCCCCI 34a_200012148887_100000694040 [1,1,0,0,0,0|1,0,1]=4 7470 B15R1.12 Clc1ccc(cc1)COCCCCCI 7a_200012148887_100000187161 [1,1,0,0,0,0|1,0,1]=4 7471 B15R1.12 FCCCCCOCc1ccc(cc1)Br 34a_100000695286_100000729378 [1,1,0,0,0,0|1,0,1]=4 7472 B15R1.12 FCCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000729378 [1,1,0,0,0,0|1,0,1]=4 7473 B15R1.12 FCCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000729378 [1,1,0,0,0,0|1,0,1]=4 7474 B15R1.12 FCCCCCOCc1ccc(cc1)F 34a_100000210977_100000729378 [1,1,0,0,0,0|1,0,1]=4 7475 B15R1.12 FCCCCCOCc1ccc(cc1)F 7a_100000210977_100000729378 [1,1,0,0,0,0|1,0,1]=4 7476 B15R1.12 FCCCCCOCc1ccc(cc1)I 34a_100000690907_100000729378 [1,1,0,0,0,0|1,0,1]=4 7477 B15R1.12 FCCCCCOCc1ccc(cc1)I 7a_100000690907_100000729378 [1,1,0,0,0,0|1,0,1]=4 7478 B15R1.12 Fc1ccc(cc1)COCCCCCBr 34a_100000746331_100000198546 [1,1,0,0,0,0|1,0,1]=4 7479 B15R1.12 Fc1ccc(cc1)COCCCCCBr 7a_100000746331_100000198546 [1,1,0,0,0,0|1,0,1]=4 7480 B15R1.12 Fc1ccc(cc1)COCCCCCCl 34a_100000746330_100000198546 [1,1,0,0,0,0|1,0,1]=4 7481 B15R1.12 Fc1ccc(cc1)COCCCCCCl 7a_100000746330_100000198546 [1,1,0,0,0,0|1,0,1]=4 7482 B15R1.12 Fc1ccc(cc1)COCCCCCI 34a_200012148887_100000198546 [1,1,0,0,0,0|1,0,1]=4 7483 B15R1.12 Fc1ccc(cc1)COCCCCCI 7a_200012148887_100000198546 [1,1,0,0,0,0|1,0,1]=4 7484 B15R1.12 ICCCCCOCc1ccc(cc1)I 34a_200012148887_100000189116 [1,1,0,0,0,0|1,0,1]=4 7485 B15R1.12 ICCCCCOCc1ccc(cc1)I 7a_200012148887_100000189116 [1,1,0,0,0,0|1,0,1]=4 7486 B15R1.12 NCCCCCOCc1ccc(cc1)Br 34a_100000762737_100000189115 [1,1,0,0,0,0|1,0,1]=4 7487 B15R1.12 NCCCCCOCc1ccc(cc1)Cl 34a_100000762737_100000694040 [1,1,0,0,0,0|1,0,1]=4 7488 B15R1.12 NCCCCCOCc1ccc(cc1)F 34a_100000762737_100000198546 [1,1,0,0,0,0|1,0,1]=4 7489 B15R1.12 NCCCCCOCc1ccc(cc1)I 34a_100000762737_100000189116 [1,1,0,0,0,0|1,0,1]=4 7490 B15R1.12 Nc1ccc(cc1)COCCCCCF 34a_100011215238_100000729378 [1,1,0,0,0,0|1,0,1]=4 7491 B15R1.12 Nc1ccc(cc1)COCCCCCO 34a_100011215238_100000746330 [1,1,0,0,0,0|1,0,1]=4 7492 B15R1.12 OCCCCCOCc1ccc(cc1)Br 34a_100000695286_100000746330 [1,1,0,0,0,0|1,0,1]=4 7493 B15R1.12 OCCCCCOCc1ccc(cc1)Cl 34a_100000211118_100000746330 [1,1,0,0,0,0|1,0,1]=4 7494 B15R1.12 OCCCCCOCc1ccc(cc1)Cl 7a_100000211118_100000746330 [1,1,0,0,0,0|1,0,1]=4 7495 B15R1.12 OCCCCCOCc1ccc(cc1)F 34a_100000210977_100000746330 [1,1,0,0,0,0|1,0,1]=4 7496 B15R1.12 OCCCCCOCc1ccc(cc1)F 7a_100000210977_100000746330 [1,1,0,0,0,0|1,0,1]=4 7497 B15R1.12 OCCCCCOCc1ccc(cc1)I 34a_100000690907_100000746330 [1,1,0,0,0,0|1,0,1]=4 7498 B15R1.12 OCCCCCOCc1ccc(cc1)I 7a_100000690907_100000746330 [1,1,0,0,0,0|1,0,1]=4 7499 B15R1.35 BrCCCCCCOCc1ccccc1 34a_100011215345_100015291786 [1,1,0,0,0,0|0,0,1]=3 7500 B15R1.35 BrCCCCCCOCc1ccccc1 7a_100011215345_100000211182 [1,1,0,0,0,0|0,0,1]=3 7501 B15R1.35 BrCCCCCCOCc1ccccn1 34a_100011215345_100000721315 [1,1,0,0,0,0|1,0,1]=4 7502 B15R1.35 BrCCCCCCOCc1ccccn1 7a_100011215345_100000721315 [1,1,0,0,0,0|1,0,1]=4 7503 B15R1.35 BrCCCCCCOCc1cccnc1 34a_100011215345_100000733263 [1,1,0,0,0,0|1,0,1]=4 7504 B15R1.35 BrCCCCCCOCc1cccnc1 7a_100011215345_100000741622 [1,1,0,0,0,0|1,0,1]=4 7505 B15R1.35 BrCCCCCCOCc1ccncc1 7a_100011215345_100015193705 [1,1,0,0,0,0|1,0,1]=4 7506 B15R1.35 BrCCCCCOCCc1ccccc1 34a_100000746331_100000765856 [1,1,0,0,0,0|1,0,1]=4 7507 B15R1.35 BrCCCCCOCCc1ccccc1 7a_100000746331_100000765856 [1,1,0,0,0,0|1,0,1]=4 7508 B15R1.35 BrCCCCOC/C=C/c1ccccc1 34a_100011216708_100016265936 [1,1,0,0,0,0|2,0,0]=4 7509 B15R1.35 BrCCCCOCOCc1ccccc1 34a_100011216708_100000763385 [1,1,0,0,0,0|1,0,1]=4 7510 B15R1.35 BrCCCOCCOCc1ccccc1 34a_100011217188_100000234347 [1,1,0,0,0,0|1,0,1]=4 7511 B15R1.35 BrCCOCCCOCc1ccccc1 34a_100000211926_100011215529 [1,1,0,0,0,0|1,0,1]=4 7512 B15R1.35 C#CCCCCCOCc1ccccc1 34a_100000210790_100012094781 [1,1,0,0,0,0|0,0,2]=4 7513 B15R1.35 C#CCCCCCOCc1ccccc1 34a_100000766912_100015291786 [1,1,0,0,0,0|0,0,2]=4 7514 B15R1.35 C#CCCCCCOCc1ccccc1 7a_100000210790_100012094781 [1,1,0,0,0,0|0,0,2]=4 7515 B15R1.35 C#CCCCCCOCc1ccccc1 7a_100000766912_100000211182 [1,1,0,0,0,0|0,0,2]=4 7516 B15R1.35 C=CCCCCCOCc1ccccc1 34a_100000210790_100000700193 [1,1,0,0,0,0|0,0,2]=4 7517 B15R1.35 C=CCCCCCOCc1ccccc1 34a_100011216702_100015291786 [1,1,0,0,0,0|0,0,2]=4 7518 B15R1.35 C=CCCCCCOCc1ccccc1 7a_100000210790_100000700193 [1,1,0,0,0,0|0,0,2]=4 7519 B15R1.35 C=CCCCCCOCc1ccccc1 7a_100011216702_100000211182 [1,1,0,0,0,0|0,0,2]=4 7520 B15R1.35 CC/C=C/CCCOCc1ccccc1 34a_100016287902_100015291786 [1,1,0,0,0,0|0,0,2]=4 7521 B15R1.35 CC/C=C/CCCOCc1ccccc1 7a_100016287902_100000211182 [1,1,0,0,0,0|0,0,2]=4 7522 B15R1.35 CCCC#CCCOCc1ccccc1 34a_100000042726_100015291786 [1,1,0,0,0,0|0,0,2]=4 7523 B15R1.35 CCCC#CCCOCc1ccccc1 7a_100000042726_100000211182 [1,1,0,0,0,0|0,0,2]=4 7524 B15R1.35 CCCC/C=C/COCc1ccccc1 34a_200016272032_100015291786 [1,1,0,0,0,0|0,0,2]=4 7525 B15R1.35 CCCC/C=C/COCc1ccccc1 7a_200016272032_100000211182 [1,1,0,0,0,0|0,0,2]=4 7526 B15R1.35 CCCCC#CCOCc1ccccc1 34a_200000034558_100015291786 [1,1,0,0,0,0|0,0,2]=4 7527 B15R1.35 CCCCC#CCOCc1ccccc1 7a_200000034558_100000211182 [1,1,0,0,0,0|0,0,2]=4 7528 B15R1.35 CCCCCCC=NNc1ccccc1 4a_100015195140_100000234349 [1,1,0,0,0,0|2,0,0]=4 7529 B15R1.35 CCCCCCCC=Cc1ccccc1 271570a_100134823654_100000210277 [1,1,0,0,0,0|1,0,0]=3 7530 B15R1.35 CCCCCCCC=Cc1ccccn1 271570a_100134823654_100011216584 [1,1,0,0,0,0|2,0,0]=4 7531 B15R1.35 CCCCCCCC=Cc1cccnc1 271570a_100134823654_100000752921 [1,1,0,0,0,0|2,0,0]=4 7532 B15R1.35 CCCCCCCC=Cc1ccncc1 271570a_100134823654_100000035832 [1,1,0,0,0,0|2,0,0]=4 7533 B15R1.35 CCCCCCCCNc1ccccc1 34a_100000106764_100000210759 [1,1,0,0,0,0|1,0,1]=4 7534 B15R1.35 CCCCCCCCOc1ccccc1 34a_100000210340_100000210759 [1,1,0,0,0,0|1,0,1]=4 7535 B15R1.35 CCCCCCCCOc1ccccc1 7a_100000210340_100000210759 [1,1,0,0,0,0|1,0,1]=4 7536 B15R1.35 CCCCCCCCSc1ccccc1 62a_100000210759_100000041952 [1,1,0,0,0,0|1,0,1]=4 7537 B15R1.35 CCCCCCCCSc1ccccc1 62a_100000719477_100000210317 [1,1,0,0,0,0|1,0,1]=4 7538 B15R1.35 CCCCCCCNCc1ccccc1 207a_100000229938_100015611070 [1,1,0,0,0,0|1,0,1]=4 7539 B15R1.35 CCCCCCCNCc1ccccc1 2230a_100000229938_100015291786 [1,1,0,0,0,0|1,0,1]=4 7540 B15R1.35 CCCCCCCNCc1ccccc1 2230a_100015324214_100000210681 [1,1,0,0,0,0|1,0,1]=4 7541 B15R1.35 CCCCCCCNCc1ccccc1 270004a_100000229938_100015611070 [1,1,0,0,0,0|1,0,1]=4 7542 B15R1.35 CCCCCCCNCc1ccccc1 34a_100015324214_100000210614 [1,1,0,0,0,0|1,0,1]=4 7543 B15R1.35 CCCCCCCOCc1ccccc1 34a_100000210272_100015291786 [1,1,0,0,0,0|0,0,1]=3 7544 B15R1.35 CCCCCCCOCc1ccccc1 34a_100000210790_100000210614 [1,1,0,0,0,0|0,0,1]=3 7545 B15R1.35 CCCCCCCOCc1ccccc1 7a_100000210272_100000211182 [1,1,0,0,0,0|0,0,1]=3 7546 B15R1.35 CCCCCCCOCc1ccccc1 7a_100000210790_100000210614 [1,1,0,0,0,0|0,0,1]=3 7547 B15R1.35 CCCCCCCOCc1ccccn1 34a_100000210272_100000721315 [1,1,0,0,0,0|1,0,1]=4 7548 B15R1.35 CCCCCCCOCc1ccccn1 7a_100000210272_100000721315 [1,1,0,0,0,0|1,0,1]=4 7549 B15R1.35 CCCCCCCOCc1cccnc1 34a_100000210272_100000733263 [1,1,0,0,0,0|1,0,1]=4 7550 B15R1.35 CCCCCCCOCc1cccnc1 7a_100000210272_100000741622 [1,1,0,0,0,0|1,0,1]=4 7551 B15R1.35 CCCCCCCOCc1ccncc1 7a_100000210272_100015193705 [1,1,0,0,0,0|1,0,1]=4 7552 B15R1.35 CCCCCCCSCc1ccccc1 62a_100000210614_100015291786 [1,1,0,0,0,0|0,1,1]=4 7553 B15R1.35 CCCCCCCSCc1ccccc1 62a_100000211182_100000210316 [1,1,0,0,0,0|0,1,1]=4 7554 B15R1.35 CCCCCCNCCc1ccccc1 2230a_100000106460_100000210314 [1,1,0,0,0,0|1,0,1]=4 7555 B15R1.35 CCCCCCNCCc1ccccc1 2230a_100000210581_100000765856 [1,1,0,0,0,0|1,0,1]=4 7556 B15R1.35 CCCCCCNCCc1ccccc1 34a_100000106460_100000210314 [1,1,0,0,0,0|1,0,1]=4 7557 B15R1.35 CCCCCCNCSc1ccccc1 2230a_100000210581_100011218342 [1,1,0,0,0,0|1,0,1]=4 7558 B15R1.35 CCCCCCOCCc1ccccc1 34a_100000210259_100000765856 [1,1,0,0,0,0|0,0,1]=3 7559 B15R1.35 CCCCCCOCCc1ccccc1 34a_100000210268_100000210314 [1,1,0,0,0,0|0,0,1]=3 7560 B15R1.35 CCCCCCOCCc1ccccc1 7a_100000210259_100000765856 [1,1,0,0,0,0|0,0,1]=3 7561 B15R1.35 CCCCCCOCCc1ccccc1 7a_100000210268_100000210314 [1,1,0,0,0,0|0,0,1]=3 7562 B15R1.35 CCCCCCOCCc1ccccn1 34a_100000210271_100000210314 [1,1,0,0,0,0|1,0,1]=4 7563 B15R1.35 CCCCCCOCCc1ccccn1 7a_100000210259_100015183660 [1,1,0,0,0,0|1,0,1]=4 7564 B15R1.35 CCCCCCOCCc1cccnc1 34a_100011217484_100000210314 [1,1,0,0,0,0|1,0,1]=4 7565 B15R1.35 CCCCCCOCCc1cccnc1 7a_100000210259_200011713674 [1,1,0,0,0,0|1,0,1]=4 7566 B15R1.35 CCCCCCOCCc1ccncc1 34a_100011216225_100000210314 [1,1,0,0,0,0|1,0,1]=4 7567 B15R1.35 CCCCCCOCCc1ccncc1 7a_100000210259_100000723409 [1,1,0,0,0,0|1,0,1]=4 7568 B15R1.35 CCCCCCSCCc1ccccc1 62a_100000210314_100011218657 [1,1,0,0,0,0|0,1,1]=4 7569 B15R1.35 CCCCCCSCCc1ccccc1 62a_100000765856_100000210757 [1,1,0,0,0,0|0,1,1]=4 7570 B15R1.35 CCCCCCSCSc1ccccc1 62a_100000210314_100011218342 [1,1,0,0,0,0|0,1,1]=4 7571 B15R1.35 CCCCCCSCSc1ccccc1 62a_100011218342_100000210757 [1,1,0,0,0,0|0,1,1]=4 7572 B15R1.35 CCCCCNC/C=C/c1ccccc1 2230a_100000209983_100016265936 [1,1,0,0,0,0|1,0,0]=3 7573 B15R1.35 CCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210326 [1,1,0,0,0,0|1,0,0]=3 7574 B15R1.35 CCCCCNC/C=C/c1ccccc1 34a_100020603302_100000718602 [1,1,0,0,0,0|1,0,0]=3 7575 B15R1.35 CCCCCNCC#Cc1ccccc1 2230a_100000209983_100011352542 [1,1,0,0,0,0|1,0,1]=4 7576 B15R1.35 CCCCCNCC#Cc1ccccc1 34a_100000735379_100000718602 [1,1,0,0,0,0|1,0,1]=4 7577 B15R1.35 CCCCCNCC=Cc1ccccc1 270004a_100000209983_100000210105 [1,1,0,0,0,0|1,0,0]=3 7578 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000209983_100000211621 [1,1,0,0,0,0|1,0,1]=4 7579 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000211184_100000210326 [1,1,0,0,0,0|1,0,1]=4 7580 B15R1.35 CCCCCNCCCc1ccccc1 34a_100000211184_100000718602 [1,1,0,0,0,0|1,0,1]=4 7581 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000174943_100000210326 [1,1,0,0,0,0|2,0,0]=4 7582 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000209983_100000184471 [1,1,0,0,0,0|2,0,0]=4 7583 B15R1.35 CCCCCNCCOc1ccccc1 270004a_100000209983_100000758736 [1,1,0,0,0,0|2,0,0]=4 7584 B15R1.35 CCCCCNCCOc1ccccc1 34a_100000174943_100000718602 [1,1,0,0,0,0|2,0,0]=4 7585 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000189519_100000210326 [1,1,0,0,0,0|2,0,0]=4 7586 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000209983_100000246102 [1,1,0,0,0,0|2,0,0]=4 7587 B15R1.35 CCCCCNCOCc1ccccc1 2230a_100000209983_100000763385 [1,1,0,0,0,0|0,0,1]=3 7588 B15R1.35 CCCCCNCSCc1ccccc1 2230a_100000209983_200011217039 [1,1,0,0,0,0|0,1,1]=4 7589 B15R1.35 CCCCCNN=CCc1ccccc1 4a_100000694160_100000209964 [1,1,0,0,0,0|2,0,0]=4 7590 B15R1.35 CCCCCOC/C=C/c1ccccc1 34a_100000210253_100016265936 [1,1,0,0,0,0|1,0,0]=3 7591 B15R1.35 CCCCCOC/C=C/c1ccccc1 34a_100000210256_100000718602 [1,1,0,0,0,0|1,0,0]=3 7592 B15R1.35 CCCCCOC/C=C/c1ccccc1 7a_100000210253_100016265936 [1,1,0,0,0,0|1,0,0]=3 7593 B15R1.35 CCCCCOC/C=C/c1cccnc1 34a_200102594124_100000718602 [1,1,0,0,0,0|2,0,0]=4 7594 B15R1.35 CCCCCOCC#Cc1ccccc1 34a_100000210253_100011352542 [1,1,0,0,0,0|1,0,1]=4 7595 B15R1.35 CCCCCOCC#Cc1ccccc1 34a_100011217464_100000718602 [1,1,0,0,0,0|1,0,1]=4 7596 B15R1.35 CCCCCOCC#Cc1ccccc1 7a_100000210253_100011352542 [1,1,0,0,0,0|1,0,1]=4 7597 B15R1.35 CCCCCOCC#Cc1ccccc1 7a_100011217464_100000210326 [1,1,0,0,0,0|1,0,1]=4 7598 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210253_100000211621 [1,1,0,0,0,0|1,0,1]=4 7599 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210828_100000718602 [1,1,0,0,0,0|1,0,1]=4 7600 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210253_100000211621 [1,1,0,0,0,0|1,0,1]=4 7601 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210828_100000210326 [1,1,0,0,0,0|1,0,1]=4 7602 B15R1.35 CCCCCOCCNc1ccccc1 34a_100000211345_100000718602 [1,1,0,0,0,0|2,0,0]=4 7603 B15R1.35 CCCCCOCCOc1ccccc1 34a_100000210253_100000184471 [1,1,0,0,0,0|2,0,0]=4 7604 B15R1.35 CCCCCOCCOc1ccccc1 34a_100000210260_100000718602 [1,1,0,0,0,0|2,0,0]=4 7605 B15R1.35 CCCCCOCCOc1ccccc1 7a_100000210253_100000184471 [1,1,0,0,0,0|2,0,0]=4 7606 B15R1.35 CCCCCOCCOc1ccccc1 7a_100000210260_100000210326 [1,1,0,0,0,0|2,0,0]=4 7607 B15R1.35 CCCCCOCCSc1ccccc1 34a_100000210253_100000246102 [1,1,0,0,0,0|2,0,0]=4 7608 B15R1.35 CCCCCOCCSc1ccccc1 7a_100000210253_100000246102 [1,1,0,0,0,0|2,0,0]=4 7609 B15R1.35 CCCCCOCCSc1ccccc1 7a_100000230494_100000210326 [1,1,0,0,0,0|2,0,0]=4 7610 B15R1.35 CCCCCOCOCc1ccccc1 34a_100000210253_100000763385 [1,1,0,0,0,0|0,0,1]=3 7611 B15R1.35 CCCCCOCSCc1ccccc1 34a_100000210253_200011217039 [1,1,0,0,0,0|0,1,1]=4 7612 B15R1.35 CCCCCSC/C=C/c1ccccc1 62a_100000210326_100016265936 [1,1,0,0,0,0|1,0,0]=3 7613 B15R1.35 CCCCCSC/C=C/c1ccccc1 62a_100016265936_100000210326 [1,1,0,0,0,0|1,0,0]=3 7614 B15R1.35 CCCCCSCC#Cc1ccccc1 62a_100000210326_100011352542 [1,1,0,0,0,0|1,0,1]=4 7615 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000210326_100000211621 [1,1,0,0,0,0|1,0,1]=4 7616 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000211621_100000210326 [1,1,0,0,0,0|1,0,1]=4 7617 B15R1.35 CCCCCSCCOc1ccccc1 62a_100000184471_100000210326 [1,1,0,0,0,0|2,0,0]=4 7618 B15R1.35 CCCCCSCCOc1ccccc1 62a_100000210326_100000184471 [1,1,0,0,0,0|2,0,0]=4 7619 B15R1.35 CCCCCSCCSc1ccccc1 62a_100000210326_100000246102 [1,1,0,0,0,0|2,0,0]=4 7620 B15R1.35 CCCCCSCCSc1ccccc1 62a_100000246102_100000210326 [1,1,0,0,0,0|2,0,0]=4 7621 B15R1.35 CCCCCSCOCc1ccccc1 62a_100000210326_100000763385 [1,1,0,0,0,0|0,0,1]=3 7622 B15R1.35 CCCCCSCOCc1ccccc1 62a_100000763385_100000210326 [1,1,0,0,0,0|0,0,1]=3 7623 B15R1.35 CCCCCSCSCc1ccccc1 62a_100000210326_200011217039 [1,1,0,0,0,0|0,1,1]=4 7624 B15R1.35 CCCCCSCSCc1ccccc1 62a_200011217039_100000210326 [1,1,0,0,0,0|0,1,1]=4 7625 B15R1.35 CCCCNCCCCc1ccccc1 2230a_100000102301_100000701786 [1,1,0,0,0,0|1,0,1]=4 7626 B15R1.35 CCCCNCCCCc1ccccc1 2230a_100015280158_100000210211 [1,1,0,0,0,0|1,0,1]=4 7627 B15R1.35 CCCCNCCCCc1ccccc1 34a_100015280158_100000210210 [1,1,0,0,0,0|1,0,1]=4 7628 B15R1.35 CCCCNCCCCc1ccccc1 7a_106832991798_100000701786 [1,1,0,0,0,0|1,0,1]=4 7629 B15R1.35 CCCCNCCCOc1ccccc1 2230a_100000102301_100000199009 [1,1,0,0,0,0|2,0,0]=4 7630 B15R1.35 CCCCNCCCOc1ccccc1 2230a_100000216521_100000210211 [1,1,0,0,0,0|2,0,0]=4 7631 B15R1.35 CCCCNCCCOc1ccccc1 34a_100000216521_100000210210 [1,1,0,0,0,0|2,0,0]=4 7632 B15R1.35 CCCCNCCCOc1ccccc1 7a_106832991798_100000199009 [1,1,0,0,0,0|2,0,0]=4 7633 B15R1.35 CCCCNCCCSc1ccccc1 2230a_100000102301_200011203293 [1,1,0,0,0,0|2,0,0]=4 7634 B15R1.35 CCCCNCCCSc1ccccc1 2230a_100000184639_100000210211 [1,1,0,0,0,0|2,0,0]=4 7635 B15R1.35 CCCCNCCCSc1ccccc1 7a_106832991798_200011203293 [1,1,0,0,0,0|2,0,0]=4 7636 B15R1.35 CCCCNCCOCc1ccccc1 2230a_100000102301_100000234347 [1,1,0,0,0,0|0,0,1]=3 7637 B15R1.35 CCCCNCCOCc1ccccc1 2230a_100000753106_100000210211 [1,1,0,0,0,0|0,0,1]=3 7638 B15R1.35 CCCCNCCOCc1ccccc1 34a_100000753106_100000210210 [1,1,0,0,0,0|0,0,1]=3 7639 B15R1.35 CCCCNCCOCc1ccccc1 7a_106832991798_100000234347 [1,1,0,0,0,0|0,0,1]=3 7640 B15R1.35 CCCCNCCSCc1ccccc1 2230a_100000102301_200011297719 [1,1,0,0,0,0|0,1,1]=4 7641 B15R1.35 CCCCNCCSCc1ccccc1 2230a_100000189534_100000210211 [1,1,0,0,0,0|0,1,1]=4 7642 B15R1.35 CCCCNCCSCc1ccccc1 34a_100000189534_100000210210 [1,1,0,0,0,0|0,1,1]=4 7643 B15R1.35 CCCCNCCSCc1ccccc1 7a_100000189534_100000210211 [1,1,0,0,0,0|0,1,1]=4 7644 B15R1.35 CCCCOCCC#Cc1ccccc1 34a_100000760064_100000210210 [1,1,0,0,0,0|1,0,1]=4 7645 B15R1.35 CCCCOCCC#Cc1ccccc1 7a_100000760064_100000210211 [1,1,0,0,0,0|1,0,1]=4 7646 B15R1.35 CCCCOCCCCc1ccccc1 34a_100000210227_100000701786 [1,1,0,0,0,0|1,0,1]=4 7647 B15R1.35 CCCCOCCCCc1ccccc1 34a_100000703073_100000210210 [1,1,0,0,0,0|1,0,1]=4 7648 B15R1.35 CCCCOCCCCc1ccccc1 7a_100000210227_100000701786 [1,1,0,0,0,0|1,0,1]=4 7649 B15R1.35 CCCCOCCCCc1ccccc1 7a_100000703073_100000210211 [1,1,0,0,0,0|1,0,1]=4 7650 B15R1.35 CCCCOCCCNc1ccccc1 34a_100000212590_100000210210 [1,1,0,0,0,0|2,0,0]=4 7651 B15R1.35 CCCCOCCCOc1ccccc1 34a_100000210227_100000199009 [1,1,0,0,0,0|2,0,0]=4 7652 B15R1.35 CCCCOCCCOc1ccccc1 34a_100011215863_100000210210 [1,1,0,0,0,0|2,0,0]=4 7653 B15R1.35 CCCCOCCCOc1ccccc1 7a_100000210227_100000199009 [1,1,0,0,0,0|2,0,0]=4 7654 B15R1.35 CCCCOCCCOc1ccccc1 7a_100011215863_100000210211 [1,1,0,0,0,0|2,0,0]=4 7655 B15R1.35 CCCCOCCCSc1ccccc1 34a_100000210227_200011203293 [1,1,0,0,0,0|2,0,0]=4 7656 B15R1.35 CCCCOCCCSc1ccccc1 7a_100000210227_200011203293 [1,1,0,0,0,0|2,0,0]=4 7657 B15R1.35 CCCCOCCNCc1ccccc1 2230a_100015324214_100000743108 [1,1,0,0,0,0|1,0,1]=4 7658 B15R1.35 CCCCOCCNCc1ccccc1 34a_100000180844_100000210210 [1,1,0,0,0,0|1,0,1]=4 7659 B15R1.35 CCCCOCCNCc1ccccc1 34a_100015324214_100000743108 [1,1,0,0,0,0|1,0,1]=4 7660 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210227_100000234347 [1,1,0,0,0,0|0,0,1]=3 7661 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210238_100015291786 [1,1,0,0,0,0|0,0,1]=3 7662 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210790_100000743108 [1,1,0,0,0,0|0,0,1]=3 7663 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000759325_100000210210 [1,1,0,0,0,0|0,0,1]=3 7664 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210227_100000234347 [1,1,0,0,0,0|0,0,1]=3 7665 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210238_100000211182 [1,1,0,0,0,0|0,0,1]=3 7666 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210790_100000743108 [1,1,0,0,0,0|0,0,1]=3 7667 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000759325_100000210211 [1,1,0,0,0,0|0,0,1]=3 7668 B15R1.35 CCCCOCCOCc1ccccn1 34a_100000210238_100000721315 [1,1,0,0,0,0|1,0,1]=4 7669 B15R1.35 CCCCOCCOCc1ccccn1 7a_100000210238_100000721315 [1,1,0,0,0,0|1,0,1]=4 7670 B15R1.35 CCCCOCCOCc1cccnc1 34a_100000210238_100000733263 [1,1,0,0,0,0|1,0,1]=4 7671 B15R1.35 CCCCOCCOCc1cccnc1 7a_100000210238_100000741622 [1,1,0,0,0,0|1,0,1]=4 7672 B15R1.35 CCCCOCCOCc1ccncc1 7a_100000210238_100015193705 [1,1,0,0,0,0|1,0,1]=4 7673 B15R1.35 CCCCOCCSCc1ccccc1 34a_100000210227_200011297719 [1,1,0,0,0,0|0,1,1]=4 7674 B15R1.35 CCCCOCCSCc1ccccc1 34a_100011205989_100000210210 [1,1,0,0,0,0|0,1,1]=4 7675 B15R1.35 CCCCOCCSCc1ccccc1 62a_100000211182_100000743108 [1,1,0,0,0,0|0,1,1]=4 7676 B15R1.35 CCCCOCCSCc1ccccc1 62a_100000743108_100015291786 [1,1,0,0,0,0|0,1,1]=4 7677 B15R1.35 CCCCOCCSCc1ccccc1 7a_100011205989_100000210211 [1,1,0,0,0,0|0,1,1]=4 7678 B15R1.35 CCCCOCOCCc1ccccc1 34a_100000210268_100011995733 [1,1,0,0,0,0|1,0,1]=4 7679 B15R1.35 CCCCSCCCCc1ccccc1 62a_100000210211_100000701786 [1,1,0,0,0,0|1,0,1]=4 7680 B15R1.35 CCCCSCCCCc1ccccc1 62a_100000701786_100000210210 [1,1,0,0,0,0|1,0,1]=4 7681 B15R1.35 CCCCSCCCOc1ccccc1 62a_100000199009_100000210210 [1,1,0,0,0,0|2,0,0]=4 7682 B15R1.35 CCCCSCCCOc1ccccc1 62a_100000210211_100000199009 [1,1,0,0,0,0|2,0,0]=4 7683 B15R1.35 CCCCSCCCSc1ccccc1 62a_100000210211_200011203293 [1,1,0,0,0,0|2,0,0]=4 7684 B15R1.35 CCCCSCCCSc1ccccc1 62a_200011203293_100000210210 [1,1,0,0,0,0|2,0,0]=4 7685 B15R1.35 CCCCSCCNCc1ccccc1 207a_100025743550_100015611070 [1,1,0,0,0,0|1,0,1]=4 7686 B15R1.35 CCCCSCCNCc1ccccc1 2230a_100025743550_100015291786 [1,1,0,0,0,0|1,0,1]=4 7687 B15R1.35 CCCCSCCNCc1ccccc1 270004a_100025743550_100015611070 [1,1,0,0,0,0|1,0,1]=4 7688 B15R1.35 CCCCSCCOCc1ccccc1 34a_200000230436_100015291786 [1,1,0,0,0,0|0,0,1]=3 7689 B15R1.35 CCCCSCCOCc1ccccc1 62a_100000210211_100000234347 [1,1,0,0,0,0|0,0,1]=3 7690 B15R1.35 CCCCSCCOCc1ccccc1 62a_100000234347_100000210210 [1,1,0,0,0,0|0,0,1]=3 7691 B15R1.35 CCCCSCCOCc1ccccc1 7a_200000230436_100000211182 [1,1,0,0,0,0|0,0,1]=3 7692 B15R1.35 CCCCSCCOCc1ccccn1 34a_200000230436_100000721315 [1,1,0,0,0,0|1,0,1]=4 7693 B15R1.35 CCCCSCCOCc1ccccn1 7a_200000230436_100000721315 [1,1,0,0,0,0|1,0,1]=4 7694 B15R1.35 CCCCSCCOCc1cccnc1 34a_200000230436_100000733263 [1,1,0,0,0,0|1,0,1]=4 7695 B15R1.35 CCCCSCCOCc1cccnc1 7a_200000230436_100000741622 [1,1,0,0,0,0|1,0,1]=4 7696 B15R1.35 CCCCSCCOCc1ccncc1 7a_200000230436_100015193705 [1,1,0,0,0,0|1,0,1]=4 7697 B15R1.35 CCCCSCCSCc1ccccc1 62a_100000210211_200011297719 [1,1,0,0,0,0|0,1,1]=4 7698 B15R1.35 CCCCSCCSCc1ccccc1 62a_200011297719_100000210210 [1,1,0,0,0,0|0,1,1]=4 7699 B15R1.35 CCCNCCCCCc1ccccc1 2230a_100000750932_100000210303 [1,1,0,0,0,0|1,0,1]=4 7700 B15R1.35 CCCNCCCCCc1ccccc1 34a_100000750932_100000210303 [1,1,0,0,0,0|1,0,1]=4 7701 B15R1.35 CCCNCCCOCc1ccccc1 2230a_200000206031_100000210303 [1,1,0,0,0,0|0,0,1]=3 7702 B15R1.35 CCCNCCCOCc1ccccc1 34a_200000206031_100000210303 [1,1,0,0,0,0|0,0,1]=3 7703 B15R1.35 CCCOCCCC#Cc1ccccc1 34a_100011217234_100000210303 [1,1,0,0,0,0|1,0,1]=4 7704 B15R1.35 CCCOCCCC#Cc1ccccc1 7a_100011217234_100000210303 [1,1,0,0,0,0|1,0,1]=4 7705 B15R1.35 CCCOCCCCCc1ccccc1 34a_100000210258_200011217138 [1,1,0,0,0,0|1,0,1]=4 7706 B15R1.35 CCCOCCCCCc1ccccc1 34a_200011219639_100000210303 [1,1,0,0,0,0|1,0,1]=4 7707 B15R1.35 CCCOCCCCCc1ccccc1 7a_200011219639_100000210303 [1,1,0,0,0,0|1,0,1]=4 7708 B15R1.35 CCCOCCCCOc1ccccc1 34a_100000210258_100011215240 [1,1,0,0,0,0|2,0,0]=4 7709 B15R1.35 CCCOCCCCOc1ccccc1 34a_100000752354_100000210303 [1,1,0,0,0,0|2,0,0]=4 7710 B15R1.35 CCCOCCCCOc1ccccc1 7a_100000752354_100000210303 [1,1,0,0,0,0|2,0,0]=4 7711 B15R1.35 CCCOCCCNCc1ccccc1 207a_100011217757_100015611070 [1,1,0,0,0,0|1,0,1]=4 7712 B15R1.35 CCCOCCCNCc1ccccc1 2230a_100011217757_100015291786 [1,1,0,0,0,0|1,0,1]=4 7713 B15R1.35 CCCOCCCNCc1ccccc1 270004a_100011217757_100015611070 [1,1,0,0,0,0|1,0,1]=4 7714 B15R1.35 CCCOCCCNCc1ccccc1 34a_100000185501_100000210303 [1,1,0,0,0,0|1,0,1]=4 7715 B15R1.35 CCCOCCCNCc1ccccc1 34a_100011217757_100015291786 [1,1,0,0,0,0|1,0,1]=4 7716 B15R1.35 CCCOCCCOCc1ccccc1 34a_100000210258_100011215529 [1,1,0,0,0,0|0,0,1]=3 7717 B15R1.35 CCCOCCCOCc1ccccc1 34a_100000691849_100000210303 [1,1,0,0,0,0|0,0,1]=3 7718 B15R1.35 CCCOCCCOCc1ccccc1 7a_100000691849_100000210303 [1,1,0,0,0,0|0,0,1]=3 7719 B15R1.35 CCCOCCOCCc1ccccc1 34a_100000210268_100011215938 [1,1,0,0,0,0|1,0,1]=4 7720 B15R1.35 CCCOCCOCCc1ccccc1 34a_100000752267_100000765856 [1,1,0,0,0,0|1,0,1]=4 7721 B15R1.35 CCCOCCOCCc1ccccc1 7a_100000210268_100011215938 [1,1,0,0,0,0|1,0,1]=4 7722 B15R1.35 CCCOCCOCCc1ccccc1 7a_100000752267_100000765856 [1,1,0,0,0,0|1,0,1]=4 7723 B15R1.35 CCCSCCCCCc1ccccc1 62a_100000210303_200011217138 [1,1,0,0,0,0|1,0,1]=4 7724 B15R1.35 CCCSCCCCCc1ccccc1 62a_200011217138_100000210303 [1,1,0,0,0,0|1,0,1]=4 7725 B15R1.35 CCCSCCCCOc1ccccc1 62a_100000210303_100011215240 [1,1,0,0,0,0|2,0,0]=4 7726 B15R1.35 CCCSCCCCOc1ccccc1 62a_100011215240_100000210303 [1,1,0,0,0,0|2,0,0]=4 7727 B15R1.35 CCCSCCCOCc1ccccc1 62a_100000210303_100011215529 [1,1,0,0,0,0|0,0,1]=3 7728 B15R1.35 CCCSCCCOCc1ccccc1 62a_100011215529_100000210303 [1,1,0,0,0,0|0,0,1]=3 7729 B15R1.35 CCCSCCOCCc1ccccc1 34a_200000230433_100000765856 [1,1,0,0,0,0|1,0,1]=4 7730 B15R1.35 CCCSCCOCCc1ccccc1 7a_200000230433_100000765856 [1,1,0,0,0,0|1,0,1]=4 7731 B15R1.35 CCNCCCCCCc1ccccc1 2230a_100015525214_100011218729 [1,1,0,0,0,0|1,0,1]=4 7732 B15R1.35 CCNCCCCCOc1ccccc1 2230a_100015525214_200011777167 [1,1,0,0,0,0|2,0,0]=4 7733 B15R1.35 CCNCCCCOCc1ccccc1 2230a_100000748060_100000210202 [1,1,0,0,0,0|0,0,1]=3 7734 B15R1.35 CCNCCCCOCc1ccccc1 2230a_100015525214_100011219843 [1,1,0,0,0,0|0,0,1]=3 7735 B15R1.35 CCNCCCCOCc1ccccc1 34a_100000748060_100000210202 [1,1,0,0,0,0|0,0,1]=3 7736 B15R1.35 CCOCCCCCCc1ccccc1 34a_100011215581_100000210202 [1,1,0,0,0,0|1,0,1]=4 7737 B15R1.35 CCOCCCCCCc1ccccc1 34a_100121572206_100011218729 [1,1,0,0,0,0|1,0,1]=4 7738 B15R1.35 CCOCCCCCCc1ccccc1 7a_100011215581_100000210202 [1,1,0,0,0,0|1,0,1]=4 7739 B15R1.35 CCOCCCCCOc1ccccc1 34a_100121572206_200011777167 [1,1,0,0,0,0|2,0,0]=4 7740 B15R1.35 CCOCCCCNCc1ccccc1 34a_100000186360_100000210202 [1,1,0,0,0,0|1,0,1]=4 7741 B15R1.35 CCOCCCCOCc1ccccc1 34a_100011215074_100000210202 [1,1,0,0,0,0|0,0,1]=3 7742 B15R1.35 CCOCCCCOCc1ccccc1 34a_100121572206_100011219843 [1,1,0,0,0,0|0,0,1]=3 7743 B15R1.35 CCOCCCCOCc1ccccc1 7a_100011215074_100000210202 [1,1,0,0,0,0|0,0,1]=3 7744 B15R1.35 CCOCCCOCCc1ccccc1 34a_100000210268_100012232248 [1,1,0,0,0,0|1,0,1]=4 7745 B15R1.35 CCOCCCOCCc1ccccc1 34a_100000757476_100000765856 [1,1,0,0,0,0|1,0,1]=4 7746 B15R1.35 CCOCCCOCCc1ccccc1 7a_100000210268_100012232248 [1,1,0,0,0,0|1,0,1]=4 7747 B15R1.35 CCOCCCOCCc1ccccc1 7a_100000757476_100000765856 [1,1,0,0,0,0|1,0,1]=4 7748 B15R1.35 CCOCCNC/C=C/c1ccccc1 2230a_100020603302_100011215890 [1,1,0,0,0,0|2,0,0]=4 7749 B15R1.35 CCOCCNC/C=C/c1ccccc1 2230a_102516460346_100016265936 [1,1,0,0,0,0|2,0,0]=4 7750 B15R1.35 CCOCCNC/C=C/c1ccccc1 34a_100020603302_100000210147 [1,1,0,0,0,0|2,0,0]=4 7751 B15R1.35 CCOCCNC/C=C/c1ccccc1 34a_100020603566_100000210202 [1,1,0,0,0,0|2,0,0]=4 7752 B15R1.35 CCOCCNC/C=C/c1ccccc1 34a_102516460346_100016265936 [1,1,0,0,0,0|2,0,0]=4 7753 B15R1.35 CCOCCNCC=Cc1ccccc1 270004a_102516460346_100000210105 [1,1,0,0,0,0|2,0,0]=4 7754 B15R1.35 CCOCCNCOCc1ccccc1 2230a_102516460346_100000763385 [1,1,0,0,0,0|1,0,1]=4 7755 B15R1.35 CCOCCNCOCc1ccccc1 34a_102516460346_100000763385 [1,1,0,0,0,0|1,0,1]=4 7756 B15R1.35 CCOCCOC/C=C/c1ccccc1 34a_100000210136_100016265936 [1,1,0,0,0,0|2,0,0]=4 7757 B15R1.35 CCOCCOC/C=C/c1ccccc1 34a_100000210256_100000210147 [1,1,0,0,0,0|2,0,0]=4 7758 B15R1.35 CCOCCOC/C=C/c1ccccc1 7a_100000210136_100016265936 [1,1,0,0,0,0|2,0,0]=4 7759 B15R1.35 CCOCCOCOCc1ccccc1 34a_100000210136_100000763385 [1,1,0,0,0,0|1,0,1]=4 7760 B15R1.35 CCOCCSC/C=C/c1ccccc1 62a_100000210147_100016265936 [1,1,0,0,0,0|2,0,0]=4 7761 B15R1.35 CCOCCSC/C=C/c1ccccc1 62a_100016265936_100011215890 [1,1,0,0,0,0|2,0,0]=4 7762 B15R1.35 CCOCCSCOCc1ccccc1 62a_100000210147_100000763385 [1,1,0,0,0,0|1,0,1]=4 7763 B15R1.35 CCOCCSCOCc1ccccc1 62a_100000763385_100011215890 [1,1,0,0,0,0|1,0,1]=4 7764 B15R1.35 CCOCSCCOCc1ccccc1 62a_100000234347_100000739092 [1,1,0,0,0,0|1,0,1]=4 7765 B15R1.35 CCOCSCCOCc1ccccc1 62a_100000739092_100000234347 [1,1,0,0,0,0|1,0,1]=4 7766 B15R1.35 CCSCCCCCCc1ccccc1 62a_100000210202_100011218729 [1,1,0,0,0,0|1,0,1]=4 7767 B15R1.35 CCSCCCCCCc1ccccc1 62a_100011218729_100000210202 [1,1,0,0,0,0|1,0,1]=4 7768 B15R1.35 CCSCCCCCOc1ccccc1 62a_100000210202_200011777167 [1,1,0,0,0,0|2,0,0]=4 7769 B15R1.35 CCSCCCCCOc1ccccc1 62a_200011777167_100000210202 [1,1,0,0,0,0|2,0,0]=4 7770 B15R1.35 CCSCCCCOCc1ccccc1 62a_100000210202_100011219843 [1,1,0,0,0,0|0,0,1]=3 7771 B15R1.35 CCSCCCCOCc1ccccc1 62a_100011219843_100000210202 [1,1,0,0,0,0|0,0,1]=3 7772 B15R1.35 CCSCCCOCCc1ccccc1 34a_100011216438_100000765856 [1,1,0,0,0,0|1,0,1]=4 7773 B15R1.35 CCSCCCOCCc1ccccc1 7a_100011216438_100000765856 [1,1,0,0,0,0|1,0,1]=4 7774 B15R1.35 CCSCCNC/C=C/c1ccccc1 2230a_100000106463_100016265936 [1,1,0,0,0,0|2,0,0]=4 7775 B15R1.35 CCSCCNC/C=C/c1ccccc1 2230a_100020603302_100000757381 [1,1,0,0,0,0|2,0,0]=4 7776 B15R1.35 CCSCCNC/C=C/c1ccccc1 34a_100020603302_100000757381 [1,1,0,0,0,0|2,0,0]=4 7777 B15R1.35 CCSCCNCC=Cc1ccccc1 270004a_100000106463_100000210105 [1,1,0,0,0,0|2,0,0]=4 7778 B15R1.35 CCSCCNCOCc1ccccc1 2230a_100000106463_100000763385 [1,1,0,0,0,0|1,0,1]=4 7779 B15R1.35 CCSCCOC/C=C/c1ccccc1 34a_100000210256_100000757381 [1,1,0,0,0,0|2,0,0]=4 7780 B15R1.35 CCSCCOC/C=C/c1ccccc1 34a_100000212035_100016265936 [1,1,0,0,0,0|2,0,0]=4 7781 B15R1.35 CCSCCOC/C=C/c1ccccc1 7a_100000212035_100016265936 [1,1,0,0,0,0|2,0,0]=4 7782 B15R1.35 CCSCCOCOCc1ccccc1 34a_100000212035_100000763385 [1,1,0,0,0,0|1,0,1]=4 7783 B15R1.35 CCSCCSC/C=C/c1ccccc1 62a_100000757381_100016265936 [1,1,0,0,0,0|2,0,0]=4 7784 B15R1.35 CCSCCSC/C=C/c1ccccc1 62a_100016265936_100000757381 [1,1,0,0,0,0|2,0,0]=4 7785 B15R1.35 CCSCCSCOCc1ccccc1 62a_100000757381_100000763385 [1,1,0,0,0,0|1,0,1]=4 7786 B15R1.35 CCSCCSCOCc1ccccc1 62a_100000763385_100000757381 [1,1,0,0,0,0|1,0,1]=4 7787 B15R1.35 CNCCCCCCCc1ccccc1 2230a_106832991635_200009813472 [1,1,0,0,0,0|1,0,1]=4 7788 B15R1.35 CNCCCCCCCc1ccccc1 34a_100102657272_200009813472 [1,1,0,0,0,0|1,0,1]=4 7789 B15R1.35 CNCCCCCCCc1ccccc1 7a_106832991635_200009813472 [1,1,0,0,0,0|1,0,1]=4 7790 B15R1.35 CNCCCCCCOc1ccccc1 2230a_106832991635_200012047174 [1,1,0,0,0,0|2,0,0]=4 7791 B15R1.35 CNCCCCCCOc1ccccc1 34a_100102657272_200012047174 [1,1,0,0,0,0|2,0,0]=4 7792 B15R1.35 CNCCCCCCOc1ccccc1 7a_106832991635_200012047174 [1,1,0,0,0,0|2,0,0]=4 7793 B15R1.35 CNCCCCCOCc1ccccc1 2230a_106832991635_100012032903 [1,1,0,0,0,0|0,0,1]=3 7794 B15R1.35 CNCCCCCOCc1ccccc1 34a_100000722520_100015291786 [1,1,0,0,0,0|0,0,1]=3 7795 B15R1.35 CNCCCCCOCc1ccccc1 34a_100102657272_100012032903 [1,1,0,0,0,0|0,0,1]=3 7796 B15R1.35 CNCCCCCOCc1ccccc1 7a_106832991635_100012032903 [1,1,0,0,0,0|0,0,1]=3 7797 B15R1.35 CNCCCCCOCc1ccccn1 34a_100000722520_100000721315 [1,1,0,0,0,0|1,0,1]=4 7798 B15R1.35 CNCCCCCOCc1cccnc1 34a_100000722520_100000733263 [1,1,0,0,0,0|1,0,1]=4 7799 B15R1.35 CNCCCOC/C=C/c1ccccc1 34a_100000213112_100016265936 [1,1,0,0,0,0|2,0,0]=4 7800 B15R1.35 CNCCCOCOCc1ccccc1 34a_100000213112_100000763385 [1,1,0,0,0,0|1,0,1]=4 7801 B15R1.35 CNCCOCCOCc1ccccc1 2230a_100012282123_200000210301 [1,1,0,0,0,0|1,0,1]=4 7802 B15R1.35 CNCCOCCOCc1ccccc1 2230a_106832991635_100010883073 [1,1,0,0,0,0|1,0,1]=4 7803 B15R1.35 CNCCOCCOCc1ccccc1 34a_100000228057_100015291786 [1,1,0,0,0,0|1,0,1]=4 7804 B15R1.35 CNCCOCCOCc1ccccc1 34a_100012282123_200000210301 [1,1,0,0,0,0|1,0,1]=4 7805 B15R1.35 CNCCOCCOCc1ccccc1 34a_100102657272_100010883073 [1,1,0,0,0,0|1,0,1]=4 7806 B15R1.35 CNCCOCCOCc1ccccc1 7a_106832991635_100010883073 [1,1,0,0,0,0|1,0,1]=4 7807 B15R1.35 COCCCCCCCc1ccccc1 34a_100000042756_200000210301 [1,1,0,0,0,0|1,0,1]=4 7808 B15R1.35 COCCCCCCCc1ccccc1 34a_100138415774_200009813472 [1,1,0,0,0,0|1,0,1]=4 7809 B15R1.35 COCCCCCCCc1ccccc1 7a_100000042756_200000210301 [1,1,0,0,0,0|1,0,1]=4 7810 B15R1.35 COCCCCCCNc1ccccc1 34a_100000106764_100011998445 [1,1,0,0,0,0|2,0,0]=4 7811 B15R1.35 COCCCCCCOc1ccccc1 34a_100000210340_100011998445 [1,1,0,0,0,0|2,0,0]=4 7812 B15R1.35 COCCCCCCOc1ccccc1 34a_100138415774_200012047174 [1,1,0,0,0,0|2,0,0]=4 7813 B15R1.35 COCCCCCCOc1ccccc1 7a_100000210340_100011998445 [1,1,0,0,0,0|2,0,0]=4 7814 B15R1.35 COCCCCCCSc1ccccc1 62a_100000719477_100011998445 [1,1,0,0,0,0|2,0,0]=4 7815 B15R1.35 COCCCCCCSc1ccccc1 62a_100011998445_100000041952 [1,1,0,0,0,0|2,0,0]=4 7816 B15R1.35 COCCCCCNCc1ccccc1 207a_100000747528_100015611070 [1,1,0,0,0,0|1,0,1]=4 7817 B15R1.35 COCCCCCNCc1ccccc1 2230a_100000747528_100015291786 [1,1,0,0,0,0|1,0,1]=4 7818 B15R1.35 COCCCCCNCc1ccccc1 270004a_100000747528_100015611070 [1,1,0,0,0,0|1,0,1]=4 7819 B15R1.35 COCCCCCNCc1ccccc1 34a_100000747528_100015291786 [1,1,0,0,0,0|1,0,1]=4 7820 B15R1.35 COCCCCCNCc1ccccc1 34a_100011629535_200000210301 [1,1,0,0,0,0|1,0,1]=4 7821 B15R1.35 COCCCCCOCc1ccccc1 34a_100011215045_200000210301 [1,1,0,0,0,0|0,0,1]=3 7822 B15R1.35 COCCCCCOCc1ccccc1 34a_100138415774_100012032903 [1,1,0,0,0,0|0,0,1]=3 7823 B15R1.35 COCCCCCOCc1ccccc1 7a_100011215045_200000210301 [1,1,0,0,0,0|0,0,1]=3 7824 B15R1.35 COCCCCOCCc1ccccc1 34a_100000210268_100000755781 [1,1,0,0,0,0|1,0,1]=4 7825 B15R1.35 COCCCCOCCc1ccccc1 34a_100000740925_100000765856 [1,1,0,0,0,0|1,0,1]=4 7826 B15R1.35 COCCCCOCCc1ccccc1 7a_100000210268_100000730899 [1,1,0,0,0,0|1,0,1]=4 7827 B15R1.35 COCCCNC/C=C/c1ccccc1 2230a_100020603302_100000740836 [1,1,0,0,0,0|2,0,0]=4 7828 B15R1.35 COCCCNC/C=C/c1ccccc1 34a_100020603302_100000740836 [1,1,0,0,0,0|2,0,0]=4 7829 B15R1.35 COCCCNC/C=C/c1ccccc1 34a_100020603576_200000210301 [1,1,0,0,0,0|2,0,0]=4 7830 B15R1.35 COCCCNC/C=C/c1ccccc1 34a_100150723488_100016265936 [1,1,0,0,0,0|2,0,0]=4 7831 B15R1.35 COCCCNCC=Cc1ccccc1 270004a_100150723488_100000210105 [1,1,0,0,0,0|2,0,0]=4 7832 B15R1.35 COCCCNCOCc1ccccc1 34a_100150723488_100000763385 [1,1,0,0,0,0|1,0,1]=4 7833 B15R1.35 COCCCOC/C=C/c1ccccc1 34a_100000210256_100000740836 [1,1,0,0,0,0|2,0,0]=4 7834 B15R1.35 COCCCOC/C=C/c1ccccc1 34a_100000740835_100016265936 [1,1,0,0,0,0|2,0,0]=4 7835 B15R1.35 COCCCOCOCc1ccccc1 34a_100000740835_100000763385 [1,1,0,0,0,0|1,0,1]=4 7836 B15R1.35 COCCCSC/C=C/c1ccccc1 62a_100000709357_100016265936 [1,1,0,0,0,0|2,0,0]=4 7837 B15R1.35 COCCCSC/C=C/c1ccccc1 62a_100016265936_100000709357 [1,1,0,0,0,0|2,0,0]=4 7838 B15R1.35 COCCCSCOCc1ccccc1 62a_100000709357_100000763385 [1,1,0,0,0,0|1,0,1]=4 7839 B15R1.35 COCCCSCOCc1ccccc1 62a_100000763385_100000709357 [1,1,0,0,0,0|1,0,1]=4 7840 B15R1.35 COCCNCCOCc1ccccc1 2230a_100000209980_100000234347 [1,1,0,0,0,0|1,0,1]=4 7841 B15R1.35 COCCNCCOCc1ccccc1 2230a_100000753106_100011201679 [1,1,0,0,0,0|1,0,1]=4 7842 B15R1.35 COCCNCCOCc1ccccc1 34a_100000753106_100011201679 [1,1,0,0,0,0|1,0,1]=4 7843 B15R1.35 COCCOCCOCc1ccccc1 34a_100000037723_200000210301 [1,1,0,0,0,0|1,0,1]=4 7844 B15R1.35 COCCOCCOCc1ccccc1 34a_100000210237_100000234347 [1,1,0,0,0,0|1,0,1]=4 7845 B15R1.35 COCCOCCOCc1ccccc1 34a_100000210790_100000695917 [1,1,0,0,0,0|1,0,1]=4 7846 B15R1.35 COCCOCCOCc1ccccc1 34a_100000759325_100011201679 [1,1,0,0,0,0|1,0,1]=4 7847 B15R1.35 COCCOCCOCc1ccccc1 34a_100011215163_100015291786 [1,1,0,0,0,0|1,0,1]=4 7848 B15R1.35 COCCOCCOCc1ccccc1 34a_100138415774_100010883073 [1,1,0,0,0,0|1,0,1]=4 7849 B15R1.35 COCCOCCOCc1ccccc1 7a_100000037723_200000210301 [1,1,0,0,0,0|1,0,1]=4 7850 B15R1.35 COCCOCCOCc1ccccc1 7a_100000210790_100000695917 [1,1,0,0,0,0|1,0,1]=4 7851 B15R1.35 COCCOCCOCc1ccccc1 7a_100000759325_100000233755 [1,1,0,0,0,0|1,0,1]=4 7852 B15R1.35 COCCOCCOCc1ccccc1 7a_100011215163_100000211182 [1,1,0,0,0,0|1,0,1]=4 7853 B15R1.35 COCCSCCOCc1ccccc1 62a_100000233755_100000234347 [1,1,0,0,0,0|1,0,1]=4 7854 B15R1.35 COCCSCCOCc1ccccc1 62a_100000234347_100000233755 [1,1,0,0,0,0|1,0,1]=4 7855 B15R1.35 COCNCCCOCc1ccccc1 2230a_200000206031_100000766300 [1,1,0,0,0,0|1,0,1]=4 7856 B15R1.35 COCSCCCOCc1ccccc1 62a_100000766300_100011215529 [1,1,0,0,0,0|1,0,1]=4 7857 B15R1.35 COCSCCCOCc1ccccc1 62a_100011215529_100000766300 [1,1,0,0,0,0|1,0,1]=4 7858 B15R1.35 CSCCCCCCCc1ccccc1 62a_200000210301_200009813472 [1,1,0,0,0,0|1,0,1]=4 7859 B15R1.35 CSCCCCCCOc1ccccc1 62a_200000210301_200012047174 [1,1,0,0,0,0|2,0,0]=4 7860 B15R1.35 CSCCCCCOCc1ccccc1 62a_100012032903_200000210301 [1,1,0,0,0,0|0,0,1]=3 7861 B15R1.35 CSCCCCCOCc1ccccc1 62a_200000210301_100012032903 [1,1,0,0,0,0|0,0,1]=3 7862 B15R1.35 CSCCCCOCCc1ccccc1 34a_100011217163_100000765856 [1,1,0,0,0,0|1,0,1]=4 7863 B15R1.35 CSCCCCOCCc1ccccc1 7a_100011217163_100000765856 [1,1,0,0,0,0|1,0,1]=4 7864 B15R1.35 CSCCCNC/C=C/c1ccccc1 2230a_100000749238_100016265936 [1,1,0,0,0,0|2,0,0]=4 7865 B15R1.35 CSCCCNCC=Cc1ccccc1 270004a_100000749238_100000210105 [1,1,0,0,0,0|2,0,0]=4 7866 B15R1.35 CSCCCNCOCc1ccccc1 2230a_100000749238_100000763385 [1,1,0,0,0,0|1,0,1]=4 7867 B15R1.35 CSCCCOC/C=C/c1ccccc1 34a_100000690336_100016265936 [1,1,0,0,0,0|2,0,0]=4 7868 B15R1.35 CSCCCOC/C=C/c1ccccc1 7a_100000690336_100016265936 [1,1,0,0,0,0|2,0,0]=4 7869 B15R1.35 CSCCCOCOCc1ccccc1 34a_100000690336_100000763385 [1,1,0,0,0,0|1,0,1]=4 7870 B15R1.35 CSCCNCCOCc1ccccc1 2230a_100000753106_100000751147 [1,1,0,0,0,0|1,0,1]=4 7871 B15R1.35 CSCCNCCOCc1ccccc1 2230a_100020590264_100000234347 [1,1,0,0,0,0|1,0,1]=4 7872 B15R1.35 CSCCNCCOCc1ccccc1 34a_100000753106_100000212216 [1,1,0,0,0,0|1,0,1]=4 7873 B15R1.35 CSCCOCCOCc1ccccc1 34a_100000230434_100000234347 [1,1,0,0,0,0|1,0,1]=4 7874 B15R1.35 CSCCOCCOCc1ccccc1 34a_100000759325_100000212216 [1,1,0,0,0,0|1,0,1]=4 7875 B15R1.35 CSCCOCCOCc1ccccc1 62a_100010883073_200000210301 [1,1,0,0,0,0|1,0,1]=4 7876 B15R1.35 CSCCOCCOCc1ccccc1 62a_200000210301_100010883073 [1,1,0,0,0,0|1,0,1]=4 7877 B15R1.35 CSCCOCCOCc1ccccc1 7a_100000230434_100000234347 [1,1,0,0,0,0|1,0,1]=4 7878 B15R1.35 CSCCOCCOCc1ccccc1 7a_100000759325_100000212216 [1,1,0,0,0,0|1,0,1]=4 7879 B15R1.35 CSCCSCCOCc1ccccc1 62a_100000212216_100000234347 [1,1,0,0,0,0|1,0,1]=4 7880 B15R1.35 CSCCSCCOCc1ccccc1 62a_100000234347_100000751147 [1,1,0,0,0,0|1,0,1]=4 7881 B15R1.35 CSCNCCCOCc1ccccc1 2230a_200000206031_100011218213 [1,1,0,0,0,0|1,0,1]=4 7882 B15R1.35 CSCNCCCOCc1ccccc1 34a_200000206031_100011218213 [1,1,0,0,0,0|1,0,1]=4 7883 B15R1.35 CSCOCCCOCc1ccccc1 34a_100000691849_100011218213 [1,1,0,0,0,0|1,0,1]=4 7884 B15R1.35 CSCSCCCOCc1ccccc1 62a_100011215529_100011218213 [1,1,0,0,0,0|1,0,1]=4 7885 B15R1.35 CSCSCCCOCc1ccccc1 62a_100011218213_100011215529 [1,1,0,0,0,0|1,0,1]=4 7886 B15R1.35 ClCCCCCCOCc1ccccc1 34a_100000766143_100015291786 [1,1,0,0,0,0|0,0,1]=3 7887 B15R1.35 ClCCCCCCOCc1ccccc1 7a_100000766143_100000211182 [1,1,0,0,0,0|0,0,1]=3 7888 B15R1.35 ClCCCCCCOCc1ccccn1 34a_100000766143_100000721315 [1,1,0,0,0,0|1,0,1]=4 7889 B15R1.35 ClCCCCCCOCc1ccccn1 7a_100000766143_100000721315 [1,1,0,0,0,0|1,0,1]=4 7890 B15R1.35 ClCCCCCCOCc1cccnc1 34a_100000766143_100000733263 [1,1,0,0,0,0|1,0,1]=4 7891 B15R1.35 ClCCCCCCOCc1cccnc1 7a_100000766143_100000741622 [1,1,0,0,0,0|1,0,1]=4 7892 B15R1.35 ClCCCCCCOCc1ccncc1 7a_100000766143_100015193705 [1,1,0,0,0,0|1,0,1]=4 7893 B15R1.35 ClCCCCCOCCc1ccccc1 34a_100000746330_100000765856 [1,1,0,0,0,0|1,0,1]=4 7894 B15R1.35 ClCCCCCOCCc1ccccc1 7a_100000746330_100000765856 [1,1,0,0,0,0|1,0,1]=4 7895 B15R1.35 ClCCCCOC/C=C/c1ccccc1 34a_100000210776_100016265936 [1,1,0,0,0,0|2,0,0]=4 7896 B15R1.35 ClCCCCOC/C=C/c1ccccc1 7a_100000210776_100016265936 [1,1,0,0,0,0|2,0,0]=4 7897 B15R1.35 ClCCCCOCOCc1ccccc1 34a_100000210776_100000763385 [1,1,0,0,0,0|1,0,1]=4 7898 B15R1.35 ClCCCOCCOCc1ccccc1 34a_100000230001_100000234347 [1,1,0,0,0,0|1,0,1]=4 7899 B15R1.35 FCCCCCCNCc1ccccc1 2230a_100015324214_100015922095 [1,1,0,0,0,0|1,0,1]=4 7900 B15R1.35 FCCCCCCNCc1ccccc1 34a_100015324214_100015922095 [1,1,0,0,0,0|1,0,1]=4 7901 B15R1.35 FCCCCCCOCc1ccccc1 34a_100000210790_100015922095 [1,1,0,0,0,0|0,0,1]=3 7902 B15R1.35 FCCCCCCOCc1ccccc1 34a_100000732779_100015291786 [1,1,0,0,0,0|0,0,1]=3 7903 B15R1.35 FCCCCCCOCc1ccccc1 7a_100000210790_100015922095 [1,1,0,0,0,0|0,0,1]=3 7904 B15R1.35 FCCCCCCOCc1ccccc1 7a_100000732779_100000211182 [1,1,0,0,0,0|0,0,1]=3 7905 B15R1.35 FCCCCCCOCc1ccccn1 34a_100000732779_100000721315 [1,1,0,0,0,0|1,0,1]=4 7906 B15R1.35 FCCCCCCOCc1ccccn1 7a_100000732779_100000721315 [1,1,0,0,0,0|1,0,1]=4 7907 B15R1.35 FCCCCCCOCc1cccnc1 34a_100000732779_100000733263 [1,1,0,0,0,0|1,0,1]=4 7908 B15R1.35 FCCCCCCOCc1cccnc1 7a_100000732779_100000741622 [1,1,0,0,0,0|1,0,1]=4 7909 B15R1.35 FCCCCCCOCc1ccncc1 7a_100000732779_100015193705 [1,1,0,0,0,0|1,0,1]=4 7910 B15R1.35 FCCCCCCSCc1ccccc1 62a_100000211182_100015922095 [1,1,0,0,0,0|0,1,1]=4 7911 B15R1.35 FCCCCCCSCc1ccccc1 62a_100015922095_100015291786 [1,1,0,0,0,0|0,1,1]=4 7912 B15R1.35 FCCCCCOCCc1ccccc1 34a_100000210268_100000729378 [1,1,0,0,0,0|1,0,1]=4 7913 B15R1.35 FCCCCCOCCc1ccccc1 7a_100000210268_100000729378 [1,1,0,0,0,0|1,0,1]=4 7914 B15R1.35 FCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000729493 [1,1,0,0,0,0|2,0,0]=4 7915 B15R1.35 FCCCCNC/C=C/c1ccccc1 34a_100020603302_100000729493 [1,1,0,0,0,0|2,0,0]=4 7916 B15R1.35 FCCCCOC/C=C/c1ccccc1 34a_100000210256_100000729493 [1,1,0,0,0,0|2,0,0]=4 7917 B15R1.35 FCCCCOC/C=C/c1ccccc1 34a_100011995726_100016265936 [1,1,0,0,0,0|2,0,0]=4 7918 B15R1.35 FCCCCOC/C=C/c1ccccc1 7a_100011995726_100016265936 [1,1,0,0,0,0|2,0,0]=4 7919 B15R1.35 FCCCCOCOCc1ccccc1 34a_100011995726_100000763385 [1,1,0,0,0,0|1,0,1]=4 7920 B15R1.35 FCCCCSC/C=C/c1ccccc1 62a_100000729493_100016265936 [1,1,0,0,0,0|2,0,0]=4 7921 B15R1.35 FCCCCSC/C=C/c1ccccc1 62a_100016265936_100000729493 [1,1,0,0,0,0|2,0,0]=4 7922 B15R1.35 FCCCCSCOCc1ccccc1 62a_100000729493_100000763385 [1,1,0,0,0,0|1,0,1]=4 7923 B15R1.35 FCCCCSCOCc1ccccc1 62a_100000763385_100000729493 [1,1,0,0,0,0|1,0,1]=4 7924 B15R1.35 FCCCNCCOCc1ccccc1 2230a_100000753106_100011934791 [1,1,0,0,0,0|1,0,1]=4 7925 B15R1.35 FCCCNCCOCc1ccccc1 2230a_100015189416_100000234347 [1,1,0,0,0,0|1,0,1]=4 7926 B15R1.35 FCCCNCCOCc1ccccc1 34a_100000753106_100011934791 [1,1,0,0,0,0|1,0,1]=4 7927 B15R1.35 FCCCNCCOCc1ccccc1 34a_100015189416_100000234347 [1,1,0,0,0,0|1,0,1]=4 7928 B15R1.35 FCCCOCCOCc1ccccc1 34a_100000759325_100011934791 [1,1,0,0,0,0|1,0,1]=4 7929 B15R1.35 FCCCOCCOCc1ccccc1 34a_100000759539_100000234347 [1,1,0,0,0,0|1,0,1]=4 7930 B15R1.35 FCCCOCCOCc1ccccc1 7a_100000759325_100011934791 [1,1,0,0,0,0|1,0,1]=4 7931 B15R1.35 FCCCSCCOCc1ccccc1 62a_100000234347_100011934791 [1,1,0,0,0,0|1,0,1]=4 7932 B15R1.35 FCCCSCCOCc1ccccc1 62a_100011934791_100000234347 [1,1,0,0,0,0|1,0,1]=4 7933 B15R1.35 FCCNCCCOCc1ccccc1 2230a_200000206031_100011217306 [1,1,0,0,0,0|1,0,1]=4 7934 B15R1.35 FCCNCCCOCc1ccccc1 34a_100000724931_100011215529 [1,1,0,0,0,0|1,0,1]=4 7935 B15R1.35 FCCNCCCOCc1ccccc1 34a_200000206031_100011217306 [1,1,0,0,0,0|1,0,1]=4 7936 B15R1.35 FCCOCCCOCc1ccccc1 34a_100000691849_100011217306 [1,1,0,0,0,0|1,0,1]=4 7937 B15R1.35 FCCOCCCOCc1ccccc1 7a_100000691849_100011217306 [1,1,0,0,0,0|1,0,1]=4 7938 B15R1.35 FCCSCCCOCc1ccccc1 62a_100011215529_100011217306 [1,1,0,0,0,0|1,0,1]=4 7939 B15R1.35 FCCSCCCOCc1ccccc1 62a_100011217306_100011215529 [1,1,0,0,0,0|1,0,1]=4 7940 B15R1.35 FCNCCCCOCc1ccccc1 34a_100000748060_100015361967 [1,1,0,0,0,0|1,0,1]=4 7941 B15R1.35 FCOCCCCOCc1ccccc1 34a_100011215074_100015361967 [1,1,0,0,0,0|1,0,1]=4 7942 B15R1.35 FCOCCCCOCc1ccccc1 7a_100011215074_100015361967 [1,1,0,0,0,0|1,0,1]=4 7943 B15R1.35 FCSCCCCOCc1ccccc1 62a_100011219843_100015361967 [1,1,0,0,0,0|1,0,1]=4 7944 B15R1.35 FCSCCCCOCc1ccccc1 62a_100015361967_100011219843 [1,1,0,0,0,0|1,0,1]=4 7945 B15R1.35 ICCCCCOCCc1ccccc1 34a_200012148887_100000765856 [1,1,0,0,0,0|1,0,1]=4 7946 B15R1.35 ICCCCCOCCc1ccccc1 7a_200012148887_100000765856 [1,1,0,0,0,0|1,0,1]=4 7947 B15R1.35 ICCCCOC/C=C/c1ccccc1 34a_200012148704_100016265936 [1,1,0,0,0,0|2,0,0]=4 7948 B15R1.35 ICCCCOCOCc1ccccc1 34a_200012148704_100000763385 [1,1,0,0,0,0|1,0,1]=4 7949 B15R1.35 N#CCCCCCOCc1ccccc1 7a_100000210790_100009813376 [1,1,0,0,0,0|0,0,2]=4 7950 B15R1.35 NCCCCCCOCc1ccccc1 34a_100000686447_100015291786 [1,1,0,0,0,0|0,0,1]=3 7951 B15R1.35 NCCCCCCOCc1ccccn1 34a_100000686447_100000721315 [1,1,0,0,0,0|1,0,1]=4 7952 B15R1.35 NCCCCCCOCc1cccnc1 34a_100000686447_100000733263 [1,1,0,0,0,0|1,0,1]=4 7953 B15R1.35 NCCCCCOCCc1ccccc1 34a_100000762737_100000765856 [1,1,0,0,0,0|1,0,1]=4 7954 B15R1.35 NCCCCOC/C=C/c1ccccc1 34a_100000750430_100016265936 [1,1,0,0,0,0|2,0,0]=4 7955 B15R1.35 NCCCCOCOCc1ccccc1 34a_100000750430_100000763385 [1,1,0,0,0,0|1,0,1]=4 7956 B15R1.35 NCCCOCCOCc1ccccc1 34a_100000182051_100000234347 [1,1,0,0,0,0|1,0,1]=4 7957 B15R1.35 NCCOCCCOCc1ccccc1 34a_100000210304_100011215529 [1,1,0,0,0,0|1,0,1]=4 7958 B15R1.35 O=CCCCCCOCc1ccccc1 7a_100000210790_100000139337 [1,1,0,0,0,0|0,0,2]=4 7959 B15R1.35 OCCCCCCCNc1ccccc1 34a_100000106764_100000760002 [1,1,0,0,0,0|2,0,0]=4 7960 B15R1.35 OCCCCCCCOc1ccccc1 34a_100000210340_100000760002 [1,1,0,0,0,0|2,0,0]=4 7961 B15R1.35 OCCCCCCCOc1ccccc1 7a_100000210340_100000760002 [1,1,0,0,0,0|2,0,0]=4 7962 B15R1.35 OCCCCCCCSc1ccccc1 62a_100000719477_100000760002 [1,1,0,0,0,0|2,0,0]=4 7963 B15R1.35 OCCCCCCCSc1ccccc1 62a_100000760002_100000041952 [1,1,0,0,0,0|2,0,0]=4 7964 B15R1.35 OCCCCCCNCc1ccccc1 207a_100000686447_100015611070 [1,1,0,0,0,0|1,0,1]=4 7965 B15R1.35 OCCCCCCNCc1ccccc1 2230a_100000686447_100015291786 [1,1,0,0,0,0|1,0,1]=4 7966 B15R1.35 OCCCCCCNCc1ccccc1 2230a_100015324214_100000766143 [1,1,0,0,0,0|1,0,1]=4 7967 B15R1.35 OCCCCCCNCc1ccccc1 270004a_100000686447_100015611070 [1,1,0,0,0,0|1,0,1]=4 7968 B15R1.35 OCCCCCCNCc1ccccc1 34a_100000686447_100015291786 [1,1,0,0,0,0|1,0,1]=4 7969 B15R1.35 OCCCCCCNCc1ccccc1 34a_100015324214_100000766143 [1,1,0,0,0,0|1,0,1]=4 7970 B15R1.35 OCCCCCCOCc1ccccc1 34a_100000210790_100000766143 [1,1,0,0,0,0|0,0,1]=3 7971 B15R1.35 OCCCCCCOCc1ccccc1 7a_100000210790_100000766143 [1,1,0,0,0,0|0,0,1]=3 7972 B15R1.35 OCCCCCCSCc1ccccc1 62a_100000211182_100000766143 [1,1,0,0,0,0|0,1,1]=4 7973 B15R1.35 OCCCCCCSCc1ccccc1 62a_100000766143_100015291786 [1,1,0,0,0,0|0,1,1]=4 7974 B15R1.35 OCCCCCOCCc1ccccc1 34a_100000210268_100000746330 [1,1,0,0,0,0|1,0,1]=4 7975 B15R1.35 OCCCCCOCCc1ccccc1 7a_100000210268_100000746330 [1,1,0,0,0,0|1,0,1]=4 7976 B15R1.35 OCCCCNC/C=C/c1ccccc1 2230a_100000750430_100016265936 [1,1,0,0,0,0|2,0,0]=4 7977 B15R1.35 OCCCCNC/C=C/c1ccccc1 2230a_100020603302_100000210776 [1,1,0,0,0,0|2,0,0]=4 7978 B15R1.35 OCCCCNC/C=C/c1ccccc1 34a_100000750430_100016265936 [1,1,0,0,0,0|2,0,0]=4 7979 B15R1.35 OCCCCNC/C=C/c1ccccc1 34a_100020603302_100011216708 [1,1,0,0,0,0|2,0,0]=4 7980 B15R1.35 OCCCCNCC=Cc1ccccc1 270004a_100000750430_100000210105 [1,1,0,0,0,0|2,0,0]=4 7981 B15R1.35 OCCCCNCOCc1ccccc1 2230a_100000750430_100000763385 [1,1,0,0,0,0|1,0,1]=4 7982 B15R1.35 OCCCCNCOCc1ccccc1 34a_100000750430_100000763385 [1,1,0,0,0,0|1,0,1]=4 7983 B15R1.35 OCCCCOC/C=C/c1ccccc1 34a_100000210256_100011216708 [1,1,0,0,0,0|2,0,0]=4 7984 B15R1.35 OCCCCSC/C=C/c1ccccc1 62a_100000210776_100016265936 [1,1,0,0,0,0|2,0,0]=4 7985 B15R1.35 OCCCCSC/C=C/c1ccccc1 62a_100016265936_100000210776 [1,1,0,0,0,0|2,0,0]=4 7986 B15R1.35 OCCCCSCOCc1ccccc1 62a_100000210776_100000763385 [1,1,0,0,0,0|1,0,1]=4 7987 B15R1.35 OCCCCSCOCc1ccccc1 62a_100000763385_100000210776 [1,1,0,0,0,0|1,0,1]=4 7988 B15R1.35 OCCCNCCOCc1ccccc1 2230a_100000753106_100000230001 [1,1,0,0,0,0|1,0,1]=4 7989 B15R1.35 OCCCNCCOCc1ccccc1 34a_100000753106_100000230001 [1,1,0,0,0,0|1,0,1]=4 7990 B15R1.35 OCCCOCCOCc1ccccc1 34a_100000759325_100000230001 [1,1,0,0,0,0|1,0,1]=4 7991 B15R1.35 OCCCOCCOCc1ccccc1 7a_100000759325_100011215043 [1,1,0,0,0,0|1,0,1]=4 7992 B15R1.35 OCCCSCCOCc1ccccc1 62a_100000234347_100011215043 [1,1,0,0,0,0|1,0,1]=4 7993 B15R1.35 OCCCSCCOCc1ccccc1 62a_100011215043_100000234347 [1,1,0,0,0,0|1,0,1]=4 7994 B15R1.35 OCCNCCCOCc1ccccc1 2230a_100016997473_100011215529 [1,1,0,0,0,0|1,0,1]=4 7995 B15R1.35 OCCNCCCOCc1ccccc1 2230a_200000206031_100000211926 [1,1,0,0,0,0|1,0,1]=4 7996 B15R1.35 OCCNCCCOCc1ccccc1 34a_100016990907_100011215529 [1,1,0,0,0,0|1,0,1]=4 7997 B15R1.35 OCCNCCCOCc1ccccc1 34a_200000206031_100000211926 [1,1,0,0,0,0|1,0,1]=4 7998 B15R1.35 OCCOCCCOCc1ccccc1 34a_100000691849_100000211926 [1,1,0,0,0,0|1,0,1]=4 7999 B15R1.35 OCCOCCCOCc1ccccc1 7a_100000691849_100000211926 [1,1,0,0,0,0|1,0,1]=4 8000 B15R1.35 OCCSCCCOCc1ccccc1 62a_100000211926_100011215529 [1,1,0,0,0,0|1,0,1]=4 8001 B15R1.35 OCCSCCCOCc1ccccc1 62a_100011215529_100000211926 [1,1,0,0,0,0|1,0,1]=4 8002 B15R1.35 [13CH3]NCCOCCOCc1ccccc1 2230a_100012282123_200025704644 [1,1,0,0,0,0|1,0,1]=4 8003 B15R1.35 [13CH3]NCCOCCOCc1ccccc1 34a_100012282123_200025704644 [1,1,0,0,0,0|1,0,1]=4 8004 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 34a_100000042756_200025704644 [1,1,0,0,0,0|1,0,1]=4 8005 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 7a_100000042756_200025704644 [1,1,0,0,0,0|1,0,1]=4 8006 B15R1.35 [13CH3]OCCCCCNCc1ccccc1 34a_100011629535_200025704644 [1,1,0,0,0,0|1,0,1]=4 8007 B15R1.35 [13CH3]OCCCCCOCc1ccccc1 34a_100011215045_200025704644 [1,1,0,0,0,0|0,0,1]=3 8008 B15R1.35 [13CH3]OCCCCCOCc1ccccc1 7a_100011215045_200025704644 [1,1,0,0,0,0|0,0,1]=3 8009 B15R1.35 [13CH3]OCCCNC/C=C/c1ccccc1 34a_100020603576_200025704644 [1,1,0,0,0,0|2,0,0]=4 8010 B15R1.35 [13CH3]OCCOCCOCc1ccccc1 34a_100000037723_200025704644 [1,1,0,0,0,0|1,0,1]=4 8011 B15R1.35 [13CH3]OCCOCCOCc1ccccc1 7a_100000037723_200025704644 [1,1,0,0,0,0|1,0,1]=4 8012 B15R1.35 [13CH3]SCCCCCCCc1ccccc1 62a_200025704644_200009813472 [1,1,0,0,0,0|1,0,1]=4 8013 B15R1.35 [13CH3]SCCCCCCOc1ccccc1 62a_200025704644_200012047174 [1,1,0,0,0,0|2,0,0]=4 8014 B15R1.35 [13CH3]SCCCCCOCc1ccccc1 62a_100012032903_200025704644 [1,1,0,0,0,0|0,0,1]=3 8015 B15R1.35 [13CH3]SCCCCCOCc1ccccc1 62a_200025704644_100012032903 [1,1,0,0,0,0|0,0,1]=3 8016 B15R1.35 [13CH3]SCCOCCOCc1ccccc1 62a_100010883073_200025704644 [1,1,0,0,0,0|1,0,1]=4 8017 B15R1.35 [13CH3]SCCOCCOCc1ccccc1 62a_200025704644_100010883073 [1,1,0,0,0,0|1,0,1]=4 8018 B15R1.78 CCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210326 [1,1,0,0,0,0|1,0,1]=4 8019 B15R1.78 CCCCCC(C)NCc1ccccc1 207a_100000211957_100015611070 [1,1,0,0,0,0|1,0,1]=4 8020 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100000211957_100015291786 [1,1,0,0,0,0|1,0,1]=4 8021 B15R1.78 CCCCCC(C)NCc1ccccc1 2230a_100015324214_200011218191 [1,1,0,0,0,0|1,0,1]=4 8022 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100000211957_100015611070 [1,1,0,0,0,0|1,0,1]=4 8023 B15R1.78 CCCCCC(C)NCc1ccccc1 270004a_100015324214_100000211708 [1,1,0,0,0,0|1,0,1]=4 8024 B15R1.78 CCCCCC(C)NCc1ccccc1 34a_100015324214_200011218191 [1,1,0,0,0,0|1,0,1]=4 8025 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100000210790_200011218191 [1,1,0,0,0,0|0,0,1]=3 8026 B15R1.78 CCCCCC(C)OCc1ccccc1 34a_100011215632_100015291786 [1,1,0,0,0,0|0,0,1]=3 8027 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100000210790_200011218191 [1,1,0,0,0,0|0,0,1]=3 8028 B15R1.78 CCCCCC(C)OCc1ccccc1 7a_100011215632_100000211182 [1,1,0,0,0,0|0,0,1]=3 8029 B15R1.78 CCCCCC(C)OCc1ccccn1 34a_100011215632_100000721315 [1,1,0,0,0,0|1,0,1]=4 8030 B15R1.78 CCCCCC(C)OCc1ccccn1 7a_100011215632_100000721315 [1,1,0,0,0,0|1,0,1]=4 8031 B15R1.78 CCCCCC(C)OCc1cccnc1 34a_100011215632_100000733263 [1,1,0,0,0,0|1,0,1]=4 8032 B15R1.78 CCCCCC(C)OCc1cccnc1 7a_100011215632_100000741622 [1,1,0,0,0,0|1,0,1]=4 8033 B15R1.78 CCCCCC(C)OCc1ccncc1 7a_100011215632_100015193705 [1,1,0,0,0,0|1,0,1]=4 8034 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_100000211182_200011218191 [1,1,0,0,0,0|0,1,1]=4 8035 B15R1.78 CCCCCC(C)SCc1ccccc1 62a_200011218191_100015291786 [1,1,0,0,0,0|0,1,1]=4 8036 B15R1.78 COCCCC(C)OCc1ccccc1 34a_200011539412_100015291786 [1,1,0,0,0,0|1,0,1]=4 8037 B15R1.78 COCCCC(C)OCc1ccccc1 7a_200011539412_100000211182 [1,1,0,0,0,0|1,0,1]=4 8038 B15R1.83 CCCCCCC(=O)Cc1ccccc1 1458a_100102632555_100015291786 [1,1,0,0,0,0|1,0,1]=4 8039 B15R1.83 CCCCCCC(=O)Nc1ccccc1 11a_100000106764_100102632555 [1,1,0,0,0,0|2,0,0]=4 8040 B15R1.83 CCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100102632555 [1,1,0,0,0,0|2,0,0]=4 8041 B15R1.83 CCCCCCC(=O)Nc1ccccc1 22a_100000106764_100102632555 [1,1,0,0,0,0|2,0,0]=4 8042 B15R1.83 CCCCCCC(=O)Nc1ccccc1 527a_100000106764_100102632555 [1,1,0,0,0,0|2,0,0]=4 8043 B15R1.83 CCCCCCC(C)Nc1ccccc1 34a_100000106764_100011215978 [1,1,0,0,0,0|2,0,0]=4 8044 B15R1.83 CCCCCCC(C)Oc1ccccc1 34a_100000210340_100011215978 [1,1,0,0,0,0|2,0,0]=4 8045 B15R1.83 CCCCCCC(C)Oc1ccccc1 7a_100000210340_100011215978 [1,1,0,0,0,0|2,0,0]=4 8046 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100000719477_100011215978 [1,1,0,0,0,0|2,0,0]=4 8047 B15R1.83 CCCCCCC(C)Sc1ccccc1 62a_100011215978_100000041952 [1,1,0,0,0,0|2,0,0]=4 8048 B15R1.83 CCCCCCN(C)Cc1ccccc1 2230a_100000186898_100000210314 [1,1,0,0,0,0|1,0,1]=4 8049 B15R1.83 CCCCCCN(C)Cc1ccccc1 2230a_106256046315_100015291786 [1,1,0,0,0,0|1,0,1]=4 8050 B15R1.83 CCCCCCN(C)Cc1ccccc1 269982a_100000186898_100000210757 [1,1,0,0,0,0|1,0,1]=4 8051 B15R1.83 CCCCCCN(C)Cc1ccccc1 269982a_106256046315_100000211182 [1,1,0,0,0,0|1,0,1]=4 8052 B15R1.83 CCCCCCN(C)Cc1ccccc1 270004a_106256046315_100015611070 [1,1,0,0,0,0|1,0,1]=4 8053 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210210 [1,1,0,0,0,0|2,0,0]=4 8054 B15R1.83 CCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210211 [1,1,0,0,0,0|2,0,0]=4 8055 B15R1.106 BrCCCCCOCc1cccc(c1)Br 34a_100000746331_100000698116 [1,1,0,0,0,0|1,0,1]=4 8056 B15R1.106 BrCCCCCOCc1cccc(c1)Br 7a_100000746331_100000211773 [1,1,0,0,0,0|1,0,1]=4 8057 B15R1.106 BrCCCCCOCc1cccc(c1)I 34a_100000746331_100011218688 [1,1,0,0,0,0|1,0,1]=4 8058 B15R1.106 BrCCCCCOCc1cccc(c1)I 7a_100000746331_100011218688 [1,1,0,0,0,0|1,0,1]=4 8059 B15R1.106 Brc1cccc(c1)COCCCCCI 34a_200012148887_100000698116 [1,1,0,0,0,0|1,0,1]=4 8060 B15R1.106 Brc1cccc(c1)COCCCCCI 7a_200012148887_100000211773 [1,1,0,0,0,0|1,0,1]=4 8061 B15R1.106 CCCCCCC=Cc1cc(ccn1)C 271570a_200015348155_100000750283 [1,1,0,0,0,0|2,0,0]=4 8062 B15R1.106 CCCCCCC=Cc1cc(ccn1)Cl 271570a_200015348155_100010167805 [1,1,0,0,0,0|2,0,0]=4 8063 B15R1.106 CCCCCCC=Cc1cc(ccn1)F 271570a_200015348155_100009817058 [1,1,0,0,0,0|2,0,0]=4 8064 B15R1.106 CCCCCCC=Cc1cc(ccn1)N 271570a_200015348155_100009814236 [1,1,0,0,0,0|2,0,0]=4 8065 B15R1.106 CCCCCCC=Cc1cc(ccn1)O 271570a_200015348155_100000762945 [1,1,0,0,0,0|2,0,0]=4 8066 B15R1.106 CCCCCCC=Cc1cc[nH]c(=O)c1 271570a_200015348155_100009816521 [1,1,0,0,0,0|2,0,0]=4 8067 B15R1.106 CCCCCCC=Cc1ccc[n+](c1)C 271570a_200015348155_100009996589 [1,1,0,0,0,0|2,0,0]=4 8068 B15R1.106 CCCCCCC=Cc1ccc[n+](c1)[O-] 271570a_200015348155_100009815978 [1,1,0,0,0,0|2,0,0]=4 8069 B15R1.106 CCCCCCC=Cc1cccc(=O)[nH]1 271570a_200015348155_100000761760 [1,1,0,0,0,0|2,0,0]=4 8070 B15R1.106 CCCCCCC=Cc1cccc(c1)Br 271570a_200015348155_100000691529 [1,1,0,0,0,0|1,0,0]=3 8071 B15R1.106 CCCCCCC=Cc1cccc(c1)C 271570a_200015348155_100011215228 [1,1,0,0,0,0|1,0,0]=3 8072 B15R1.106 CCCCCCC=Cc1cccc(c1)Cl 271570a_200015348155_100000699651 [1,1,0,0,0,0|1,0,0]=3 8073 B15R1.106 CCCCCCC=Cc1cccc(c1)F 271570a_200015348155_100000685547 [1,1,0,0,0,0|1,0,0]=3 8074 B15R1.106 CCCCCCC=Cc1cccc(c1)N 271570a_200015348155_100000210019 [1,1,0,0,0,0|1,0,0]=3 8075 B15R1.106 CCCCCCC=Cc1cccc(c1)O 271570a_200015348155_100000211634 [1,1,0,0,0,0|1,0,0]=3 8076 B15R1.106 CCCCCCC=Cc1cccc(c1)[S] 271570a_200015348155_114929384022 [1,1,0,0,0,0|1,0,0]=3 8077 B15R1.106 CCCCCCC=Cc1cccc(n1)Br 271570a_200015348155_100000684672 [1,1,0,0,0,0|2,0,0]=4 8078 B15R1.106 CCCCCCC=Cc1cccc(n1)C 271570a_200015348155_100000742759 [1,1,0,0,0,0|2,0,0]=4 8079 B15R1.106 CCCCCCC=Cc1cccc(n1)F 271570a_200015348155_100009815982 [1,1,0,0,0,0|2,0,0]=4 8080 B15R1.106 CCCCCCC=Cc1cccc(n1)N 271570a_200015348155_100000740741 [1,1,0,0,0,0|2,0,0]=4 8081 B15R1.106 CCCCCCC=Cc1ccnc(c1)Br 271570a_200015348155_100009814637 [1,1,0,0,0,0|2,0,0]=4 8082 B15R1.106 CCCCCCC=Cc1ccnc(c1)C 271570a_200015348155_100000758586 [1,1,0,0,0,0|2,0,0]=4 8083 B15R1.106 CCCCCCC=Cc1ccnc(c1)Cl 271570a_200015348155_100000035001 [1,1,0,0,0,0|2,0,0]=4 8084 B15R1.106 CCCCCCC=Cc1ccnc(c1)F 271570a_200015348155_100009816116 [1,1,0,0,0,0|2,0,0]=4 8085 B15R1.106 CCCCCCC=Cc1ccnc(c1)N 271570a_200015348155_100000744379 [1,1,0,0,0,0|2,0,0]=4 8086 B15R1.106 CCCCCCC=Cc1cncc(c1)Br 271570a_200015348155_100000728054 [1,1,0,0,0,0|2,0,0]=4 8087 B15R1.106 CCCCCCC=Cc1cncc(c1)C 271570a_200015348155_100000760492 [1,1,0,0,0,0|2,0,0]=4 8088 B15R1.106 CCCCCCC=Cc1cncc(c1)Cl 271570a_200015348155_100000049639 [1,1,0,0,0,0|2,0,0]=4 8089 B15R1.106 CCCCCCC=Cc1cncc(c1)F 271570a_200015348155_100000744099 [1,1,0,0,0,0|2,0,0]=4 8090 B15R1.106 CCCCCCC=Cc1cncc(c1)N 271570a_200015348155_100000687067 [1,1,0,0,0,0|2,0,0]=4 8091 B15R1.106 CCCCCCC=Cc1cncc(c1)O 271570a_200015348155_100000754920 [1,1,0,0,0,0|2,0,0]=4 8092 B15R1.106 CCCCCCCCc1cccc(c1)O 271570a_203496583355_100011162360 [1,1,0,0,0,0|1,0,1]=4 8093 B15R1.106 CCCCCCCNc1cccc(c1)Br 34a_100000210019_100000210614 [1,1,0,0,0,0|2,0,0]=4 8094 B15R1.106 CCCCCCCNc1cccc(c1)C 2230a_100000188690_100000210681 [1,1,0,0,0,0|2,0,0]=4 8095 B15R1.106 CCCCCCCNc1cccc(c1)C 34a_100000188690_100000210614 [1,1,0,0,0,0|2,0,0]=4 8096 B15R1.106 CCCCCCCNc1cccc(c1)Cl 34a_100000185859_100000210614 [1,1,0,0,0,0|2,0,0]=4 8097 B15R1.106 CCCCCCCNc1cccc(c1)F 34a_100000210047_100000210614 [1,1,0,0,0,0|2,0,0]=4 8098 B15R1.106 CCCCCCCNc1cccc(c1)I 34a_100000211102_100000210614 [1,1,0,0,0,0|2,0,0]=4 8099 B15R1.106 CCCCCCCNc1cccc(c1)O 34a_100000210217_100000210614 [1,1,0,0,0,0|2,0,0]=4 8100 B15R1.106 CCCCCCCOc1cccc(c1)Br 34a_100000210342_100000210614 [1,1,0,0,0,0|2,0,0]=4 8101 B15R1.106 CCCCCCCOc1cccc(c1)Br 7a_100000210342_100000210614 [1,1,0,0,0,0|2,0,0]=4 8102 B15R1.106 CCCCCCCOc1cccc(c1)C 34a_100000210337_100000210614 [1,1,0,0,0,0|2,0,0]=4 8103 B15R1.106 CCCCCCCOc1cccc(c1)C 7a_100000210337_100000210614 [1,1,0,0,0,0|2,0,0]=4 8104 B15R1.106 CCCCCCCOc1cccc(c1)Cl 34a_100000210295_100000210614 [1,1,0,0,0,0|2,0,0]=4 8105 B15R1.106 CCCCCCCOc1cccc(c1)Cl 7a_100000210295_100000210614 [1,1,0,0,0,0|2,0,0]=4 8106 B15R1.106 CCCCCCCOc1cccc(c1)F 34a_100000210426_100000210614 [1,1,0,0,0,0|2,0,0]=4 8107 B15R1.106 CCCCCCCOc1cccc(c1)F 7a_100000210426_100000210614 [1,1,0,0,0,0|2,0,0]=4 8108 B15R1.106 CCCCCCCOc1cccc(c1)I 34a_100000211634_100000210614 [1,1,0,0,0,0|2,0,0]=4 8109 B15R1.106 CCCCCCCOc1cccc(c1)I 7a_100000211634_100000210614 [1,1,0,0,0,0|2,0,0]=4 8110 B15R1.106 CCCCCCCOc1cccc(c1)N 34a_100000210217_100000210614 [1,1,0,0,0,0|2,0,0]=4 8111 B15R1.106 CCCCCCCSc1cccc(c1)Br 62a_100000210614_100000691529 [1,1,0,0,0,0|2,0,0]=4 8112 B15R1.106 CCCCCCCSc1cccc(c1)Br 62a_100000691529_100000210316 [1,1,0,0,0,0|2,0,0]=4 8113 B15R1.106 CCCCCCCSc1cccc(c1)C 62a_100000210614_100011215228 [1,1,0,0,0,0|2,0,0]=4 8114 B15R1.106 CCCCCCCSc1cccc(c1)C 62a_100011215228_100000210316 [1,1,0,0,0,0|2,0,0]=4 8115 B15R1.106 CCCCCCCSc1cccc(c1)Cl 62a_100000210614_100000699651 [1,1,0,0,0,0|2,0,0]=4 8116 B15R1.106 CCCCCCCSc1cccc(c1)Cl 62a_100000699651_100000210316 [1,1,0,0,0,0|2,0,0]=4 8117 B15R1.106 CCCCCCCSc1cccc(c1)F 62a_100000210614_100000685547 [1,1,0,0,0,0|2,0,0]=4 8118 B15R1.106 CCCCCCCSc1cccc(c1)F 62a_100000685547_100000210316 [1,1,0,0,0,0|2,0,0]=4 8119 B15R1.106 CCCCCCCSc1cccc(c1)N 62a_100000210019_100000210316 [1,1,0,0,0,0|2,0,0]=4 8120 B15R1.106 CCCCCCCSc1cccc(c1)N 62a_100000210614_100000210019 [1,1,0,0,0,0|2,0,0]=4 8121 B15R1.106 CCCCCCCSc1cccc(c1)O 62a_100000210614_100000211634 [1,1,0,0,0,0|2,0,0]=4 8122 B15R1.106 CCCCCCCSc1cccc(c1)[S] 62a_100000210614_114929384022 [1,1,0,0,0,0|2,0,0]=4 8123 B15R1.106 CCCCCCCSc1cccc(c1)[S] 62a_114929384022_100000210316 [1,1,0,0,0,0|2,0,0]=4 8124 B15R1.106 CCCCCCNCc1cccc(c1)Br 207a_100000210581_100000210085 [1,1,0,0,0,0|1,0,1]=4 8125 B15R1.106 CCCCCCNCc1cccc(c1)Br 2230a_100000174977_100000210314 [1,1,0,0,0,0|1,0,1]=4 8126 B15R1.106 CCCCCCNCc1cccc(c1)Br 2230a_100000210581_100000698116 [1,1,0,0,0,0|1,0,1]=4 8127 B15R1.106 CCCCCCNCc1cccc(c1)Br 270004a_100000210581_100000210085 [1,1,0,0,0,0|1,0,1]=4 8128 B15R1.106 CCCCCCNCc1cccc(c1)Br 34a_100000174977_100000210314 [1,1,0,0,0,0|1,0,1]=4 8129 B15R1.106 CCCCCCNCc1cccc(c1)C 207a_100000210581_100000211157 [1,1,0,0,0,0|1,0,1]=4 8130 B15R1.106 CCCCCCNCc1cccc(c1)C 2230a_100000185548_100000210314 [1,1,0,0,0,0|1,0,1]=4 8131 B15R1.106 CCCCCCNCc1cccc(c1)C 2230a_100000210581_100000211840 [1,1,0,0,0,0|1,0,1]=4 8132 B15R1.106 CCCCCCNCc1cccc(c1)C 270004a_100000210581_100000211157 [1,1,0,0,0,0|1,0,1]=4 8133 B15R1.106 CCCCCCNCc1cccc(c1)C 34a_100000185548_100000210314 [1,1,0,0,0,0|1,0,1]=4 8134 B15R1.106 CCCCCCNCc1cccc(c1)Cl 207a_100000210581_100000210801 [1,1,0,0,0,0|1,0,1]=4 8135 B15R1.106 CCCCCCNCc1cccc(c1)Cl 2230a_100000174878_100000210314 [1,1,0,0,0,0|1,0,1]=4 8136 B15R1.106 CCCCCCNCc1cccc(c1)Cl 2230a_100000210581_100000181238 [1,1,0,0,0,0|1,0,1]=4 8137 B15R1.106 CCCCCCNCc1cccc(c1)Cl 270004a_100000210581_100000210801 [1,1,0,0,0,0|1,0,1]=4 8138 B15R1.106 CCCCCCNCc1cccc(c1)Cl 34a_100000174878_100000210314 [1,1,0,0,0,0|1,0,1]=4 8139 B15R1.106 CCCCCCNCc1cccc(c1)F 207a_100000210581_100000210812 [1,1,0,0,0,0|1,0,1]=4 8140 B15R1.106 CCCCCCNCc1cccc(c1)F 2230a_100000174948_100000210314 [1,1,0,0,0,0|1,0,1]=4 8141 B15R1.106 CCCCCCNCc1cccc(c1)F 2230a_100000210581_100000230114 [1,1,0,0,0,0|1,0,1]=4 8142 B15R1.106 CCCCCCNCc1cccc(c1)F 270004a_100000210581_100000210812 [1,1,0,0,0,0|1,0,1]=4 8143 B15R1.106 CCCCCCNCc1cccc(c1)F 34a_100000174948_100000210314 [1,1,0,0,0,0|1,0,1]=4 8144 B15R1.106 CCCCCCNCc1cccc(c1)I 207a_100000210581_100000014684 [1,1,0,0,0,0|1,0,1]=4 8145 B15R1.106 CCCCCCNCc1cccc(c1)I 2230a_100000106179_100000210314 [1,1,0,0,0,0|1,0,1]=4 8146 B15R1.106 CCCCCCNCc1cccc(c1)I 2230a_100000210581_100011218688 [1,1,0,0,0,0|1,0,1]=4 8147 B15R1.106 CCCCCCNCc1cccc(c1)I 270004a_100000210581_100000014684 [1,1,0,0,0,0|1,0,1]=4 8148 B15R1.106 CCCCCCNCc1cccc(c1)I 34a_100000106179_100000210314 [1,1,0,0,0,0|1,0,1]=4 8149 B15R1.106 CCCCCCNCc1cccc(c1)O 207a_100000210581_100000188321 [1,1,0,0,0,0|1,0,1]=4 8150 B15R1.106 CCCCCCNCc1cccc(c1)O 2230a_100000210581_100011660834 [1,1,0,0,0,0|1,0,1]=4 8151 B15R1.106 CCCCCCNCc1cccc(c1)O 2230a_100000743036_100000210314 [1,1,0,0,0,0|1,0,1]=4 8152 B15R1.106 CCCCCCNCc1cccc(c1)O 270004a_100000210581_100000188321 [1,1,0,0,0,0|1,0,1]=4 8153 B15R1.106 CCCCCCNCc1cccc(c1)O 34a_100000743036_100000210314 [1,1,0,0,0,0|1,0,1]=4 8154 B15R1.106 CCCCCCOCc1cc(ccn1)Br 34a_100000210259_100010173614 [1,1,0,0,0,0|1,0,1]=4 8155 B15R1.106 CCCCCCOCc1cc(ccn1)Br 7a_100000210259_100010173614 [1,1,0,0,0,0|1,0,1]=4 8156 B15R1.106 CCCCCCOCc1cc(ccn1)C 34a_100000210259_100000718516 [1,1,0,0,0,0|1,0,1]=4 8157 B15R1.106 CCCCCCOCc1cc(ccn1)C 34a_100011998357_100000210314 [1,1,0,0,0,0|1,0,1]=4 8158 B15R1.106 CCCCCCOCc1cc(ccn1)C 7a_100000210259_100000718516 [1,1,0,0,0,0|1,0,1]=4 8159 B15R1.106 CCCCCCOCc1cc(ccn1)Cl 34a_100000210259_100016988179 [1,1,0,0,0,0|1,0,1]=4 8160 B15R1.106 CCCCCCOCc1cc(ccn1)Cl 34a_100000748867_100000210314 [1,1,0,0,0,0|1,0,1]=4 8161 B15R1.106 CCCCCCOCc1cc(ccn1)Cl 7a_100000210259_100016988179 [1,1,0,0,0,0|1,0,1]=4 8162 B15R1.106 CCCCCCOCc1cc(ccn1)N 34a_100000692640_100000210314 [1,1,0,0,0,0|1,0,1]=4 8163 B15R1.106 CCCCCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210314 [1,1,0,0,0,0|1,0,1]=4 8164 B15R1.106 CCCCCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210314 [1,1,0,0,0,0|1,0,1]=4 8165 B15R1.106 CCCCCCOCc1cccc(c1)Br 34a_100000210259_100000698116 [1,1,0,0,0,0|0,0,1]=3 8166 B15R1.106 CCCCCCOCc1cccc(c1)Br 34a_100000687537_100000210314 [1,1,0,0,0,0|0,0,1]=3 8167 B15R1.106 CCCCCCOCc1cccc(c1)Br 7a_100000210259_100000211773 [1,1,0,0,0,0|0,0,1]=3 8168 B15R1.106 CCCCCCOCc1cccc(c1)Br 7a_100000687537_100000210314 [1,1,0,0,0,0|0,0,1]=3 8169 B15R1.106 CCCCCCOCc1cccc(c1)C 34a_100000210259_100000211840 [1,1,0,0,0,0|0,0,1]=3 8170 B15R1.106 CCCCCCOCc1cccc(c1)C 34a_100011217746_100000210314 [1,1,0,0,0,0|0,0,1]=3 8171 B15R1.106 CCCCCCOCc1cccc(c1)C 7a_100000210259_100000211840 [1,1,0,0,0,0|0,0,1]=3 8172 B15R1.106 CCCCCCOCc1cccc(c1)C 7a_100011217746_100000210314 [1,1,0,0,0,0|0,0,1]=3 8173 B15R1.106 CCCCCCOCc1cccc(c1)Cl 34a_100000210259_100000187163 [1,1,0,0,0,0|0,0,1]=3 8174 B15R1.106 CCCCCCOCc1cccc(c1)Cl 34a_100000241301_100000210314 [1,1,0,0,0,0|0,0,1]=3 8175 B15R1.106 CCCCCCOCc1cccc(c1)Cl 7a_100000210259_100000187163 [1,1,0,0,0,0|0,0,1]=3 8176 B15R1.106 CCCCCCOCc1cccc(c1)Cl 7a_100000241301_100000210314 [1,1,0,0,0,0|0,0,1]=3 8177 B15R1.106 CCCCCCOCc1cccc(c1)F 34a_100000210259_100000187166 [1,1,0,0,0,0|0,0,1]=3 8178 B15R1.106 CCCCCCOCc1cccc(c1)F 34a_100000210976_100000210314 [1,1,0,0,0,0|0,0,1]=3 8179 B15R1.106 CCCCCCOCc1cccc(c1)F 7a_100000210259_100000230114 [1,1,0,0,0,0|0,0,1]=3 8180 B15R1.106 CCCCCCOCc1cccc(c1)F 7a_100000210976_100000210314 [1,1,0,0,0,0|0,0,1]=3 8181 B15R1.106 CCCCCCOCc1cccc(c1)I 34a_100000210259_100011218688 [1,1,0,0,0,0|0,0,1]=3 8182 B15R1.106 CCCCCCOCc1cccc(c1)I 34a_100011215336_100000210314 [1,1,0,0,0,0|0,0,1]=3 8183 B15R1.106 CCCCCCOCc1cccc(c1)I 7a_100000210259_100011218688 [1,1,0,0,0,0|0,0,1]=3 8184 B15R1.106 CCCCCCOCc1cccc(c1)I 7a_100011215336_100000210314 [1,1,0,0,0,0|0,0,1]=3 8185 B15R1.106 CCCCCCOCc1cccc(c1)N 34a_100000211919_100000210314 [1,1,0,0,0,0|0,0,1]=3 8186 B15R1.106 CCCCCCOCc1cccc(c1)O 34a_100000210259_100011660834 [1,1,0,0,0,0|0,0,1]=3 8187 B15R1.106 CCCCCCOCc1cccc(c1)O 7a_100000210259_100000084143 [1,1,0,0,0,0|0,0,1]=3 8188 B15R1.106 CCCCCCOCc1cccc(n1)Br 34a_100000210259_100009889011 [1,1,0,0,0,0|1,0,1]=4 8189 B15R1.106 CCCCCCOCc1cccc(n1)Br 34a_100000694195_100000210314 [1,1,0,0,0,0|1,0,1]=4 8190 B15R1.106 CCCCCCOCc1cccc(n1)Br 7a_100000210259_100009889011 [1,1,0,0,0,0|1,0,1]=4 8191 B15R1.106 CCCCCCOCc1cccc(n1)C 34a_100000210259_100000757606 [1,1,0,0,0,0|1,0,1]=4 8192 B15R1.106 CCCCCCOCc1cccc(n1)C 34a_100000690600_100000210314 [1,1,0,0,0,0|1,0,1]=4 8193 B15R1.106 CCCCCCOCc1cccc(n1)C 7a_100000210259_100000757606 [1,1,0,0,0,0|1,0,1]=4 8194 B15R1.106 CCCCCCOCc1cccc(n1)Cl 34a_100000210259_100000086093 [1,1,0,0,0,0|1,0,1]=4 8195 B15R1.106 CCCCCCOCc1cccc(n1)Cl 34a_100011998359_100000210314 [1,1,0,0,0,0|1,0,1]=4 8196 B15R1.106 CCCCCCOCc1cccc(n1)Cl 7a_100000210259_100000086093 [1,1,0,0,0,0|1,0,1]=4 8197 B15R1.106 CCCCCCOCc1cccc(n1)F 34a_100000086748_100000210314 [1,1,0,0,0,0|1,0,1]=4 8198 B15R1.106 CCCCCCOCc1cccc(n1)F 34a_100000210259_100009819644 [1,1,0,0,0,0|1,0,1]=4 8199 B15R1.106 CCCCCCOCc1cccc(n1)F 7a_100000210259_100009819644 [1,1,0,0,0,0|1,0,1]=4 8200 B15R1.106 CCCCCCOCc1ccnc(c1)Br 34a_100000210259_100010243470 [1,1,0,0,0,0|1,0,1]=4 8201 B15R1.106 CCCCCCOCc1ccnc(c1)Br 34a_100009814636_100000210314 [1,1,0,0,0,0|1,0,1]=4 8202 B15R1.106 CCCCCCOCc1ccnc(c1)Br 7a_100000210259_100010254460 [1,1,0,0,0,0|1,0,1]=4 8203 B15R1.106 CCCCCCOCc1ccnc(c1)Br 7a_100009814636_100000210314 [1,1,0,0,0,0|1,0,1]=4 8204 B15R1.106 CCCCCCOCc1ccnc(c1)C 34a_100000210259_200020672517 [1,1,0,0,0,0|1,0,1]=4 8205 B15R1.106 CCCCCCOCc1ccnc(c1)C 34a_100011998630_100000210314 [1,1,0,0,0,0|1,0,1]=4 8206 B15R1.106 CCCCCCOCc1ccnc(c1)C 7a_100000210259_200020672517 [1,1,0,0,0,0|1,0,1]=4 8207 B15R1.106 CCCCCCOCc1ccnc(c1)Cl 34a_100000210259_100000764220 [1,1,0,0,0,0|1,0,1]=4 8208 B15R1.106 CCCCCCOCc1ccnc(c1)Cl 34a_100000748751_100000210314 [1,1,0,0,0,0|1,0,1]=4 8209 B15R1.106 CCCCCCOCc1ccnc(c1)Cl 7a_100000210259_100000764220 [1,1,0,0,0,0|1,0,1]=4 8210 B15R1.106 CCCCCCOCc1ccnc(c1)F 34a_100000082451_100000210314 [1,1,0,0,0,0|1,0,1]=4 8211 B15R1.106 CCCCCCOCc1cncc(c1)Br 34a_100000210259_100000738771 [1,1,0,0,0,0|1,0,1]=4 8212 B15R1.106 CCCCCCOCc1cncc(c1)Br 34a_100011259137_100000210314 [1,1,0,0,0,0|1,0,1]=4 8213 B15R1.106 CCCCCCOCc1cncc(c1)Br 7a_100000210259_100000738771 [1,1,0,0,0,0|1,0,1]=4 8214 B15R1.106 CCCCCCOCc1cncc(c1)Br 7a_100011259137_100000210314 [1,1,0,0,0,0|1,0,1]=4 8215 B15R1.106 CCCCCCOCc1cncc(c1)C 34a_100000210259_100000716715 [1,1,0,0,0,0|1,0,1]=4 8216 B15R1.106 CCCCCCOCc1cncc(c1)C 34a_100011998709_100000210314 [1,1,0,0,0,0|1,0,1]=4 8217 B15R1.106 CCCCCCOCc1cncc(c1)C 7a_100000210259_100000716715 [1,1,0,0,0,0|1,0,1]=4 8218 B15R1.106 CCCCCCOCc1cncc(c1)C 7a_100011998709_100000210314 [1,1,0,0,0,0|1,0,1]=4 8219 B15R1.106 CCCCCCOCc1cncc(c1)Cl 34a_100000092867_100000210314 [1,1,0,0,0,0|1,0,1]=4 8220 B15R1.106 CCCCCCOCc1cncc(c1)Cl 34a_100000210259_100016992070 [1,1,0,0,0,0|1,0,1]=4 8221 B15R1.106 CCCCCCOCc1cncc(c1)Cl 7a_100000092867_100000210314 [1,1,0,0,0,0|1,0,1]=4 8222 B15R1.106 CCCCCCOCc1cncc(c1)Cl 7a_100000210259_100016992070 [1,1,0,0,0,0|1,0,1]=4 8223 B15R1.106 CCCCCCOCc1cncc(c1)F 34a_100000210259_100000725299 [1,1,0,0,0,0|1,0,1]=4 8224 B15R1.106 CCCCCCOCc1cncc(c1)F 34a_100011962875_100000210314 [1,1,0,0,0,0|1,0,1]=4 8225 B15R1.106 CCCCCCOCc1cncc(c1)F 7a_100000210259_100000725299 [1,1,0,0,0,0|1,0,1]=4 8226 B15R1.106 CCCCCCOCc1cncc(c1)F 7a_100011962875_100000210314 [1,1,0,0,0,0|1,0,1]=4 8227 B15R1.106 CCCCCCOCc1cncc(c1)N 34a_100000085308_100000210314 [1,1,0,0,0,0|1,0,1]=4 8228 B15R1.106 CCCCCCSCc1cccc(c1)Br 62a_100000210314_100000211773 [1,1,0,0,0,0|0,1,1]=4 8229 B15R1.106 CCCCCCSCc1cccc(c1)Br 62a_100000211773_100000210757 [1,1,0,0,0,0|0,1,1]=4 8230 B15R1.106 CCCCCCSCc1cccc(c1)C 62a_100000210314_100000211840 [1,1,0,0,0,0|0,1,1]=4 8231 B15R1.106 CCCCCCSCc1cccc(c1)C 62a_100000211840_100000210757 [1,1,0,0,0,0|0,1,1]=4 8232 B15R1.106 CCCCCCSCc1cccc(c1)Cl 62a_100000187163_100000210757 [1,1,0,0,0,0|0,1,1]=4 8233 B15R1.106 CCCCCCSCc1cccc(c1)Cl 62a_100000210314_100000187163 [1,1,0,0,0,0|0,1,1]=4 8234 B15R1.106 CCCCCCSCc1cccc(c1)F 62a_100000210314_100000230114 [1,1,0,0,0,0|0,1,1]=4 8235 B15R1.106 CCCCCCSCc1cccc(c1)F 62a_100000230114_100000210757 [1,1,0,0,0,0|0,1,1]=4 8236 B15R1.106 CCCCCCSCc1cccc(c1)I 62a_100000210314_100011218688 [1,1,0,0,0,0|0,1,1]=4 8237 B15R1.106 CCCCCCSCc1cccc(c1)I 62a_100011218688_100000210757 [1,1,0,0,0,0|0,1,1]=4 8238 B15R1.106 CCCCCCSCc1cccc(c1)O 62a_100000210314_100011660834 [1,1,0,0,0,0|0,1,1]=4 8239 B15R1.106 CCCCCCSCc1cccc(c1)O 62a_100011660834_100000210757 [1,1,0,0,0,0|0,1,1]=4 8240 B15R1.106 CCCCCNN=Cc1cccc(c1)Br 4a_100000694160_100000210085 [1,1,0,0,0,0|2,0,0]=4 8241 B15R1.106 CCCCCNN=Cc1cccc(c1)C 4a_100000694160_100000211157 [1,1,0,0,0,0|2,0,0]=4 8242 B15R1.106 CCCCCNN=Cc1cccc(c1)Cl 4a_100000694160_100000210801 [1,1,0,0,0,0|2,0,0]=4 8243 B15R1.106 CCCCCNN=Cc1cccc(c1)F 4a_100000694160_100000210812 [1,1,0,0,0,0|2,0,0]=4 8244 B15R1.106 CCCCCNN=Cc1cccc(c1)I 4a_100000694160_100000014684 [1,1,0,0,0,0|2,0,0]=4 8245 B15R1.106 CCCCCNN=Cc1cccc(c1)O 4a_100000694160_100000188321 [1,1,0,0,0,0|2,0,0]=4 8246 B15R1.106 CCCCNCC=Cc1cccc(c1)C 270004a_100000102301_100102525846 [1,1,0,0,0,0|2,0,0]=4 8247 B15R1.106 CCCCNCC=Cc1cccc(c1)Cl 270004a_100000102301_100016268971 [1,1,0,0,0,0|2,0,0]=4 8248 B15R1.106 CCCCOCOCc1cccc(c1)Br 34a_100000687537_100011995733 [1,1,0,0,0,0|1,0,1]=4 8249 B15R1.106 CCCCOCOCc1cccc(c1)C 34a_100011217746_100011995733 [1,1,0,0,0,0|1,0,1]=4 8250 B15R1.106 CCCCOCOCc1cccc(c1)Cl 34a_100000241301_100011995733 [1,1,0,0,0,0|1,0,1]=4 8251 B15R1.106 CCCCOCOCc1cccc(c1)F 34a_100000210976_100011995733 [1,1,0,0,0,0|1,0,1]=4 8252 B15R1.106 CCCCOCOCc1cccc(c1)I 34a_100011215336_100011995733 [1,1,0,0,0,0|1,0,1]=4 8253 B15R1.106 CCCCOCOCc1cccc(c1)N 34a_100000211919_100011995733 [1,1,0,0,0,0|1,0,1]=4 8254 B15R1.106 CCCOCCOCc1cccc(c1)Br 34a_100000687537_100011215938 [1,1,0,0,0,0|1,0,1]=4 8255 B15R1.106 CCCOCCOCc1cccc(c1)Br 34a_100000752267_100000698116 [1,1,0,0,0,0|1,0,1]=4 8256 B15R1.106 CCCOCCOCc1cccc(c1)Br 7a_100000687537_100011215938 [1,1,0,0,0,0|1,0,1]=4 8257 B15R1.106 CCCOCCOCc1cccc(c1)Br 7a_100000752267_100000211773 [1,1,0,0,0,0|1,0,1]=4 8258 B15R1.106 CCCOCCOCc1cccc(c1)C 34a_100000752267_100000211840 [1,1,0,0,0,0|1,0,1]=4 8259 B15R1.106 CCCOCCOCc1cccc(c1)C 34a_100011217746_100011215938 [1,1,0,0,0,0|1,0,1]=4 8260 B15R1.106 CCCOCCOCc1cccc(c1)C 7a_100000752267_100000211840 [1,1,0,0,0,0|1,0,1]=4 8261 B15R1.106 CCCOCCOCc1cccc(c1)C 7a_100011217746_100011215938 [1,1,0,0,0,0|1,0,1]=4 8262 B15R1.106 CCCOCCOCc1cccc(c1)Cl 34a_100000241301_100011215938 [1,1,0,0,0,0|1,0,1]=4 8263 B15R1.106 CCCOCCOCc1cccc(c1)Cl 34a_100000752267_100000187163 [1,1,0,0,0,0|1,0,1]=4 8264 B15R1.106 CCCOCCOCc1cccc(c1)Cl 7a_100000241301_100011215938 [1,1,0,0,0,0|1,0,1]=4 8265 B15R1.106 CCCOCCOCc1cccc(c1)Cl 7a_100000752267_100000187163 [1,1,0,0,0,0|1,0,1]=4 8266 B15R1.106 CCCOCCOCc1cccc(c1)F 34a_100000210976_100011215938 [1,1,0,0,0,0|1,0,1]=4 8267 B15R1.106 CCCOCCOCc1cccc(c1)F 34a_100000752267_100000187166 [1,1,0,0,0,0|1,0,1]=4 8268 B15R1.106 CCCOCCOCc1cccc(c1)F 7a_100000210976_100011215938 [1,1,0,0,0,0|1,0,1]=4 8269 B15R1.106 CCCOCCOCc1cccc(c1)F 7a_100000752267_100000230114 [1,1,0,0,0,0|1,0,1]=4 8270 B15R1.106 CCCOCCOCc1cccc(c1)I 34a_100000752267_100011218688 [1,1,0,0,0,0|1,0,1]=4 8271 B15R1.106 CCCOCCOCc1cccc(c1)I 34a_100011215336_100011215938 [1,1,0,0,0,0|1,0,1]=4 8272 B15R1.106 CCCOCCOCc1cccc(c1)I 7a_100000752267_100011218688 [1,1,0,0,0,0|1,0,1]=4 8273 B15R1.106 CCCOCCOCc1cccc(c1)I 7a_100011215336_100011215938 [1,1,0,0,0,0|1,0,1]=4 8274 B15R1.106 CCCOCCOCc1cccc(c1)N 34a_100000211919_100011215938 [1,1,0,0,0,0|1,0,1]=4 8275 B15R1.106 CCCOCCOCc1cccc(c1)O 34a_100000752267_100011660834 [1,1,0,0,0,0|1,0,1]=4 8276 B15R1.106 CCCOCCOCc1cccc(c1)O 7a_100000752267_100000084143 [1,1,0,0,0,0|1,0,1]=4 8277 B15R1.106 CCCSCCOCc1cccc(c1)Br 34a_200000230433_100000698116 [1,1,0,0,0,0|1,0,1]=4 8278 B15R1.106 CCCSCCOCc1cccc(c1)Br 7a_200000230433_100000211773 [1,1,0,0,0,0|1,0,1]=4 8279 B15R1.106 CCCSCCOCc1cccc(c1)C 34a_200000230433_100000211840 [1,1,0,0,0,0|1,0,1]=4 8280 B15R1.106 CCCSCCOCc1cccc(c1)C 7a_200000230433_100000211840 [1,1,0,0,0,0|1,0,1]=4 8281 B15R1.106 CCCSCCOCc1cccc(c1)Cl 34a_200000230433_100000187163 [1,1,0,0,0,0|1,0,1]=4 8282 B15R1.106 CCCSCCOCc1cccc(c1)Cl 7a_200000230433_100000187163 [1,1,0,0,0,0|1,0,1]=4 8283 B15R1.106 CCCSCCOCc1cccc(c1)F 34a_200000230433_100000187166 [1,1,0,0,0,0|1,0,1]=4 8284 B15R1.106 CCCSCCOCc1cccc(c1)F 7a_200000230433_100000230114 [1,1,0,0,0,0|1,0,1]=4 8285 B15R1.106 CCCSCCOCc1cccc(c1)I 34a_200000230433_100011218688 [1,1,0,0,0,0|1,0,1]=4 8286 B15R1.106 CCCSCCOCc1cccc(c1)I 7a_200000230433_100011218688 [1,1,0,0,0,0|1,0,1]=4 8287 B15R1.106 CCCSCCOCc1cccc(c1)O 34a_200000230433_100011660834 [1,1,0,0,0,0|1,0,1]=4 8288 B15R1.106 CCCSCCOCc1cccc(c1)O 7a_200000230433_100000084143 [1,1,0,0,0,0|1,0,1]=4 8289 B15R1.106 CCOCCCOCc1cccc(c1)Br 34a_100000687537_100012232248 [1,1,0,0,0,0|1,0,1]=4 8290 B15R1.106 CCOCCCOCc1cccc(c1)Br 34a_100000757476_100000698116 [1,1,0,0,0,0|1,0,1]=4 8291 B15R1.106 CCOCCCOCc1cccc(c1)Br 7a_100000687537_100012232248 [1,1,0,0,0,0|1,0,1]=4 8292 B15R1.106 CCOCCCOCc1cccc(c1)Br 7a_100000757476_100000211773 [1,1,0,0,0,0|1,0,1]=4 8293 B15R1.106 CCOCCCOCc1cccc(c1)C 34a_100000757476_100000211840 [1,1,0,0,0,0|1,0,1]=4 8294 B15R1.106 CCOCCCOCc1cccc(c1)C 34a_100011217746_100012232248 [1,1,0,0,0,0|1,0,1]=4 8295 B15R1.106 CCOCCCOCc1cccc(c1)C 7a_100000757476_100000211840 [1,1,0,0,0,0|1,0,1]=4 8296 B15R1.106 CCOCCCOCc1cccc(c1)C 7a_100011217746_100012232248 [1,1,0,0,0,0|1,0,1]=4 8297 B15R1.106 CCOCCCOCc1cccc(c1)Cl 34a_100000241301_100012232248 [1,1,0,0,0,0|1,0,1]=4 8298 B15R1.106 CCOCCCOCc1cccc(c1)Cl 34a_100000757476_100000187163 [1,1,0,0,0,0|1,0,1]=4 8299 B15R1.106 CCOCCCOCc1cccc(c1)Cl 7a_100000241301_100012232248 [1,1,0,0,0,0|1,0,1]=4 8300 B15R1.106 CCOCCCOCc1cccc(c1)Cl 7a_100000757476_100000187163 [1,1,0,0,0,0|1,0,1]=4 8301 B15R1.106 CCOCCCOCc1cccc(c1)F 34a_100000210976_100012232248 [1,1,0,0,0,0|1,0,1]=4 8302 B15R1.106 CCOCCCOCc1cccc(c1)F 34a_100000757476_100000187166 [1,1,0,0,0,0|1,0,1]=4 8303 B15R1.106 CCOCCCOCc1cccc(c1)F 7a_100000210976_100012232248 [1,1,0,0,0,0|1,0,1]=4 8304 B15R1.106 CCOCCCOCc1cccc(c1)F 7a_100000757476_100000230114 [1,1,0,0,0,0|1,0,1]=4 8305 B15R1.106 CCOCCCOCc1cccc(c1)I 34a_100000757476_100011218688 [1,1,0,0,0,0|1,0,1]=4 8306 B15R1.106 CCOCCCOCc1cccc(c1)I 34a_100011215336_100012232248 [1,1,0,0,0,0|1,0,1]=4 8307 B15R1.106 CCOCCCOCc1cccc(c1)I 7a_100000757476_100011218688 [1,1,0,0,0,0|1,0,1]=4 8308 B15R1.106 CCOCCCOCc1cccc(c1)I 7a_100011215336_100012232248 [1,1,0,0,0,0|1,0,1]=4 8309 B15R1.106 CCOCCCOCc1cccc(c1)N 34a_100000211919_100012232248 [1,1,0,0,0,0|1,0,1]=4 8310 B15R1.106 CCOCCCOCc1cccc(c1)O 34a_100000757476_100011660834 [1,1,0,0,0,0|1,0,1]=4 8311 B15R1.106 CCOCCCOCc1cccc(c1)O 7a_100000757476_100000084143 [1,1,0,0,0,0|1,0,1]=4 8312 B15R1.106 CCSCCCOCc1cccc(c1)Br 34a_100011216438_100000698116 [1,1,0,0,0,0|1,0,1]=4 8313 B15R1.106 CCSCCCOCc1cccc(c1)Br 7a_100011216438_100000211773 [1,1,0,0,0,0|1,0,1]=4 8314 B15R1.106 CCSCCCOCc1cccc(c1)C 34a_100011216438_100000211840 [1,1,0,0,0,0|1,0,1]=4 8315 B15R1.106 CCSCCCOCc1cccc(c1)C 7a_100011216438_100000211840 [1,1,0,0,0,0|1,0,1]=4 8316 B15R1.106 CCSCCCOCc1cccc(c1)Cl 34a_100011216438_100000187163 [1,1,0,0,0,0|1,0,1]=4 8317 B15R1.106 CCSCCCOCc1cccc(c1)Cl 7a_100011216438_100000187163 [1,1,0,0,0,0|1,0,1]=4 8318 B15R1.106 CCSCCCOCc1cccc(c1)F 34a_100011216438_100000187166 [1,1,0,0,0,0|1,0,1]=4 8319 B15R1.106 CCSCCCOCc1cccc(c1)F 7a_100011216438_100000230114 [1,1,0,0,0,0|1,0,1]=4 8320 B15R1.106 CCSCCCOCc1cccc(c1)I 34a_100011216438_100011218688 [1,1,0,0,0,0|1,0,1]=4 8321 B15R1.106 CCSCCCOCc1cccc(c1)I 7a_100011216438_100011218688 [1,1,0,0,0,0|1,0,1]=4 8322 B15R1.106 CCSCCCOCc1cccc(c1)O 34a_100011216438_100011660834 [1,1,0,0,0,0|1,0,1]=4 8323 B15R1.106 CCSCCCOCc1cccc(c1)O 7a_100011216438_100000084143 [1,1,0,0,0,0|1,0,1]=4 8324 B15R1.106 COCCCCOCc1cccc(c1)Br 34a_100000687537_100000755781 [1,1,0,0,0,0|1,0,1]=4 8325 B15R1.106 COCCCCOCc1cccc(c1)Br 34a_100000740925_100000698116 [1,1,0,0,0,0|1,0,1]=4 8326 B15R1.106 COCCCCOCc1cccc(c1)Br 7a_100000687537_100000730899 [1,1,0,0,0,0|1,0,1]=4 8327 B15R1.106 COCCCCOCc1cccc(c1)C 34a_100000740925_100000211840 [1,1,0,0,0,0|1,0,1]=4 8328 B15R1.106 COCCCCOCc1cccc(c1)C 34a_100011217746_100000755781 [1,1,0,0,0,0|1,0,1]=4 8329 B15R1.106 COCCCCOCc1cccc(c1)C 7a_100011217746_100000730899 [1,1,0,0,0,0|1,0,1]=4 8330 B15R1.106 COCCCCOCc1cccc(c1)Cl 34a_100000241301_100000755781 [1,1,0,0,0,0|1,0,1]=4 8331 B15R1.106 COCCCCOCc1cccc(c1)Cl 34a_100000740925_100000187163 [1,1,0,0,0,0|1,0,1]=4 8332 B15R1.106 COCCCCOCc1cccc(c1)Cl 7a_100000241301_100000730899 [1,1,0,0,0,0|1,0,1]=4 8333 B15R1.106 COCCCCOCc1cccc(c1)F 34a_100000210976_100000755781 [1,1,0,0,0,0|1,0,1]=4 8334 B15R1.106 COCCCCOCc1cccc(c1)F 34a_100000740925_100000187166 [1,1,0,0,0,0|1,0,1]=4 8335 B15R1.106 COCCCCOCc1cccc(c1)F 7a_100000210976_100000730899 [1,1,0,0,0,0|1,0,1]=4 8336 B15R1.106 COCCCCOCc1cccc(c1)I 34a_100000740925_100011218688 [1,1,0,0,0,0|1,0,1]=4 8337 B15R1.106 COCCCCOCc1cccc(c1)I 34a_100011215336_100000755781 [1,1,0,0,0,0|1,0,1]=4 8338 B15R1.106 COCCCCOCc1cccc(c1)I 7a_100011215336_100000730899 [1,1,0,0,0,0|1,0,1]=4 8339 B15R1.106 COCCCCOCc1cccc(c1)N 34a_100000211919_100000755781 [1,1,0,0,0,0|1,0,1]=4 8340 B15R1.106 COCCCCOCc1cccc(c1)O 34a_100000740925_100011660834 [1,1,0,0,0,0|1,0,1]=4 8341 B15R1.106 CSCCCCOCc1cccc(c1)Br 34a_100011217163_100000698116 [1,1,0,0,0,0|1,0,1]=4 8342 B15R1.106 CSCCCCOCc1cccc(c1)Br 7a_100011217163_100000211773 [1,1,0,0,0,0|1,0,1]=4 8343 B15R1.106 CSCCCCOCc1cccc(c1)C 34a_100011217163_100000211840 [1,1,0,0,0,0|1,0,1]=4 8344 B15R1.106 CSCCCCOCc1cccc(c1)C 7a_100011217163_100000211840 [1,1,0,0,0,0|1,0,1]=4 8345 B15R1.106 CSCCCCOCc1cccc(c1)Cl 34a_100011217163_100000187163 [1,1,0,0,0,0|1,0,1]=4 8346 B15R1.106 CSCCCCOCc1cccc(c1)Cl 7a_100011217163_100000187163 [1,1,0,0,0,0|1,0,1]=4 8347 B15R1.106 CSCCCCOCc1cccc(c1)F 34a_100011217163_100000187166 [1,1,0,0,0,0|1,0,1]=4 8348 B15R1.106 CSCCCCOCc1cccc(c1)F 7a_100011217163_100000230114 [1,1,0,0,0,0|1,0,1]=4 8349 B15R1.106 CSCCCCOCc1cccc(c1)I 34a_100011217163_100011218688 [1,1,0,0,0,0|1,0,1]=4 8350 B15R1.106 CSCCCCOCc1cccc(c1)I 7a_100011217163_100011218688 [1,1,0,0,0,0|1,0,1]=4 8351 B15R1.106 CSCCCCOCc1cccc(c1)O 34a_100011217163_100011660834 [1,1,0,0,0,0|1,0,1]=4 8352 B15R1.106 CSCCCCOCc1cccc(c1)O 7a_100011217163_100000084143 [1,1,0,0,0,0|1,0,1]=4 8353 B15R1.106 Cc1cccc(c1)COCCCCCBr 34a_100000746331_100000211840 [1,1,0,0,0,0|1,0,1]=4 8354 B15R1.106 Cc1cccc(c1)COCCCCCBr 7a_100000746331_100000211840 [1,1,0,0,0,0|1,0,1]=4 8355 B15R1.106 Cc1cccc(c1)COCCCCCCl 34a_100000746330_100000211840 [1,1,0,0,0,0|1,0,1]=4 8356 B15R1.106 Cc1cccc(c1)COCCCCCCl 7a_100000746330_100000211840 [1,1,0,0,0,0|1,0,1]=4 8357 B15R1.106 Cc1cccc(c1)COCCCCCF 34a_100011217746_100000729378 [1,1,0,0,0,0|1,0,1]=4 8358 B15R1.106 Cc1cccc(c1)COCCCCCF 7a_100011217746_100000729378 [1,1,0,0,0,0|1,0,1]=4 8359 B15R1.106 Cc1cccc(c1)COCCCCCI 34a_200012148887_100000211840 [1,1,0,0,0,0|1,0,1]=4 8360 B15R1.106 Cc1cccc(c1)COCCCCCI 7a_200012148887_100000211840 [1,1,0,0,0,0|1,0,1]=4 8361 B15R1.106 Cc1cccc(c1)COCCCCCN 34a_100000762737_100000211840 [1,1,0,0,0,0|1,0,1]=4 8362 B15R1.106 Cc1cccc(c1)COCCCCCO 34a_100011217746_100000746330 [1,1,0,0,0,0|1,0,1]=4 8363 B15R1.106 Cc1cccc(c1)COCCCCCO 7a_100011217746_100000746330 [1,1,0,0,0,0|1,0,1]=4 8364 B15R1.106 ClCCCCCOCc1cccc(c1)Br 34a_100000746330_100000698116 [1,1,0,0,0,0|1,0,1]=4 8365 B15R1.106 ClCCCCCOCc1cccc(c1)Br 7a_100000746330_100000211773 [1,1,0,0,0,0|1,0,1]=4 8366 B15R1.106 ClCCCCCOCc1cccc(c1)Cl 34a_100000746330_100000187163 [1,1,0,0,0,0|1,0,1]=4 8367 B15R1.106 ClCCCCCOCc1cccc(c1)Cl 7a_100000746330_100000187163 [1,1,0,0,0,0|1,0,1]=4 8368 B15R1.106 ClCCCCCOCc1cccc(c1)I 34a_100000746330_100011218688 [1,1,0,0,0,0|1,0,1]=4 8369 B15R1.106 ClCCCCCOCc1cccc(c1)I 7a_100000746330_100011218688 [1,1,0,0,0,0|1,0,1]=4 8370 B15R1.106 Clc1cccc(c1)COCCCCCBr 34a_100000746331_100000187163 [1,1,0,0,0,0|1,0,1]=4 8371 B15R1.106 Clc1cccc(c1)COCCCCCBr 7a_100000746331_100000187163 [1,1,0,0,0,0|1,0,1]=4 8372 B15R1.106 Clc1cccc(c1)COCCCCCI 34a_200012148887_100000187163 [1,1,0,0,0,0|1,0,1]=4 8373 B15R1.106 Clc1cccc(c1)COCCCCCI 7a_200012148887_100000187163 [1,1,0,0,0,0|1,0,1]=4 8374 B15R1.106 FCCCCCOCc1cccc(c1)Br 34a_100000687537_100000729378 [1,1,0,0,0,0|1,0,1]=4 8375 B15R1.106 FCCCCCOCc1cccc(c1)Br 7a_100000687537_100000729378 [1,1,0,0,0,0|1,0,1]=4 8376 B15R1.106 FCCCCCOCc1cccc(c1)Cl 34a_100000241301_100000729378 [1,1,0,0,0,0|1,0,1]=4 8377 B15R1.106 FCCCCCOCc1cccc(c1)Cl 7a_100000241301_100000729378 [1,1,0,0,0,0|1,0,1]=4 8378 B15R1.106 FCCCCCOCc1cccc(c1)F 34a_100000210976_100000729378 [1,1,0,0,0,0|1,0,1]=4 8379 B15R1.106 FCCCCCOCc1cccc(c1)F 7a_100000210976_100000729378 [1,1,0,0,0,0|1,0,1]=4 8380 B15R1.106 FCCCCCOCc1cccc(c1)I 34a_100011215336_100000729378 [1,1,0,0,0,0|1,0,1]=4 8381 B15R1.106 FCCCCCOCc1cccc(c1)I 7a_100011215336_100000729378 [1,1,0,0,0,0|1,0,1]=4 8382 B15R1.106 Fc1cccc(c1)COCCCCCBr 34a_100000746331_100000187166 [1,1,0,0,0,0|1,0,1]=4 8383 B15R1.106 Fc1cccc(c1)COCCCCCBr 7a_100000746331_100000230114 [1,1,0,0,0,0|1,0,1]=4 8384 B15R1.106 Fc1cccc(c1)COCCCCCCl 34a_100000746330_100000187166 [1,1,0,0,0,0|1,0,1]=4 8385 B15R1.106 Fc1cccc(c1)COCCCCCCl 7a_100000746330_100000230114 [1,1,0,0,0,0|1,0,1]=4 8386 B15R1.106 Fc1cccc(c1)COCCCCCI 34a_200012148887_100000187166 [1,1,0,0,0,0|1,0,1]=4 8387 B15R1.106 Fc1cccc(c1)COCCCCCI 7a_200012148887_100000230114 [1,1,0,0,0,0|1,0,1]=4 8388 B15R1.106 ICCCCCOCc1cccc(c1)I 34a_200012148887_100011218688 [1,1,0,0,0,0|1,0,1]=4 8389 B15R1.106 ICCCCCOCc1cccc(c1)I 7a_200012148887_100011218688 [1,1,0,0,0,0|1,0,1]=4 8390 B15R1.106 NCCCCCOCc1cccc(c1)Br 34a_100000762737_100000698116 [1,1,0,0,0,0|1,0,1]=4 8391 B15R1.106 NCCCCCOCc1cccc(c1)Cl 34a_100000762737_100000187163 [1,1,0,0,0,0|1,0,1]=4 8392 B15R1.106 NCCCCCOCc1cccc(c1)F 34a_100000762737_100000187166 [1,1,0,0,0,0|1,0,1]=4 8393 B15R1.106 NCCCCCOCc1cccc(c1)I 34a_100000762737_100011218688 [1,1,0,0,0,0|1,0,1]=4 8394 B15R1.106 NCCCCCOCc1cccc(c1)O 34a_100000762737_100011660834 [1,1,0,0,0,0|1,0,1]=4 8395 B15R1.106 Nc1cccc(c1)COCCCCCF 34a_100000211919_100000729378 [1,1,0,0,0,0|1,0,1]=4 8396 B15R1.106 Nc1cccc(c1)COCCCCCO 34a_100000211919_100000746330 [1,1,0,0,0,0|1,0,1]=4 8397 B15R1.106 OCCCCCOCc1cccc(c1)Br 34a_100000687537_100000746330 [1,1,0,0,0,0|1,0,1]=4 8398 B15R1.106 OCCCCCOCc1cccc(c1)Br 7a_100000687537_100000746330 [1,1,0,0,0,0|1,0,1]=4 8399 B15R1.106 OCCCCCOCc1cccc(c1)Cl 34a_100000241301_100000746330 [1,1,0,0,0,0|1,0,1]=4 8400 B15R1.106 OCCCCCOCc1cccc(c1)Cl 7a_100000241301_100000746330 [1,1,0,0,0,0|1,0,1]=4 8401 B15R1.106 OCCCCCOCc1cccc(c1)F 34a_100000210976_100000746330 [1,1,0,0,0,0|1,0,1]=4 8402 B15R1.106 OCCCCCOCc1cccc(c1)F 7a_100000210976_100000746330 [1,1,0,0,0,0|1,0,1]=4 8403 B15R1.106 OCCCCCOCc1cccc(c1)I 34a_100011215336_100000746330 [1,1,0,0,0,0|1,0,1]=4 8404 B15R1.106 OCCCCCOCc1cccc(c1)I 7a_100011215336_100000746330 [1,1,0,0,0,0|1,0,1]=4 8405 B15R1.106 Oc1cccc(c1)COCCCCCBr 34a_100000746331_100011660834 [1,1,0,0,0,0|1,0,1]=4 8406 B15R1.106 Oc1cccc(c1)COCCCCCBr 7a_100000746331_100000084143 [1,1,0,0,0,0|1,0,1]=4 8407 B15R1.106 Oc1cccc(c1)COCCCCCCl 34a_100000746330_100011660834 [1,1,0,0,0,0|1,0,1]=4 8408 B15R1.106 Oc1cccc(c1)COCCCCCCl 7a_100000746330_100000084143 [1,1,0,0,0,0|1,0,1]=4 8409 B15R1.106 Oc1cccc(c1)COCCCCCI 34a_200012148887_100011660834 [1,1,0,0,0,0|1,0,1]=4 8410 B15R1.106 Oc1cccc(c1)COCCCCCI 7a_200012148887_100000084143 [1,1,0,0,0,0|1,0,1]=4 8411 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100000210183_100016265936 [1,1,0,0,0,0|1,0,1]=4 8412 B15R1.157 CCCCC(=O)C/C=C/c1ccccc1 1458a_100011219626_100000210211 [1,1,0,0,0,0|1,0,1]=4 8413 B15R1.157 CCCCC(=O)COCc1ccccc1 1458a_100000230186_100000210211 [1,1,0,0,0,0|0,0,2]=4 8414 B15R1.157 CCCCC(C)COCc1ccccc1 34a_100011995851_100015291786 [1,1,0,0,0,0|0,0,1]=3 8415 B15R1.157 CCCCC(C)COCc1ccccc1 7a_100011995851_100000211182 [1,1,0,0,0,0|0,0,1]=3 8416 B15R1.157 CCCCC(C)COCc1ccccn1 34a_100011995851_100000721315 [1,1,0,0,0,0|1,0,1]=4 8417 B15R1.157 CCCCC(C)COCc1ccccn1 7a_100011995851_100000721315 [1,1,0,0,0,0|1,0,1]=4 8418 B15R1.157 CCCCC(C)COCc1cccnc1 34a_100011995851_100000733263 [1,1,0,0,0,0|1,0,1]=4 8419 B15R1.157 CCCCC(C)COCc1cccnc1 7a_100011995851_100000741622 [1,1,0,0,0,0|1,0,1]=4 8420 B15R1.157 CCCCC(C)COCc1ccncc1 7a_100011995851_100015193705 [1,1,0,0,0,0|1,0,1]=4 8421 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 2230a_100000207549_100016265936 [1,1,0,0,0,0|2,0,0]=4 8422 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 2230a_100020603575_200000210301 [1,1,0,0,0,0|2,0,0]=4 8423 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 269982a_100000207549_100016265936 [1,1,0,0,0,0|2,0,0]=4 8424 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 269982a_100020603575_200000210301 [1,1,0,0,0,0|2,0,0]=4 8425 B15R1.157 CCCCN(C)C/C=C/c1ccccc1 34a_100020603575_200000210301 [1,1,0,0,0,0|2,0,0]=4 8426 B15R1.157 CCCCN(C)CC=Cc1ccccc1 270004a_100000207549_100000210105 [1,1,0,0,0,0|2,0,0]=4 8427 B15R1.157 CCCCN(C)COCc1ccccc1 2230a_100000207549_100000763385 [1,1,0,0,0,0|1,0,1]=4 8428 B15R1.157 CCCCN([13CH3])C/C=C/c1ccccc1 2230a_100020603575_200025704644 [1,1,0,0,0,0|2,0,0]=4 8429 B15R1.157 CCCCN([13CH3])C/C=C/c1ccccc1 269982a_100020603575_200025704644 [1,1,0,0,0,0|2,0,0]=4 8430 B15R1.157 CCCCN([13CH3])C/C=C/c1ccccc1 34a_100020603575_200025704644 [1,1,0,0,0,0|2,0,0]=4 8431 B15R1.157 CCCC[C@H](N)COCc1ccccc1 34a_100011934283_100015291786 [1,1,0,0,0,0|0,0,1]=3 8432 B15R1.157 CCCC[C@H](N)COCc1ccccn1 34a_100011934283_100000721315 [1,1,0,0,0,0|1,0,1]=4 8433 B15R1.157 CCCC[C@H](N)COCc1cccnc1 34a_100011934283_100000733263 [1,1,0,0,0,0|1,0,1]=4 8434 B15R1.157 CCCNC(C)COCc1ccccc1 270004a_100020643023_100011215004 [1,1,0,0,0,0|1,0,1]=4 8435 B15R1.157 CCCOC(C)COCc1ccccc1 34a_100000764311_100000210303 [1,1,0,0,0,0|1,0,1]=4 8436 B15R1.157 CCCOC(C)COCc1ccccc1 7a_100000764311_100000210303 [1,1,0,0,0,0|1,0,1]=4 8437 B15R1.157 CCNCC(C)COCc1ccccc1 2230a_100015525214_100011216253 [1,1,0,0,0,0|1,0,1]=4 8438 B15R1.157 CCOCC(C)COCc1ccccc1 34a_100121572206_100011216253 [1,1,0,0,0,0|1,0,1]=4 8439 B15R1.157 CCOCC(C)COCc1ccccc1 34a_200011216033_100000210202 [1,1,0,0,0,0|1,0,1]=4 8440 B15R1.157 CCOCC(C)COCc1ccccc1 7a_200011216033_100000210202 [1,1,0,0,0,0|1,0,1]=4 8441 B15R1.157 CCOC[C@@H](N)COCc1ccccc1 34a_100016995297_100000210202 [1,1,0,0,0,0|1,0,1]=4 8442 B15R1.157 CCSCC(C)COCc1ccccc1 62a_100000210202_100011216253 [1,1,0,0,0,0|1,0,1]=4 8443 B15R1.157 CCSCC(C)COCc1ccccc1 62a_100011216253_100000210202 [1,1,0,0,0,0|1,0,1]=4 8444 B15R1.157 CSCC[C@H](N)COCc1ccccc1 34a_100011827619_100015291786 [1,1,0,0,0,0|1,0,1]=4 8445 B15R1.220 BrCCCCCOCc1ccccc1Br 34a_100000746331_100000184730 [1,1,0,0,0,0|1,0,1]=4 8446 B15R1.220 BrCCCCCOCc1ccccc1Br 7a_100000746331_100000184730 [1,1,0,0,0,0|1,0,1]=4 8447 B15R1.220 BrCCCCCOCc1ccccc1I 34a_100000746331_100011215278 [1,1,0,0,0,0|1,0,1]=4 8448 B15R1.220 BrCCCCCOCc1ccccc1I 7a_100000746331_100011215278 [1,1,0,0,0,0|1,0,1]=4 8449 B15R1.220 Brc1ccccc1COCCCCCI 34a_200012148887_100000184730 [1,1,0,0,0,0|1,0,1]=4 8450 B15R1.220 Brc1ccccc1COCCCCCI 7a_200012148887_100000184730 [1,1,0,0,0,0|1,0,1]=4 8451 B15R1.220 CCCCCCC=Cc1c[nH]ccc1=O 271570a_200015348155_100009998708 [1,1,0,0,0,0|2,0,0]=4 8452 B15R1.220 CCCCCCC=Cc1c[nH]ccc1=S 271570a_200015348155_200012280681 [1,1,0,0,0,0|2,0,0]=4 8453 B15R1.220 CCCCCCC=Cc1ccc[nH]c1=O 271570a_200015348155_100000050042 [1,1,0,0,0,0|2,0,0]=4 8454 B15R1.220 CCCCCCC=Cc1cccc[n+]1C 271570a_200015348155_100000212160 [1,1,0,0,0,0|2,0,0]=4 8455 B15R1.220 CCCCCCC=Cc1cccc[n+]1[O-] 271570a_200015348155_200000042595 [1,1,0,0,0,0|2,0,0]=4 8456 B15R1.220 CCCCCCC=Cc1ccccc1Br 271570a_200015348155_100000695589 [1,1,0,0,0,0|1,0,0]=3 8457 B15R1.220 CCCCCCC=Cc1ccccc1C 271570a_200015348155_100000210755 [1,1,0,0,0,0|1,0,0]=3 8458 B15R1.220 CCCCCCC=Cc1ccccc1Cl 271570a_200015348155_100000764095 [1,1,0,0,0,0|1,0,0]=3 8459 B15R1.220 CCCCCCC=Cc1ccccc1F 271570a_200015348155_100011215700 [1,1,0,0,0,0|1,0,0]=3 8460 B15R1.220 CCCCCCC=Cc1ccccc1N 271570a_200015348155_100000210017 [1,1,0,0,0,0|1,0,0]=3 8461 B15R1.220 CCCCCCC=Cc1ccccc1O 271570a_200015348155_100000739446 [1,1,0,0,0,0|1,0,0]=3 8462 B15R1.220 CCCCCCC=Cc1cccnc1Br 271570a_200015348155_100010202626 [1,1,0,0,0,0|2,0,0]=4 8463 B15R1.220 CCCCCCC=Cc1cccnc1C 271570a_200015348155_100000751574 [1,1,0,0,0,0|2,0,0]=4 8464 B15R1.220 CCCCCCC=Cc1cccnc1Cl 271570a_200015348155_100000036424 [1,1,0,0,0,0|2,0,0]=4 8465 B15R1.220 CCCCCCC=Cc1cccnc1F 271570a_200015348155_100009816115 [1,1,0,0,0,0|2,0,0]=4 8466 B15R1.220 CCCCCCC=Cc1cccnc1N 271570a_200015348155_100000045569 [1,1,0,0,0,0|2,0,0]=4 8467 B15R1.220 CCCCCCC=Cc1ccncc1Br 271570a_200015348155_100000726257 [1,1,0,0,0,0|2,0,0]=4 8468 B15R1.220 CCCCCCC=Cc1ccncc1C 271570a_200015348155_100015191297 [1,1,0,0,0,0|2,0,0]=4 8469 B15R1.220 CCCCCCC=Cc1ccncc1Cl 271570a_200015348155_100000708259 [1,1,0,0,0,0|2,0,0]=4 8470 B15R1.220 CCCCCCC=Cc1ccncc1F 271570a_200015348155_100000047030 [1,1,0,0,0,0|2,0,0]=4 8471 B15R1.220 CCCCCCC=Cc1ccncc1N 271570a_200015348155_100009815883 [1,1,0,0,0,0|2,0,0]=4 8472 B15R1.220 CCCCCCC=Cc1ccncc1O 271570a_200015348155_100009817591 [1,1,0,0,0,0|2,0,0]=4 8473 B15R1.220 CCCCCCC=Cc1cnccc1Br 271570a_200015348155_100010138639 [1,1,0,0,0,0|2,0,0]=4 8474 B15R1.220 CCCCCCC=Cc1cnccc1C 271570a_200015348155_100000761580 [1,1,0,0,0,0|2,0,0]=4 8475 B15R1.220 CCCCCCC=Cc1cnccc1Cl 271570a_200015348155_100009995489 [1,1,0,0,0,0|2,0,0]=4 8476 B15R1.220 CCCCCCC=Cc1cnccc1F 271570a_200015348155_100009820683 [1,1,0,0,0,0|2,0,0]=4 8477 B15R1.220 CCCCCCC=Cc1cnccc1N 271570a_200015348155_100000047001 [1,1,0,0,0,0|2,0,0]=4 8478 B15R1.220 CCCCCCC=Cc1ncccc1Br 271570a_200015348155_100000696092 [1,1,0,0,0,0|2,0,0]=4 8479 B15R1.220 CCCCCCC=Cc1ncccc1C 271570a_200015348155_100000751373 [1,1,0,0,0,0|2,0,0]=4 8480 B15R1.220 CCCCCCC=Cc1ncccc1Cl 271570a_200015348155_100011356963 [1,1,0,0,0,0|2,0,0]=4 8481 B15R1.220 CCCCCCC=Cc1ncccc1F 271570a_200015348155_100000685392 [1,1,0,0,0,0|2,0,0]=4 8482 B15R1.220 CCCCCCC=Cc1ncccc1N 271570a_200015348155_100000688686 [1,1,0,0,0,0|2,0,0]=4 8483 B15R1.220 CCCCCCC=Cc1ncccc1O 271570a_200015348155_100000034122 [1,1,0,0,0,0|2,0,0]=4 8484 B15R1.220 CCCCCCCNc1ccccc1Br 34a_100000210017_100000210614 [1,1,0,0,0,0|2,0,0]=4 8485 B15R1.220 CCCCCCCNc1ccccc1C 34a_100015192222_100000210614 [1,1,0,0,0,0|2,0,0]=4 8486 B15R1.220 CCCCCCCNc1ccccc1Cl 34a_100000185783_100000210614 [1,1,0,0,0,0|2,0,0]=4 8487 B15R1.220 CCCCCCCNc1ccccc1F 34a_100000210422_100000210614 [1,1,0,0,0,0|2,0,0]=4 8488 B15R1.220 CCCCCCCNc1ccccc1I 34a_100000210053_100000210614 [1,1,0,0,0,0|2,0,0]=4 8489 B15R1.220 CCCCCCCNc1ccccc1O 34a_100000185747_100000210614 [1,1,0,0,0,0|2,0,0]=4 8490 B15R1.220 CCCCCCCOc1ccccc1Br 34a_100000181306_100000210614 [1,1,0,0,0,0|2,0,0]=4 8491 B15R1.220 CCCCCCCOc1ccccc1Br 7a_100000181306_100000210614 [1,1,0,0,0,0|2,0,0]=4 8492 B15R1.220 CCCCCCCOc1ccccc1C 34a_100000210338_100000210614 [1,1,0,0,0,0|2,0,0]=4 8493 B15R1.220 CCCCCCCOc1ccccc1C 7a_100000210338_100000210614 [1,1,0,0,0,0|2,0,0]=4 8494 B15R1.220 CCCCCCCOc1ccccc1Cl 34a_100000210172_100000210614 [1,1,0,0,0,0|2,0,0]=4 8495 B15R1.220 CCCCCCCOc1ccccc1Cl 7a_100000210172_100000210614 [1,1,0,0,0,0|2,0,0]=4 8496 B15R1.220 CCCCCCCOc1ccccc1F 34a_100000210171_100000210614 [1,1,0,0,0,0|2,0,0]=4 8497 B15R1.220 CCCCCCCOc1ccccc1F 7a_100000210171_100000210614 [1,1,0,0,0,0|2,0,0]=4 8498 B15R1.220 CCCCCCCOc1ccccc1I 34a_100000739446_100000210614 [1,1,0,0,0,0|2,0,0]=4 8499 B15R1.220 CCCCCCCOc1ccccc1I 7a_100000739446_100000210614 [1,1,0,0,0,0|2,0,0]=4 8500 B15R1.220 CCCCCCCOc1ccccc1N 34a_100000185747_100000210614 [1,1,0,0,0,0|2,0,0]=4 8501 B15R1.220 CCCCCCCOc1ccccc1N 7a_100000185747_100000210614 [1,1,0,0,0,0|2,0,0]=4 8502 B15R1.220 CCCCCCCSc1ccccc1Br 62a_100000210614_100000695589 [1,1,0,0,0,0|2,0,0]=4 8503 B15R1.220 CCCCCCCSc1ccccc1Br 62a_100000695589_100000210316 [1,1,0,0,0,0|2,0,0]=4 8504 B15R1.220 CCCCCCCSc1ccccc1C 62a_100000210614_100000210755 [1,1,0,0,0,0|2,0,0]=4 8505 B15R1.220 CCCCCCCSc1ccccc1C 62a_100000210755_100000210316 [1,1,0,0,0,0|2,0,0]=4 8506 B15R1.220 CCCCCCCSc1ccccc1Cl 62a_100000210614_100000764095 [1,1,0,0,0,0|2,0,0]=4 8507 B15R1.220 CCCCCCCSc1ccccc1Cl 62a_100000764095_100000210316 [1,1,0,0,0,0|2,0,0]=4 8508 B15R1.220 CCCCCCCSc1ccccc1F 62a_100000210614_100011215700 [1,1,0,0,0,0|2,0,0]=4 8509 B15R1.220 CCCCCCCSc1ccccc1F 62a_100011215700_100000210316 [1,1,0,0,0,0|2,0,0]=4 8510 B15R1.220 CCCCCCCSc1ccccc1N 62a_100000210017_100000210316 [1,1,0,0,0,0|2,0,0]=4 8511 B15R1.220 CCCCCCCSc1ccccc1N 62a_100000210614_100000210017 [1,1,0,0,0,0|2,0,0]=4 8512 B15R1.220 CCCCCCCSc1ccccc1O 62a_100000210614_100000739446 [1,1,0,0,0,0|2,0,0]=4 8513 B15R1.220 CCCCCCCSc1ccccc1O 62a_100000739446_100000210316 [1,1,0,0,0,0|2,0,0]=4 8514 B15R1.220 CCCCCCNCc1ccccc1Br 207a_100000210581_100000211189 [1,1,0,0,0,0|1,0,1]=4 8515 B15R1.220 CCCCCCNCc1ccccc1Br 2230a_100000210581_100000184730 [1,1,0,0,0,0|1,0,1]=4 8516 B15R1.220 CCCCCCNCc1ccccc1Br 2230a_100000689332_100000210314 [1,1,0,0,0,0|1,0,1]=4 8517 B15R1.220 CCCCCCNCc1ccccc1Br 270004a_100000210581_100000211189 [1,1,0,0,0,0|1,0,1]=4 8518 B15R1.220 CCCCCCNCc1ccccc1Br 34a_100000689332_100000210314 [1,1,0,0,0,0|1,0,1]=4 8519 B15R1.220 CCCCCCNCc1ccccc1C 207a_100000210581_100000211143 [1,1,0,0,0,0|1,0,1]=4 8520 B15R1.220 CCCCCCNCc1ccccc1C 2230a_100000210581_100000211839 [1,1,0,0,0,0|1,0,1]=4 8521 B15R1.220 CCCCCCNCc1ccccc1C 270004a_100000210581_100000211143 [1,1,0,0,0,0|1,0,1]=4 8522 B15R1.220 CCCCCCNCc1ccccc1C 34a_100000174972_100000210314 [1,1,0,0,0,0|1,0,1]=4 8523 B15R1.220 CCCCCCNCc1ccccc1Cl 207a_100000210581_100000210073 [1,1,0,0,0,0|1,0,1]=4 8524 B15R1.220 CCCCCCNCc1ccccc1Cl 2230a_100000174879_100000210314 [1,1,0,0,0,0|1,0,1]=4 8525 B15R1.220 CCCCCCNCc1ccccc1Cl 2230a_100000210581_100000187162 [1,1,0,0,0,0|1,0,1]=4 8526 B15R1.220 CCCCCCNCc1ccccc1Cl 270004a_100000210581_100000210073 [1,1,0,0,0,0|1,0,1]=4 8527 B15R1.220 CCCCCCNCc1ccccc1Cl 34a_100000174879_100000210314 [1,1,0,0,0,0|1,0,1]=4 8528 B15R1.220 CCCCCCNCc1ccccc1F 207a_100000210581_100000210811 [1,1,0,0,0,0|1,0,1]=4 8529 B15R1.220 CCCCCCNCc1ccccc1F 2230a_100000210581_100000211605 [1,1,0,0,0,0|1,0,1]=4 8530 B15R1.220 CCCCCCNCc1ccccc1F 270004a_100000210581_100000210811 [1,1,0,0,0,0|1,0,1]=4 8531 B15R1.220 CCCCCCNCc1ccccc1F 34a_100000174869_100000210314 [1,1,0,0,0,0|1,0,1]=4 8532 B15R1.220 CCCCCCNCc1ccccc1I 207a_100000210581_100000010305 [1,1,0,0,0,0|1,0,1]=4 8533 B15R1.220 CCCCCCNCc1ccccc1I 2230a_100000210581_100011215278 [1,1,0,0,0,0|1,0,1]=4 8534 B15R1.220 CCCCCCNCc1ccccc1I 270004a_100000210581_100000010305 [1,1,0,0,0,0|1,0,1]=4 8535 B15R1.220 CCCCCCNCc1ccccc1O 34a_100000185550_100000210314 [1,1,0,0,0,0|1,0,1]=4 8536 B15R1.220 CCCCCCOCc1ccccc1Br 34a_100000210259_100000184730 [1,1,0,0,0,0|0,0,1]=3 8537 B15R1.220 CCCCCCOCc1ccccc1Br 34a_100000756307_100000210314 [1,1,0,0,0,0|0,0,1]=3 8538 B15R1.220 CCCCCCOCc1ccccc1Br 7a_100000210259_100000184730 [1,1,0,0,0,0|0,0,1]=3 8539 B15R1.220 CCCCCCOCc1ccccc1Br 7a_100000756307_100000210314 [1,1,0,0,0,0|0,0,1]=3 8540 B15R1.220 CCCCCCOCc1ccccc1C 34a_100000210259_100000211839 [1,1,0,0,0,0|0,0,1]=3 8541 B15R1.220 CCCCCCOCc1ccccc1C 34a_100000698903_100000210314 [1,1,0,0,0,0|0,0,1]=3 8542 B15R1.220 CCCCCCOCc1ccccc1C 7a_100000210259_100000211839 [1,1,0,0,0,0|0,0,1]=3 8543 B15R1.220 CCCCCCOCc1ccccc1C 7a_100000698903_100000210314 [1,1,0,0,0,0|0,0,1]=3 8544 B15R1.220 CCCCCCOCc1ccccc1Cl 34a_100000210259_100000187162 [1,1,0,0,0,0|0,0,1]=3 8545 B15R1.220 CCCCCCOCc1ccccc1Cl 34a_100000210847_100000210314 [1,1,0,0,0,0|0,0,1]=3 8546 B15R1.220 CCCCCCOCc1ccccc1Cl 7a_100000210259_100000187162 [1,1,0,0,0,0|0,0,1]=3 8547 B15R1.220 CCCCCCOCc1ccccc1Cl 7a_100000210847_100000210314 [1,1,0,0,0,0|0,0,1]=3 8548 B15R1.220 CCCCCCOCc1ccccc1F 34a_100000210259_100000211605 [1,1,0,0,0,0|0,0,1]=3 8549 B15R1.220 CCCCCCOCc1ccccc1F 34a_100000211962_100000210314 [1,1,0,0,0,0|0,0,1]=3 8550 B15R1.220 CCCCCCOCc1ccccc1F 7a_100000210259_100000211605 [1,1,0,0,0,0|0,0,1]=3 8551 B15R1.220 CCCCCCOCc1ccccc1F 7a_100000211962_100000210314 [1,1,0,0,0,0|0,0,1]=3 8552 B15R1.220 CCCCCCOCc1ccccc1I 34a_100000187465_100000210314 [1,1,0,0,0,0|0,0,1]=3 8553 B15R1.220 CCCCCCOCc1ccccc1I 34a_100000210259_100011215278 [1,1,0,0,0,0|0,0,1]=3 8554 B15R1.220 CCCCCCOCc1ccccc1I 7a_100000187465_100000210314 [1,1,0,0,0,0|0,0,1]=3 8555 B15R1.220 CCCCCCOCc1ccccc1I 7a_100000210259_100011215278 [1,1,0,0,0,0|0,0,1]=3 8556 B15R1.220 CCCCCCOCc1ccccc1N 34a_100000212039_100000210314 [1,1,0,0,0,0|0,0,1]=3 8557 B15R1.220 CCCCCCOCc1cccnc1Br 34a_100000210259_100010140945 [1,1,0,0,0,0|1,0,1]=4 8558 B15R1.220 CCCCCCOCc1cccnc1Br 34a_100000719692_100000210314 [1,1,0,0,0,0|1,0,1]=4 8559 B15R1.220 CCCCCCOCc1cccnc1Br 7a_100000210259_100010140945 [1,1,0,0,0,0|1,0,1]=4 8560 B15R1.220 CCCCCCOCc1cccnc1Br 7a_100000719692_100000210314 [1,1,0,0,0,0|1,0,1]=4 8561 B15R1.220 CCCCCCOCc1cccnc1C 34a_100000210259_100000732876 [1,1,0,0,0,0|1,0,1]=4 8562 B15R1.220 CCCCCCOCc1cccnc1C 34a_100000729262_100000210314 [1,1,0,0,0,0|1,0,1]=4 8563 B15R1.220 CCCCCCOCc1cccnc1C 7a_100000210259_100000732876 [1,1,0,0,0,0|1,0,1]=4 8564 B15R1.220 CCCCCCOCc1cccnc1C 7a_100000729262_100000210314 [1,1,0,0,0,0|1,0,1]=4 8565 B15R1.220 CCCCCCOCc1cccnc1Cl 34a_100000210259_100000045678 [1,1,0,0,0,0|1,0,1]=4 8566 B15R1.220 CCCCCCOCc1cccnc1Cl 34a_100000748726_100000210314 [1,1,0,0,0,0|1,0,1]=4 8567 B15R1.220 CCCCCCOCc1cccnc1Cl 7a_100000210259_100000045678 [1,1,0,0,0,0|1,0,1]=4 8568 B15R1.220 CCCCCCOCc1cccnc1Cl 7a_100000748726_100000210314 [1,1,0,0,0,0|1,0,1]=4 8569 B15R1.220 CCCCCCOCc1cccnc1F 34a_100000079888_100000210314 [1,1,0,0,0,0|1,0,1]=4 8570 B15R1.220 CCCCCCOCc1cccnc1F 34a_100000210259_100000099810 [1,1,0,0,0,0|1,0,1]=4 8571 B15R1.220 CCCCCCOCc1cccnc1F 7a_100000079888_100000210314 [1,1,0,0,0,0|1,0,1]=4 8572 B15R1.220 CCCCCCOCc1cccnc1F 7a_100000210259_100000099810 [1,1,0,0,0,0|1,0,1]=4 8573 B15R1.220 CCCCCCOCc1ccncc1C 34a_100000210259_100020672809 [1,1,0,0,0,0|1,0,1]=4 8574 B15R1.220 CCCCCCOCc1ccncc1C 34a_100011997032_100000210314 [1,1,0,0,0,0|1,0,1]=4 8575 B15R1.220 CCCCCCOCc1ccncc1C 7a_100000210259_100020672808 [1,1,0,0,0,0|1,0,1]=4 8576 B15R1.220 CCCCCCOCc1ccncc1Cl 7a_100000210259_100000763264 [1,1,0,0,0,0|1,0,1]=4 8577 B15R1.220 CCCCCCOCc1ccncc1F 34a_100012172863_100000210314 [1,1,0,0,0,0|1,0,1]=4 8578 B15R1.220 CCCCCCOCc1cnccc1C 34a_100000210259_100000690890 [1,1,0,0,0,0|1,0,1]=4 8579 B15R1.220 CCCCCCOCc1cnccc1C 34a_100011996381_100000210314 [1,1,0,0,0,0|1,0,1]=4 8580 B15R1.220 CCCCCCOCc1cnccc1C 7a_100000210259_100000690890 [1,1,0,0,0,0|1,0,1]=4 8581 B15R1.220 CCCCCCOCc1cnccc1Cl 34a_100000117392_100000210314 [1,1,0,0,0,0|1,0,1]=4 8582 B15R1.220 CCCCCCOCc1ncccc1Br 34a_100000210259_100025702911 [1,1,0,0,0,0|1,0,1]=4 8583 B15R1.220 CCCCCCOCc1ncccc1Br 34a_100011996772_100000210314 [1,1,0,0,0,0|1,0,1]=4 8584 B15R1.220 CCCCCCOCc1ncccc1Br 7a_100000210259_100025702911 [1,1,0,0,0,0|1,0,1]=4 8585 B15R1.220 CCCCCCOCc1ncccc1C 34a_100000210259_100000696600 [1,1,0,0,0,0|1,0,1]=4 8586 B15R1.220 CCCCCCOCc1ncccc1C 34a_100000698912_100000210314 [1,1,0,0,0,0|1,0,1]=4 8587 B15R1.220 CCCCCCOCc1ncccc1C 7a_100000210259_100000696600 [1,1,0,0,0,0|1,0,1]=4 8588 B15R1.220 CCCCCCOCc1ncccc1Cl 34a_100012002383_100000210314 [1,1,0,0,0,0|1,0,1]=4 8589 B15R1.220 CCCCCCOCc1ncccc1Cl 7a_100000210259_100000099807 [1,1,0,0,0,0|1,0,1]=4 8590 B15R1.220 CCCCCCOCc1ncccc1F 34a_100000210259_100000104219 [1,1,0,0,0,0|1,0,1]=4 8591 B15R1.220 CCCCCCOCc1ncccc1F 34a_100011934865_100000210314 [1,1,0,0,0,0|1,0,1]=4 8592 B15R1.220 CCCCCCOCc1ncccc1F 7a_100000210259_100000104219 [1,1,0,0,0,0|1,0,1]=4 8593 B15R1.220 CCCCCCOCc1ncccc1N 34a_114873767017_100000210314 [1,1,0,0,0,0|1,0,1]=4 8594 B15R1.220 CCCCCCOCc1ncccc1O 34a_100000210259_200020655725 [1,1,0,0,0,0|1,0,1]=4 8595 B15R1.220 CCCCCCOCc1ncccc1O 7a_100000210259_200020655725 [1,1,0,0,0,0|1,0,1]=4 8596 B15R1.220 CCCCCCSCc1ccccc1Br 62a_100000184730_100000210757 [1,1,0,0,0,0|0,1,1]=4 8597 B15R1.220 CCCCCCSCc1ccccc1Br 62a_100000210314_100000184730 [1,1,0,0,0,0|0,1,1]=4 8598 B15R1.220 CCCCCCSCc1ccccc1C 62a_100000210314_100000211839 [1,1,0,0,0,0|0,1,1]=4 8599 B15R1.220 CCCCCCSCc1ccccc1C 62a_100000211839_100000210757 [1,1,0,0,0,0|0,1,1]=4 8600 B15R1.220 CCCCCCSCc1ccccc1Cl 62a_100000187162_100000210757 [1,1,0,0,0,0|0,1,1]=4 8601 B15R1.220 CCCCCCSCc1ccccc1Cl 62a_100000210314_100000187162 [1,1,0,0,0,0|0,1,1]=4 8602 B15R1.220 CCCCCCSCc1ccccc1F 62a_100000210314_100000211605 [1,1,0,0,0,0|0,1,1]=4 8603 B15R1.220 CCCCCCSCc1ccccc1F 62a_100000211605_100000210757 [1,1,0,0,0,0|0,1,1]=4 8604 B15R1.220 CCCCCCSCc1ccccc1I 62a_100000210314_100011216222 [1,1,0,0,0,0|0,1,1]=4 8605 B15R1.220 CCCCCCSCc1ccccc1I 62a_100011216222_100000210757 [1,1,0,0,0,0|0,1,1]=4 8606 B15R1.220 CCCCCNN=Cc1ccccc1Br 4a_100000694160_100000211189 [1,1,0,0,0,0|2,0,0]=4 8607 B15R1.220 CCCCCNN=Cc1ccccc1C 4a_100000694160_100000211143 [1,1,0,0,0,0|2,0,0]=4 8608 B15R1.220 CCCCCNN=Cc1ccccc1Cl 4a_100000694160_100000210073 [1,1,0,0,0,0|2,0,0]=4 8609 B15R1.220 CCCCCNN=Cc1ccccc1F 4a_100000694160_100000210811 [1,1,0,0,0,0|2,0,0]=4 8610 B15R1.220 CCCCCNN=Cc1ccccc1I 4a_100000694160_100000010305 [1,1,0,0,0,0|2,0,0]=4 8611 B15R1.220 CCCCCNN=Cc1ccccc1O 4a_100000694160_100000185834 [1,1,0,0,0,0|2,0,0]=4 8612 B15R1.220 CCCCNCC=Cc1ccccc1Br 270004a_100000102301_200016268969 [1,1,0,0,0,0|2,0,0]=4 8613 B15R1.220 CCCCNCC=Cc1ccccc1Cl 270004a_100000102301_200102525841 [1,1,0,0,0,0|2,0,0]=4 8614 B15R1.220 CCCCNCC=Cc1ccccc1F 270004a_100000102301_200102525844 [1,1,0,0,0,0|2,0,0]=4 8615 B15R1.220 CCCCOCOCc1ccccc1Br 34a_100000756307_100011995733 [1,1,0,0,0,0|1,0,1]=4 8616 B15R1.220 CCCCOCOCc1ccccc1C 34a_100000698903_100011995733 [1,1,0,0,0,0|1,0,1]=4 8617 B15R1.220 CCCCOCOCc1ccccc1Cl 34a_100000210847_100011995733 [1,1,0,0,0,0|1,0,1]=4 8618 B15R1.220 CCCCOCOCc1ccccc1F 34a_100000211962_100011995733 [1,1,0,0,0,0|1,0,1]=4 8619 B15R1.220 CCCCOCOCc1ccccc1I 34a_100000187465_100011995733 [1,1,0,0,0,0|1,0,1]=4 8620 B15R1.220 CCCCOCOCc1ccccc1N 34a_100000212039_100011995733 [1,1,0,0,0,0|1,0,1]=4 8621 B15R1.220 CCCNCCOCc1ccccc1Cl 2230a_100000745786_100000210303 [1,1,0,0,0,0|1,0,1]=4 8622 B15R1.220 CCCNCCOCc1ccccc1Cl 34a_100000745786_100000210303 [1,1,0,0,0,0|1,0,1]=4 8623 B15R1.220 CCCOCCOCc1ccccc1Br 34a_100000752267_100000184730 [1,1,0,0,0,0|1,0,1]=4 8624 B15R1.220 CCCOCCOCc1ccccc1Br 34a_100000756307_100011215938 [1,1,0,0,0,0|1,0,1]=4 8625 B15R1.220 CCCOCCOCc1ccccc1Br 7a_100000752267_100000184730 [1,1,0,0,0,0|1,0,1]=4 8626 B15R1.220 CCCOCCOCc1ccccc1Br 7a_100000756307_100011215938 [1,1,0,0,0,0|1,0,1]=4 8627 B15R1.220 CCCOCCOCc1ccccc1C 34a_100000698903_100011215938 [1,1,0,0,0,0|1,0,1]=4 8628 B15R1.220 CCCOCCOCc1ccccc1C 34a_100000752267_100000211839 [1,1,0,0,0,0|1,0,1]=4 8629 B15R1.220 CCCOCCOCc1ccccc1C 7a_100000698903_100011215938 [1,1,0,0,0,0|1,0,1]=4 8630 B15R1.220 CCCOCCOCc1ccccc1C 7a_100000752267_100000211839 [1,1,0,0,0,0|1,0,1]=4 8631 B15R1.220 CCCOCCOCc1ccccc1Cl 34a_100000210847_100011215938 [1,1,0,0,0,0|1,0,1]=4 8632 B15R1.220 CCCOCCOCc1ccccc1Cl 34a_100000752267_100000187162 [1,1,0,0,0,0|1,0,1]=4 8633 B15R1.220 CCCOCCOCc1ccccc1Cl 7a_100000210847_100011215938 [1,1,0,0,0,0|1,0,1]=4 8634 B15R1.220 CCCOCCOCc1ccccc1Cl 7a_100000752267_100000187162 [1,1,0,0,0,0|1,0,1]=4 8635 B15R1.220 CCCOCCOCc1ccccc1F 34a_100000211962_100011215938 [1,1,0,0,0,0|1,0,1]=4 8636 B15R1.220 CCCOCCOCc1ccccc1F 34a_100000752267_100000211605 [1,1,0,0,0,0|1,0,1]=4 8637 B15R1.220 CCCOCCOCc1ccccc1F 7a_100000211962_100011215938 [1,1,0,0,0,0|1,0,1]=4 8638 B15R1.220 CCCOCCOCc1ccccc1F 7a_100000752267_100000211605 [1,1,0,0,0,0|1,0,1]=4 8639 B15R1.220 CCCOCCOCc1ccccc1I 34a_100000187465_100011215938 [1,1,0,0,0,0|1,0,1]=4 8640 B15R1.220 CCCOCCOCc1ccccc1I 34a_100000752267_100011215278 [1,1,0,0,0,0|1,0,1]=4 8641 B15R1.220 CCCOCCOCc1ccccc1I 7a_100000187465_100011215938 [1,1,0,0,0,0|1,0,1]=4 8642 B15R1.220 CCCOCCOCc1ccccc1I 7a_100000752267_100011215278 [1,1,0,0,0,0|1,0,1]=4 8643 B15R1.220 CCCOCCOCc1ccccc1N 34a_100000212039_100011215938 [1,1,0,0,0,0|1,0,1]=4 8644 B15R1.220 CCCSCCOCc1ccccc1Br 34a_200000230433_100000184730 [1,1,0,0,0,0|1,0,1]=4 8645 B15R1.220 CCCSCCOCc1ccccc1Br 7a_200000230433_100000184730 [1,1,0,0,0,0|1,0,1]=4 8646 B15R1.220 CCCSCCOCc1ccccc1C 34a_200000230433_100000211839 [1,1,0,0,0,0|1,0,1]=4 8647 B15R1.220 CCCSCCOCc1ccccc1C 7a_200000230433_100000211839 [1,1,0,0,0,0|1,0,1]=4 8648 B15R1.220 CCCSCCOCc1ccccc1Cl 34a_200000230433_100000187162 [1,1,0,0,0,0|1,0,1]=4 8649 B15R1.220 CCCSCCOCc1ccccc1Cl 7a_200000230433_100000187162 [1,1,0,0,0,0|1,0,1]=4 8650 B15R1.220 CCCSCCOCc1ccccc1F 34a_200000230433_100000211605 [1,1,0,0,0,0|1,0,1]=4 8651 B15R1.220 CCCSCCOCc1ccccc1F 7a_200000230433_100000211605 [1,1,0,0,0,0|1,0,1]=4 8652 B15R1.220 CCCSCCOCc1ccccc1I 34a_200000230433_100011215278 [1,1,0,0,0,0|1,0,1]=4 8653 B15R1.220 CCCSCCOCc1ccccc1I 7a_200000230433_100011215278 [1,1,0,0,0,0|1,0,1]=4 8654 B15R1.220 CCOCCCOCc1ccccc1Br 34a_100000756307_100012232248 [1,1,0,0,0,0|1,0,1]=4 8655 B15R1.220 CCOCCCOCc1ccccc1Br 34a_100000757476_100000184730 [1,1,0,0,0,0|1,0,1]=4 8656 B15R1.220 CCOCCCOCc1ccccc1Br 7a_100000756307_100012232248 [1,1,0,0,0,0|1,0,1]=4 8657 B15R1.220 CCOCCCOCc1ccccc1Br 7a_100000757476_100000184730 [1,1,0,0,0,0|1,0,1]=4 8658 B15R1.220 CCOCCCOCc1ccccc1C 34a_100000698903_100012232248 [1,1,0,0,0,0|1,0,1]=4 8659 B15R1.220 CCOCCCOCc1ccccc1C 34a_100000757476_100000211839 [1,1,0,0,0,0|1,0,1]=4 8660 B15R1.220 CCOCCCOCc1ccccc1C 7a_100000698903_100012232248 [1,1,0,0,0,0|1,0,1]=4 8661 B15R1.220 CCOCCCOCc1ccccc1C 7a_100000757476_100000211839 [1,1,0,0,0,0|1,0,1]=4 8662 B15R1.220 CCOCCCOCc1ccccc1Cl 34a_100000210847_100012232248 [1,1,0,0,0,0|1,0,1]=4 8663 B15R1.220 CCOCCCOCc1ccccc1Cl 34a_100000757476_100000187162 [1,1,0,0,0,0|1,0,1]=4 8664 B15R1.220 CCOCCCOCc1ccccc1Cl 7a_100000210847_100012232248 [1,1,0,0,0,0|1,0,1]=4 8665 B15R1.220 CCOCCCOCc1ccccc1Cl 7a_100000757476_100000187162 [1,1,0,0,0,0|1,0,1]=4 8666 B15R1.220 CCOCCCOCc1ccccc1F 34a_100000211962_100012232248 [1,1,0,0,0,0|1,0,1]=4 8667 B15R1.220 CCOCCCOCc1ccccc1F 34a_100000757476_100000211605 [1,1,0,0,0,0|1,0,1]=4 8668 B15R1.220 CCOCCCOCc1ccccc1F 7a_100000211962_100012232248 [1,1,0,0,0,0|1,0,1]=4 8669 B15R1.220 CCOCCCOCc1ccccc1F 7a_100000757476_100000211605 [1,1,0,0,0,0|1,0,1]=4 8670 B15R1.220 CCOCCCOCc1ccccc1I 34a_100000187465_100012232248 [1,1,0,0,0,0|1,0,1]=4 8671 B15R1.220 CCOCCCOCc1ccccc1I 34a_100000757476_100011215278 [1,1,0,0,0,0|1,0,1]=4 8672 B15R1.220 CCOCCCOCc1ccccc1I 7a_100000187465_100012232248 [1,1,0,0,0,0|1,0,1]=4 8673 B15R1.220 CCOCCCOCc1ccccc1I 7a_100000757476_100011215278 [1,1,0,0,0,0|1,0,1]=4 8674 B15R1.220 CCOCCCOCc1ccccc1N 34a_100000212039_100012232248 [1,1,0,0,0,0|1,0,1]=4 8675 B15R1.220 CCSCCCOCc1ccccc1Br 34a_100011216438_100000184730 [1,1,0,0,0,0|1,0,1]=4 8676 B15R1.220 CCSCCCOCc1ccccc1Br 7a_100011216438_100000184730 [1,1,0,0,0,0|1,0,1]=4 8677 B15R1.220 CCSCCCOCc1ccccc1C 34a_100011216438_100000211839 [1,1,0,0,0,0|1,0,1]=4 8678 B15R1.220 CCSCCCOCc1ccccc1C 7a_100011216438_100000211839 [1,1,0,0,0,0|1,0,1]=4 8679 B15R1.220 CCSCCCOCc1ccccc1Cl 34a_100011216438_100000187162 [1,1,0,0,0,0|1,0,1]=4 8680 B15R1.220 CCSCCCOCc1ccccc1Cl 7a_100011216438_100000187162 [1,1,0,0,0,0|1,0,1]=4 8681 B15R1.220 CCSCCCOCc1ccccc1F 34a_100011216438_100000211605 [1,1,0,0,0,0|1,0,1]=4 8682 B15R1.220 CCSCCCOCc1ccccc1F 7a_100011216438_100000211605 [1,1,0,0,0,0|1,0,1]=4 8683 B15R1.220 CCSCCCOCc1ccccc1I 34a_100011216438_100011215278 [1,1,0,0,0,0|1,0,1]=4 8684 B15R1.220 CCSCCCOCc1ccccc1I 7a_100011216438_100011215278 [1,1,0,0,0,0|1,0,1]=4 8685 B15R1.220 COCCCCOCc1ccccc1Br 34a_100000740925_100000184730 [1,1,0,0,0,0|1,0,1]=4 8686 B15R1.220 COCCCCOCc1ccccc1Br 34a_100000756307_100000755781 [1,1,0,0,0,0|1,0,1]=4 8687 B15R1.220 COCCCCOCc1ccccc1Br 7a_100000756307_100000730899 [1,1,0,0,0,0|1,0,1]=4 8688 B15R1.220 COCCCCOCc1ccccc1C 34a_100000698903_100000755781 [1,1,0,0,0,0|1,0,1]=4 8689 B15R1.220 COCCCCOCc1ccccc1C 34a_100000740925_100000211839 [1,1,0,0,0,0|1,0,1]=4 8690 B15R1.220 COCCCCOCc1ccccc1C 7a_100000698903_100000730899 [1,1,0,0,0,0|1,0,1]=4 8691 B15R1.220 COCCCCOCc1ccccc1Cl 34a_100000210847_100000755781 [1,1,0,0,0,0|1,0,1]=4 8692 B15R1.220 COCCCCOCc1ccccc1Cl 34a_100000740925_100000187162 [1,1,0,0,0,0|1,0,1]=4 8693 B15R1.220 COCCCCOCc1ccccc1Cl 7a_100000210847_100000730899 [1,1,0,0,0,0|1,0,1]=4 8694 B15R1.220 COCCCCOCc1ccccc1F 34a_100000211962_100000755781 [1,1,0,0,0,0|1,0,1]=4 8695 B15R1.220 COCCCCOCc1ccccc1F 34a_100000740925_100000211605 [1,1,0,0,0,0|1,0,1]=4 8696 B15R1.220 COCCCCOCc1ccccc1F 7a_100000211962_100000730899 [1,1,0,0,0,0|1,0,1]=4 8697 B15R1.220 COCCCCOCc1ccccc1I 34a_100000187465_100000755781 [1,1,0,0,0,0|1,0,1]=4 8698 B15R1.220 COCCCCOCc1ccccc1I 34a_100000740925_100011215278 [1,1,0,0,0,0|1,0,1]=4 8699 B15R1.220 COCCCCOCc1ccccc1I 7a_100000187465_100000730899 [1,1,0,0,0,0|1,0,1]=4 8700 B15R1.220 COCCCCOCc1ccccc1N 34a_100000212039_100000755781 [1,1,0,0,0,0|1,0,1]=4 8701 B15R1.220 CSCCCCOCc1ccccc1Br 34a_100011217163_100000184730 [1,1,0,0,0,0|1,0,1]=4 8702 B15R1.220 CSCCCCOCc1ccccc1Br 7a_100011217163_100000184730 [1,1,0,0,0,0|1,0,1]=4 8703 B15R1.220 CSCCCCOCc1ccccc1C 34a_100011217163_100000211839 [1,1,0,0,0,0|1,0,1]=4 8704 B15R1.220 CSCCCCOCc1ccccc1C 7a_100011217163_100000211839 [1,1,0,0,0,0|1,0,1]=4 8705 B15R1.220 CSCCCCOCc1ccccc1Cl 34a_100011217163_100000187162 [1,1,0,0,0,0|1,0,1]=4 8706 B15R1.220 CSCCCCOCc1ccccc1Cl 7a_100011217163_100000187162 [1,1,0,0,0,0|1,0,1]=4 8707 B15R1.220 CSCCCCOCc1ccccc1F 34a_100011217163_100000211605 [1,1,0,0,0,0|1,0,1]=4 8708 B15R1.220 CSCCCCOCc1ccccc1F 7a_100011217163_100000211605 [1,1,0,0,0,0|1,0,1]=4 8709 B15R1.220 CSCCCCOCc1ccccc1I 34a_100011217163_100011215278 [1,1,0,0,0,0|1,0,1]=4 8710 B15R1.220 CSCCCCOCc1ccccc1I 7a_100011217163_100011215278 [1,1,0,0,0,0|1,0,1]=4 8711 B15R1.220 Cc1ccccc1COCCCCCBr 34a_100000746331_100000211839 [1,1,0,0,0,0|1,0,1]=4 8712 B15R1.220 Cc1ccccc1COCCCCCBr 7a_100000746331_100000211839 [1,1,0,0,0,0|1,0,1]=4 8713 B15R1.220 Cc1ccccc1COCCCCCCl 34a_100000746330_100000211839 [1,1,0,0,0,0|1,0,1]=4 8714 B15R1.220 Cc1ccccc1COCCCCCCl 7a_100000746330_100000211839 [1,1,0,0,0,0|1,0,1]=4 8715 B15R1.220 Cc1ccccc1COCCCCCF 34a_100000698903_100000729378 [1,1,0,0,0,0|1,0,1]=4 8716 B15R1.220 Cc1ccccc1COCCCCCF 7a_100000698903_100000729378 [1,1,0,0,0,0|1,0,1]=4 8717 B15R1.220 Cc1ccccc1COCCCCCI 34a_200012148887_100000211839 [1,1,0,0,0,0|1,0,1]=4 8718 B15R1.220 Cc1ccccc1COCCCCCI 7a_200012148887_100000211839 [1,1,0,0,0,0|1,0,1]=4 8719 B15R1.220 Cc1ccccc1COCCCCCN 34a_100000762737_100000211839 [1,1,0,0,0,0|1,0,1]=4 8720 B15R1.220 Cc1ccccc1COCCCCCO 34a_100000698903_100000746330 [1,1,0,0,0,0|1,0,1]=4 8721 B15R1.220 Cc1ccccc1COCCCCCO 7a_100000698903_100000746330 [1,1,0,0,0,0|1,0,1]=4 8722 B15R1.220 ClCCCCCOCc1ccccc1Br 34a_100000746330_100000184730 [1,1,0,0,0,0|1,0,1]=4 8723 B15R1.220 ClCCCCCOCc1ccccc1Br 7a_100000746330_100000184730 [1,1,0,0,0,0|1,0,1]=4 8724 B15R1.220 ClCCCCCOCc1ccccc1Cl 34a_100000746330_100000187162 [1,1,0,0,0,0|1,0,1]=4 8725 B15R1.220 ClCCCCCOCc1ccccc1Cl 7a_100000746330_100000187162 [1,1,0,0,0,0|1,0,1]=4 8726 B15R1.220 ClCCCCCOCc1ccccc1I 34a_100000746330_100011215278 [1,1,0,0,0,0|1,0,1]=4 8727 B15R1.220 ClCCCCCOCc1ccccc1I 7a_100000746330_100011215278 [1,1,0,0,0,0|1,0,1]=4 8728 B15R1.220 Clc1ccccc1COCCCCCBr 34a_100000746331_100000187162 [1,1,0,0,0,0|1,0,1]=4 8729 B15R1.220 Clc1ccccc1COCCCCCBr 7a_100000746331_100000187162 [1,1,0,0,0,0|1,0,1]=4 8730 B15R1.220 Clc1ccccc1COCCCCCI 34a_200012148887_100000187162 [1,1,0,0,0,0|1,0,1]=4 8731 B15R1.220 Clc1ccccc1COCCCCCI 7a_200012148887_100000187162 [1,1,0,0,0,0|1,0,1]=4 8732 B15R1.220 FCCCCCOCc1ccccc1Br 34a_100000756307_100000729378 [1,1,0,0,0,0|1,0,1]=4 8733 B15R1.220 FCCCCCOCc1ccccc1Br 7a_100000756307_100000729378 [1,1,0,0,0,0|1,0,1]=4 8734 B15R1.220 FCCCCCOCc1ccccc1Cl 34a_100000210847_100000729378 [1,1,0,0,0,0|1,0,1]=4 8735 B15R1.220 FCCCCCOCc1ccccc1Cl 7a_100000210847_100000729378 [1,1,0,0,0,0|1,0,1]=4 8736 B15R1.220 FCCCCCOCc1ccccc1F 34a_100000211962_100000729378 [1,1,0,0,0,0|1,0,1]=4 8737 B15R1.220 FCCCCCOCc1ccccc1F 7a_100000211962_100000729378 [1,1,0,0,0,0|1,0,1]=4 8738 B15R1.220 FCCCCCOCc1ccccc1I 34a_100000187465_100000729378 [1,1,0,0,0,0|1,0,1]=4 8739 B15R1.220 FCCCCCOCc1ccccc1I 7a_100000187465_100000729378 [1,1,0,0,0,0|1,0,1]=4 8740 B15R1.220 Fc1ccccc1COCCCCCBr 34a_100000746331_100000211605 [1,1,0,0,0,0|1,0,1]=4 8741 B15R1.220 Fc1ccccc1COCCCCCBr 7a_100000746331_100000211605 [1,1,0,0,0,0|1,0,1]=4 8742 B15R1.220 Fc1ccccc1COCCCCCCl 34a_100000746330_100000211605 [1,1,0,0,0,0|1,0,1]=4 8743 B15R1.220 Fc1ccccc1COCCCCCCl 7a_100000746330_100000211605 [1,1,0,0,0,0|1,0,1]=4 8744 B15R1.220 Fc1ccccc1COCCCCCI 34a_200012148887_100000211605 [1,1,0,0,0,0|1,0,1]=4 8745 B15R1.220 Fc1ccccc1COCCCCCI 7a_200012148887_100000211605 [1,1,0,0,0,0|1,0,1]=4 8746 B15R1.220 ICCCCCOCc1ccccc1I 34a_200012148887_100011215278 [1,1,0,0,0,0|1,0,1]=4 8747 B15R1.220 ICCCCCOCc1ccccc1I 7a_200012148887_100011215278 [1,1,0,0,0,0|1,0,1]=4 8748 B15R1.220 NCCCCCOCc1ccccc1Br 34a_100000762737_100000184730 [1,1,0,0,0,0|1,0,1]=4 8749 B15R1.220 NCCCCCOCc1ccccc1Cl 34a_100000762737_100000187162 [1,1,0,0,0,0|1,0,1]=4 8750 B15R1.220 NCCCCCOCc1ccccc1F 34a_100000762737_100000211605 [1,1,0,0,0,0|1,0,1]=4 8751 B15R1.220 NCCCCCOCc1ccccc1I 34a_100000762737_100011215278 [1,1,0,0,0,0|1,0,1]=4 8752 B15R1.220 Nc1ccccc1COCCCCCF 34a_100000212039_100000729378 [1,1,0,0,0,0|1,0,1]=4 8753 B15R1.220 Nc1ccccc1COCCCCCO 34a_100000212039_100000746330 [1,1,0,0,0,0|1,0,1]=4 8754 B15R1.220 OCCCCCOCc1ccccc1Br 34a_100000756307_100000746330 [1,1,0,0,0,0|1,0,1]=4 8755 B15R1.220 OCCCCCOCc1ccccc1Br 7a_100000756307_100000746330 [1,1,0,0,0,0|1,0,1]=4 8756 B15R1.220 OCCCCCOCc1ccccc1Cl 34a_100000210847_100000746330 [1,1,0,0,0,0|1,0,1]=4 8757 B15R1.220 OCCCCCOCc1ccccc1Cl 7a_100000210847_100000746330 [1,1,0,0,0,0|1,0,1]=4 8758 B15R1.220 OCCCCCOCc1ccccc1F 34a_100000211962_100000746330 [1,1,0,0,0,0|1,0,1]=4 8759 B15R1.220 OCCCCCOCc1ccccc1F 7a_100000211962_100000746330 [1,1,0,0,0,0|1,0,1]=4 8760 B15R1.220 OCCCCCOCc1ccccc1I 34a_100000187465_100000746330 [1,1,0,0,0,0|1,0,1]=4 8761 B15R1.220 OCCCCCOCc1ccccc1I 7a_100000187465_100000746330 [1,1,0,0,0,0|1,0,1]=4 8762 B15R1.504 CC(=O)CCCCOCc1ccccc1 1458a_100000070787_100011219843 [1,1,0,0,0,0|0,0,2]=4 8763 B15R1.504 CC(=O)CCCCOCc1ccccc1 34a_100000210790_100009817362 [1,1,0,0,0,0|0,0,2]=4 8764 B15R1.504 CC(=O)CCCCOCc1ccccc1 7a_100000210790_100000735457 [1,1,0,0,0,0|0,0,2]=4 8765 B15R1.504 CC(Br)CCOC/C=C/c1ccccc1 34a_100009893172_100016265936 [1,1,0,0,0,0|2,0,0]=4 8766 B15R1.504 CC(Br)CCOCOCc1ccccc1 34a_100009893172_100000763385 [1,1,0,0,0,0|1,0,1]=4 8767 B15R1.504 CC(Br)COCCOCc1ccccc1 34a_100012180447_100000234347 [1,1,0,0,0,0|1,0,1]=4 8768 B15R1.504 CC(C)CCCCCNc1ccccc1 34a_100000106764_100000210682 [1,1,0,0,0,0|2,0,0]=4 8769 B15R1.504 CC(C)CCCCCOc1ccccc1 34a_100000210340_100000210682 [1,1,0,0,0,0|2,0,0]=4 8770 B15R1.504 CC(C)CCCCCOc1ccccc1 7a_100000210340_100000210682 [1,1,0,0,0,0|2,0,0]=4 8771 B15R1.504 CC(C)CCCCCSc1ccccc1 62a_100000210682_100000041952 [1,1,0,0,0,0|2,0,0]=4 8772 B15R1.504 CC(C)CCCCCSc1ccccc1 62a_100000719477_100000210682 [1,1,0,0,0,0|2,0,0]=4 8773 B15R1.504 CC(C)CCCCNCc1ccccc1 2230a_100015324214_100011216152 [1,1,0,0,0,0|1,0,1]=4 8774 B15R1.504 CC(C)CCCCNCc1ccccc1 34a_100015324214_100011216152 [1,1,0,0,0,0|1,0,1]=4 8775 B15R1.504 CC(C)CCCCOCc1ccccc1 34a_100000210790_100011216152 [1,1,0,0,0,0|0,0,1]=3 8776 B15R1.504 CC(C)CCCCOCc1ccccc1 34a_100011214890_100015291786 [1,1,0,0,0,0|0,0,1]=3 8777 B15R1.504 CC(C)CCCCOCc1ccccc1 7a_100000210790_100011216152 [1,1,0,0,0,0|0,0,1]=3 8778 B15R1.504 CC(C)CCCCOCc1ccccc1 7a_100011214890_100000211182 [1,1,0,0,0,0|0,0,1]=3 8779 B15R1.504 CC(C)CCCCOCc1ccccn1 34a_100011214890_100000721315 [1,1,0,0,0,0|1,0,1]=4 8780 B15R1.504 CC(C)CCCCOCc1ccccn1 7a_100011214890_100000721315 [1,1,0,0,0,0|1,0,1]=4 8781 B15R1.504 CC(C)CCCCOCc1cccnc1 34a_100011214890_100000733263 [1,1,0,0,0,0|1,0,1]=4 8782 B15R1.504 CC(C)CCCCOCc1cccnc1 7a_100011214890_100000741622 [1,1,0,0,0,0|1,0,1]=4 8783 B15R1.504 CC(C)CCCCOCc1ccncc1 7a_100011214890_100015193705 [1,1,0,0,0,0|1,0,1]=4 8784 B15R1.504 CC(C)CCCCSCc1ccccc1 62a_100000211182_100011216152 [1,1,0,0,0,0|0,1,1]=4 8785 B15R1.504 CC(C)CCCCSCc1ccccc1 62a_100011216152_100015291786 [1,1,0,0,0,0|0,1,1]=4 8786 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 2230a_100020603302_100000210312 [1,1,0,0,0,0|2,0,0]=4 8787 B15R1.504 CC(C)CCNC/C=C/c1ccccc1 34a_100020603302_100000210312 [1,1,0,0,0,0|2,0,0]=4 8788 B15R1.504 CC(C)CCNCC=Cc1ccccc1 270004a_100000210545_100000210105 [1,1,0,0,0,0|2,0,0]=4 8789 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210254_100016265936 [1,1,0,0,0,0|2,0,0]=4 8790 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 34a_100000210256_100000210312 [1,1,0,0,0,0|2,0,0]=4 8791 B15R1.504 CC(C)CCOC/C=C/c1ccccc1 7a_100000210254_100016265936 [1,1,0,0,0,0|2,0,0]=4 8792 B15R1.504 CC(C)CCOCOCc1ccccc1 34a_100000210254_100000763385 [1,1,0,0,0,0|1,0,1]=4 8793 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100000210312_100016265936 [1,1,0,0,0,0|2,0,0]=4 8794 B15R1.504 CC(C)CCSC/C=C/c1ccccc1 62a_100016265936_100000210312 [1,1,0,0,0,0|2,0,0]=4 8795 B15R1.504 CC(C)CCSCOCc1ccccc1 62a_100000210312_100000763385 [1,1,0,0,0,0|1,0,1]=4 8796 B15R1.504 CC(C)CCSCOCc1ccccc1 62a_100000763385_100000210312 [1,1,0,0,0,0|1,0,1]=4 8797 B15R1.504 CC(C)CNCCOCc1ccccc1 2230a_100000210953_100000234347 [1,1,0,0,0,0|1,0,1]=4 8798 B15R1.504 CC(C)CNCCOCc1ccccc1 2230a_100000753106_100000210760 [1,1,0,0,0,0|1,0,1]=4 8799 B15R1.504 CC(C)CNCCOCc1ccccc1 270004a_100000753106_100000210432 [1,1,0,0,0,0|1,0,1]=4 8800 B15R1.504 CC(C)CNCCOCc1ccccc1 34a_100000210953_100000234347 [1,1,0,0,0,0|1,0,1]=4 8801 B15R1.504 CC(C)CNCCOCc1ccccc1 34a_100000753106_100000210624 [1,1,0,0,0,0|1,0,1]=4 8802 B15R1.504 CC(C)CNCCOCc1ccccc1 34a_100015185251_100015291786 [1,1,0,0,0,0|1,0,1]=4 8803 B15R1.504 CC(C)COCCOCc1ccccc1 34a_100000210257_100000234347 [1,1,0,0,0,0|1,0,1]=4 8804 B15R1.504 CC(C)COCCOCc1ccccc1 34a_100000703358_100015291786 [1,1,0,0,0,0|1,0,1]=4 8805 B15R1.504 CC(C)COCCOCc1ccccc1 34a_100000759325_100000210624 [1,1,0,0,0,0|1,0,1]=4 8806 B15R1.504 CC(C)COCCOCc1ccccc1 7a_100000703358_100000211182 [1,1,0,0,0,0|1,0,1]=4 8807 B15R1.504 CC(C)COCCOCc1ccccc1 7a_100000759325_100000210760 [1,1,0,0,0,0|1,0,1]=4 8808 B15R1.504 CC(C)CSCCOCc1ccccc1 34a_200000230437_100015291786 [1,1,0,0,0,0|1,0,1]=4 8809 B15R1.504 CC(C)CSCCOCc1ccccc1 62a_100000210624_100000234347 [1,1,0,0,0,0|1,0,1]=4 8810 B15R1.504 CC(C)CSCCOCc1ccccc1 62a_100000234347_100000210760 [1,1,0,0,0,0|1,0,1]=4 8811 B15R1.504 CC(C)CSCCOCc1ccccc1 7a_200000230437_100000211182 [1,1,0,0,0,0|1,0,1]=4 8812 B15R1.504 CC(C)NCCCOCc1ccccc1 2230a_100138425928_100011215529 [1,1,0,0,0,0|1,0,1]=4 8813 B15R1.504 CC(C)NCCCOCc1ccccc1 2230a_200000206031_100000210206 [1,1,0,0,0,0|1,0,1]=4 8814 B15R1.504 CC(C)NCCCOCc1ccccc1 34a_100000182298_100015291786 [1,1,0,0,0,0|1,0,1]=4 8815 B15R1.504 CC(C)NCCCOCc1ccccc1 34a_100138425928_100011215529 [1,1,0,0,0,0|1,0,1]=4 8816 B15R1.504 CC(C)NCCCOCc1ccccc1 34a_200000206031_100000210206 [1,1,0,0,0,0|1,0,1]=4 8817 B15R1.504 CC(C)OCCCOCc1ccccc1 34a_100000212225_100011215529 [1,1,0,0,0,0|1,0,1]=4 8818 B15R1.504 CC(C)OCCCOCc1ccccc1 34a_100000691849_100000210206 [1,1,0,0,0,0|1,0,1]=4 8819 B15R1.504 CC(C)OCCCOCc1ccccc1 7a_100000691849_100000210206 [1,1,0,0,0,0|1,0,1]=4 8820 B15R1.504 CC(C)SCCCOCc1ccccc1 62a_100000210206_100011215529 [1,1,0,0,0,0|1,0,1]=4 8821 B15R1.504 CC(C)SCCCOCc1ccccc1 62a_100011215529_100000210206 [1,1,0,0,0,0|1,0,1]=4 8822 B15R1.504 CC(F)COCCOCc1ccccc1 34a_100015925927_100000234347 [1,1,0,0,0,0|1,0,1]=4 8823 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 2230a_100020603302_100012276601 [1,1,0,0,0,0|2,0,0]=4 8824 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 2230a_200000755665_100016265936 [1,1,0,0,0,0|2,0,0]=4 8825 B15R1.504 CC(O)CCNC/C=C/c1ccccc1 34a_100020603302_100012276601 [1,1,0,0,0,0|2,0,0]=4 8826 B15R1.504 CC(O)CCNCC=Cc1ccccc1 270004a_200000755665_100000210105 [1,1,0,0,0,0|2,0,0]=4 8827 B15R1.504 CC(O)CCNCOCc1ccccc1 2230a_200000755665_100000763385 [1,1,0,0,0,0|1,0,1]=4 8828 B15R1.504 CC(O)CCOC/C=C/c1ccccc1 34a_100000210256_100012276601 [1,1,0,0,0,0|2,0,0]=4 8829 B15R1.504 CC(O)CCSC/C=C/c1ccccc1 62a_100012276601_100016265936 [1,1,0,0,0,0|2,0,0]=4 8830 B15R1.504 CC(O)CCSC/C=C/c1ccccc1 62a_100016265936_100012276601 [1,1,0,0,0,0|2,0,0]=4 8831 B15R1.504 CC(O)CCSCOCc1ccccc1 62a_100000763385_100012276601 [1,1,0,0,0,0|1,0,1]=4 8832 B15R1.504 CC(O)CCSCOCc1ccccc1 62a_100012276601_100000763385 [1,1,0,0,0,0|1,0,1]=4 8833 B15R1.504 CC(O)CNCCOCc1ccccc1 2230a_100000210904_100000234347 [1,1,0,0,0,0|1,0,1]=4 8834 B15R1.504 CC(O)CNCCOCc1ccccc1 2230a_100000753106_100011218427 [1,1,0,0,0,0|1,0,1]=4 8835 B15R1.504 CC(O)CNCCOCc1ccccc1 34a_100000210904_100000234347 [1,1,0,0,0,0|1,0,1]=4 8836 B15R1.504 CC(O)CNCCOCc1ccccc1 34a_100000753106_100011218427 [1,1,0,0,0,0|1,0,1]=4 8837 B15R1.504 CC(O)COCCOCc1ccccc1 34a_100000759325_100011218427 [1,1,0,0,0,0|1,0,1]=4 8838 B15R1.504 CC(O)COCCOCc1ccccc1 7a_100000759325_100011218427 [1,1,0,0,0,0|1,0,1]=4 8839 B15R1.504 CC(O)CSCCOCc1ccccc1 62a_100000234347_100011218427 [1,1,0,0,0,0|1,0,1]=4 8840 B15R1.504 CC(O)CSCCOCc1ccccc1 62a_100011218427_100000234347 [1,1,0,0,0,0|1,0,1]=4 8841 B15R1.504 CN(C)CCCCOCc1ccccc1 2230a_100102631434_100011219843 [1,1,0,0,0,0|1,0,1]=4 8842 B15R1.504 CN(C)CCCCOCc1ccccc1 269982a_100102631434_100011219843 [1,1,0,0,0,0|1,0,1]=4 8843 B15R1.504 C[C@@H](Cl)COCCOCc1ccccc1 34a_100016084084_100000234347 [1,1,0,0,0,0|1,0,1]=4 8844 B15R1.504 C[C@@H](N)CCOC/C=C/c1ccccc1 34a_100000706166_100016265936 [1,1,0,0,0,0|2,0,0]=4 8845 B15R1.504 C[C@@H](N)CCOCOCc1ccccc1 34a_100000706166_100000763385 [1,1,0,0,0,0|1,0,1]=4 8846 B15R1.504 C[C@@H](N)COCCOCc1ccccc1 34a_100000737577_100000234347 [1,1,0,0,0,0|1,0,1]=4 8847 B15R1.504 C[C@@H](O)CNCCOCc1ccccc1 2230a_100000753106_100009817552 [1,1,0,0,0,0|1,0,1]=4 8848 B15R1.504 C[C@@H](O)CNCCOCc1ccccc1 34a_100000753106_100009817552 [1,1,0,0,0,0|1,0,1]=4 8849 B15R1.504 C[C@@H](O)COCCOCc1ccccc1 34a_100000759325_100009817552 [1,1,0,0,0,0|1,0,1]=4 8850 B15R1.504 C[C@@H](O)COCCOCc1ccccc1 7a_100000759325_100009817552 [1,1,0,0,0,0|1,0,1]=4 8851 B15R1.504 C[C@@H](O)CSCCOCc1ccccc1 62a_100000234347_100009817552 [1,1,0,0,0,0|1,0,1]=4 8852 B15R1.504 C[C@@H](O)CSCCOCc1ccccc1 62a_100009817552_100000234347 [1,1,0,0,0,0|1,0,1]=4 8853 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000211992_100000234347 [1,1,0,0,0,0|0,0,2]=4 8854 B15R1.778 CCCC(=O)CCOCc1ccccc1 1458a_100000743319_100000210303 [1,1,0,0,0,0|0,0,2]=4 8855 B15R1.778 CCCC(C)CCOCc1ccccc1 34a_100011217855_100015291786 [1,1,0,0,0,0|0,0,1]=3 8856 B15R1.778 CCCC(C)CCOCc1ccccc1 7a_100011217855_100000211182 [1,1,0,0,0,0|0,0,1]=3 8857 B15R1.778 CCCC(C)CCOCc1ccccn1 34a_100011217855_100000721315 [1,1,0,0,0,0|1,0,1]=4 8858 B15R1.778 CCCC(C)CCOCc1ccccn1 7a_100011217855_100000721315 [1,1,0,0,0,0|1,0,1]=4 8859 B15R1.778 CCCC(C)CCOCc1cccnc1 34a_100011217855_100000733263 [1,1,0,0,0,0|1,0,1]=4 8860 B15R1.778 CCCC(C)CCOCc1cccnc1 7a_100011217855_100000741622 [1,1,0,0,0,0|1,0,1]=4 8861 B15R1.778 CCCC(C)CCOCc1ccncc1 7a_100011217855_100015193705 [1,1,0,0,0,0|1,0,1]=4 8862 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 2230a_100000741246_100016265936 [1,1,0,0,0,0|2,0,0]=4 8863 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 2230a_100020603302_100000766640 [1,1,0,0,0,0|2,0,0]=4 8864 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100000211909 [1,1,0,0,0,0|2,0,0]=4 8865 B15R1.778 CCCC(C)NC/C=C/c1ccccc1 34a_100020603302_100000766640 [1,1,0,0,0,0|2,0,0]=4 8866 B15R1.778 CCCC(C)NCC=Cc1ccccc1 270004a_100000741246_100000210105 [1,1,0,0,0,0|2,0,0]=4 8867 B15R1.778 CCCC(C)NCOCc1ccccc1 2230a_100000741246_100000763385 [1,1,0,0,0,0|1,0,1]=4 8868 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 34a_100000210256_100000766640 [1,1,0,0,0,0|2,0,0]=4 8869 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 34a_100000764384_100016265936 [1,1,0,0,0,0|2,0,0]=4 8870 B15R1.778 CCCC(C)OC/C=C/c1ccccc1 7a_100000764384_100016265936 [1,1,0,0,0,0|2,0,0]=4 8871 B15R1.778 CCCC(C)OCOCc1ccccc1 34a_100000764384_100000763385 [1,1,0,0,0,0|1,0,1]=4 8872 B15R1.778 CCCC(C)SC/C=C/c1ccccc1 62a_100000766640_100016265936 [1,1,0,0,0,0|2,0,0]=4 8873 B15R1.778 CCCC(C)SC/C=C/c1ccccc1 62a_100016265936_100000766640 [1,1,0,0,0,0|2,0,0]=4 8874 B15R1.778 CCCC(C)SCOCc1ccccc1 62a_100000763385_100000766640 [1,1,0,0,0,0|1,0,1]=4 8875 B15R1.778 CCCC(C)SCOCc1ccccc1 62a_100000766640_100000763385 [1,1,0,0,0,0|1,0,1]=4 8876 B15R1.778 CCCN(C)CCOCc1ccccc1 2230a_100000687121_100000210303 [1,1,0,0,0,0|1,0,1]=4 8877 B15R1.778 CCCN(C)CCOCc1ccccc1 2230a_100000747261_100000234347 [1,1,0,0,0,0|1,0,1]=4 8878 B15R1.778 CCCN(C)CCOCc1ccccc1 269982a_100000687121_100000210303 [1,1,0,0,0,0|1,0,1]=4 8879 B15R1.778 CCCN(C)CCOCc1ccccc1 269982a_100000747261_100000234347 [1,1,0,0,0,0|1,0,1]=4 8880 B15R1.778 CCC[C@H](N)CCOCc1ccccc1 34a_100015193777_100015291786 [1,1,0,0,0,0|0,0,1]=3 8881 B15R1.778 CCC[C@H](N)CCOCc1ccccn1 34a_100015193777_100000721315 [1,1,0,0,0,0|1,0,1]=4 8882 B15R1.778 CCC[C@H](N)CCOCc1cccnc1 34a_100015193777_100000733263 [1,1,0,0,0,0|1,0,1]=4 8883 B15R1.778 CCNC(C)CCOCc1ccccc1 270004a_100015525214_100011219826 [1,1,0,0,0,0|1,0,1]=4 8884 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000210414_100011215529 [1,1,0,0,0,0|0,0,2]=4 8885 B15R1.962 CCC(=O)CCCOCc1ccccc1 1458a_100000748059_100000210202 [1,1,0,0,0,0|0,0,2]=4 8886 B15R1.962 CCC(C)CCCOCc1ccccc1 7a_100011216074_100000211182 [1,1,0,0,0,0|0,0,1]=3 8887 B15R1.962 CCC(C)CCCOCc1ccccn1 7a_100011216074_100000721315 [1,1,0,0,0,0|1,0,1]=4 8888 B15R1.962 CCC(C)CCCOCc1cccnc1 7a_100011216074_100000741622 [1,1,0,0,0,0|1,0,1]=4 8889 B15R1.962 CCC(C)CCCOCc1ccncc1 7a_100011216074_100015193705 [1,1,0,0,0,0|1,0,1]=4 8890 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020588543_100016265936 [1,1,0,0,0,0|2,0,0]=4 8891 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 2230a_100020603302_100000748023 [1,1,0,0,0,0|2,0,0]=4 8892 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 270004a_100020603302_100000243153 [1,1,0,0,0,0|2,0,0]=4 8893 B15R1.962 CCC(C)CNC/C=C/c1ccccc1 34a_100020603302_100000748023 [1,1,0,0,0,0|2,0,0]=4 8894 B15R1.962 CCC(C)CNCC=Cc1ccccc1 270004a_100020588543_100000210105 [1,1,0,0,0,0|2,0,0]=4 8895 B15R1.962 CCC(C)CNCOCc1ccccc1 2230a_100020588543_100000763385 [1,1,0,0,0,0|1,0,1]=4 8896 B15R1.962 CCC(C)COC/C=C/c1ccccc1 34a_100000210256_100000748023 [1,1,0,0,0,0|2,0,0]=4 8897 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100000748023_100016265936 [1,1,0,0,0,0|2,0,0]=4 8898 B15R1.962 CCC(C)CSC/C=C/c1ccccc1 62a_100016265936_100000748023 [1,1,0,0,0,0|2,0,0]=4 8899 B15R1.962 CCC(C)CSCOCc1ccccc1 62a_100000748023_100000763385 [1,1,0,0,0,0|1,0,1]=4 8900 B15R1.962 CCC(C)CSCOCc1ccccc1 62a_100000763385_100000748023 [1,1,0,0,0,0|1,0,1]=4 8901 B15R1.962 CCC(C)NCCOCc1ccccc1 2230a_100000209981_100000234347 [1,1,0,0,0,0|1,0,1]=4 8902 B15R1.962 CCC(C)NCCOCc1ccccc1 2230a_100000753106_100000758301 [1,1,0,0,0,0|1,0,1]=4 8903 B15R1.962 CCC(C)NCCOCc1ccccc1 34a_100000753106_100011215416 [1,1,0,0,0,0|1,0,1]=4 8904 B15R1.962 CCC(C)OCCOCc1ccccc1 34a_100000759325_100011215416 [1,1,0,0,0,0|1,0,1]=4 8905 B15R1.962 CCC(C)OCCOCc1ccccc1 7a_100000210228_100000234347 [1,1,0,0,0,0|1,0,1]=4 8906 B15R1.962 CCC(C)OCCOCc1ccccc1 7a_100000759325_100000758301 [1,1,0,0,0,0|1,0,1]=4 8907 B15R1.962 CCC(C)SCCOCc1ccccc1 62a_100000234347_100000758301 [1,1,0,0,0,0|1,0,1]=4 8908 B15R1.962 CCC(C)SCCOCc1ccccc1 62a_100000758301_100000234347 [1,1,0,0,0,0|1,0,1]=4 8909 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 2230a_100011218483_100016265936 [1,1,0,0,0,0|2,0,0]=4 8910 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 2230a_100020603302_100011218378 [1,1,0,0,0,0|2,0,0]=4 8911 B15R1.962 CCC(O)CNC/C=C/c1ccccc1 34a_100020603302_100011218378 [1,1,0,0,0,0|2,0,0]=4 8912 B15R1.962 CCC(O)CNCC=Cc1ccccc1 270004a_100011218483_100000210105 [1,1,0,0,0,0|2,0,0]=4 8913 B15R1.962 CCC(O)CNCOCc1ccccc1 2230a_100011218483_100000763385 [1,1,0,0,0,0|1,0,1]=4 8914 B15R1.962 CCC(O)COC/C=C/c1ccccc1 34a_100000210256_100011218378 [1,1,0,0,0,0|2,0,0]=4 8915 B15R1.962 CCC(O)CSC/C=C/c1ccccc1 62a_100011218378_100016265936 [1,1,0,0,0,0|2,0,0]=4 8916 B15R1.962 CCC(O)CSC/C=C/c1ccccc1 62a_100016265936_100011218378 [1,1,0,0,0,0|2,0,0]=4 8917 B15R1.962 CCC(O)CSCOCc1ccccc1 62a_100000763385_100011218378 [1,1,0,0,0,0|1,0,1]=4 8918 B15R1.962 CCC(O)CSCOCc1ccccc1 62a_100011218378_100000763385 [1,1,0,0,0,0|1,0,1]=4 8919 B15R1.962 CCN(C)CCCOCc1ccccc1 2230a_100000225621_100011215529 [1,1,0,0,0,0|1,0,1]=4 8920 B15R1.962 CCN(C)CCCOCc1ccccc1 2230a_100000233174_100000210202 [1,1,0,0,0,0|1,0,1]=4 8921 B15R1.962 CCN(C)CCCOCc1ccccc1 269982a_100000225621_100011215529 [1,1,0,0,0,0|1,0,1]=4 8922 B15R1.962 CCN(C)CCCOCc1ccccc1 269982a_100000233174_100000204670 [1,1,0,0,0,0|1,0,1]=4 8923 B15R1.962 CCN(C)CCCOCc1ccccc1 7a_100000210790_100015186262 [1,1,0,0,0,0|1,0,1]=4 8924 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 2230a_100020603302_100009816398 [1,1,0,0,0,0|2,0,0]=4 8925 B15R1.962 CC[C@H](C)CNC/C=C/c1ccccc1 34a_100020603302_100009816398 [1,1,0,0,0,0|2,0,0]=4 8926 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 34a_100000210256_100009816398 [1,1,0,0,0,0|2,0,0]=4 8927 B15R1.962 CC[C@H](C)COC/C=C/c1ccccc1 7a_100009816381_100016265936 [1,1,0,0,0,0|2,0,0]=4 8928 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100009816398_100016265936 [1,1,0,0,0,0|2,0,0]=4 8929 B15R1.962 CC[C@H](C)CSC/C=C/c1ccccc1 62a_100016265936_100009816398 [1,1,0,0,0,0|2,0,0]=4 8930 B15R1.962 CC[C@H](C)CSCOCc1ccccc1 62a_100000763385_100009816398 [1,1,0,0,0,0|1,0,1]=4 8931 B15R1.962 CC[C@H](C)CSCOCc1ccccc1 62a_100009816398_100000763385 [1,1,0,0,0,0|1,0,1]=4 8932 B15R1.962 C[C@@H](CN)CCCOCc1ccccc1 34a_100160569302_100015291786 [1,1,0,0,0,0|1,0,1]=4 8933 B15R1.96 CCCCCCNCC(=O)c1cccs1 2230a_100000210581_100000211436 [0,1,0,0,1,0|2,0,0]=4 8934 B15R1.96 CCCCCCNCC(=O)c1ccsc1 2230a_100000210581_100011219462 [0,1,0,0,1,0|2,0,0]=4 8935 B15R1.96 CCCCCCOCC(=O)c1ccc[nH]1 7a_100000210259_200011262396 [0,1,0,0,1,0|1,0,0]=3 8936 B15R1.96 CCCCCCOCC(=O)c1ccco1 7a_100000210259_100000211439 [0,1,0,0,1,0|1,0,0]=3 8937 B15R1.96 CCCCCCOCC(=O)c1cccs1 7a_100000210259_100000211436 [0,1,0,0,1,0|1,0,0]=3 8938 B15R1.96 CCCCCCOCC(=O)c1ccsc1 34a_100000210259_100011219462 [0,1,0,0,1,0|1,0,0]=3 8939 B15R1.96 CCCCCCOCC(=O)c1ccsc1 7a_100000210259_100011219462 [0,1,0,0,1,0|1,0,0]=3 8940 B15R1.96 CCCCCCOCC(=O)c1nccs1 7a_100000210259_100000718653 [0,1,0,0,1,0|2,0,0]=4 8941 B15R1.96 CCCCCCOCC(=O)n1cccn1 7a_100000210259_100000077511 [0,1,0,0,1,0|2,0,0]=4 8942 B15R1.96 CCCCCCSCC(=O)c1ccc[nH]1 62a_100000210314_200011262396 [0,1,0,0,1,0|1,1,0]=4 8943 B15R1.96 CCCCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210757 [0,1,0,0,1,0|1,1,0]=4 8944 B15R1.96 CCCCCCSCC(=O)c1ccco1 62a_100000210314_100000211439 [0,1,0,0,1,0|1,1,0]=4 8945 B15R1.96 CCCCCCSCC(=O)c1ccco1 62a_100000211439_100000210757 [0,1,0,0,1,0|1,1,0]=4 8946 B15R1.96 CCCCCCSCC(=O)c1cccs1 62a_100000210314_100000211436 [0,1,0,0,1,0|1,1,0]=4 8947 B15R1.96 CCCCCCSCC(=O)c1cccs1 62a_100000211436_100000210757 [0,1,0,0,1,0|1,1,0]=4 8948 B15R1.96 CCCCCCSCC(=O)c1ccsc1 62a_100000210314_100011219462 [0,1,0,0,1,0|1,1,0]=4 8949 B15R1.96 CCCCCCSCC(=O)c1ccsc1 62a_100011219462_100000210757 [0,1,0,0,1,0|1,1,0]=4 8950 B15R1.96 CCCCCNCCC(=O)c1cccs1 2230a_100000209983_100011290775 [0,1,0,0,1,0|2,0,0]=4 8951 B15R1.96 CCCCCOCCC(=O)c1cccs1 7a_100000210253_100011290775 [0,1,0,0,1,0|2,0,0]=4 8952 B15R1.96 CCCCCSCCC(=O)c1cccs1 62a_100000210326_100011290775 [0,1,0,0,1,0|2,0,0]=4 8953 B15R1.96 CCCCCSCCC(=O)c1cccs1 62a_100011290775_100000210326 [0,1,0,0,1,0|2,0,0]=4 8954 B15R1.96 CCCNCCCNC(=O)c1ccco1 34a_100025751042_100000210303 [0,1,0,0,1,0|2,0,0]=4 8955 B15R1.96 CCCOCCOCC(=O)c1ccc[nH]1 7a_100000752267_200011262396 [0,1,0,0,1,0|2,0,0]=4 8956 B15R1.96 CCCOCCOCC(=O)c1ccco1 7a_100000752267_100000211439 [0,1,0,0,1,0|2,0,0]=4 8957 B15R1.96 CCCOCCOCC(=O)c1cccs1 7a_100000752267_100000211436 [0,1,0,0,1,0|2,0,0]=4 8958 B15R1.96 CCCOCCOCC(=O)c1ccsc1 34a_100000752267_100011219462 [0,1,0,0,1,0|2,0,0]=4 8959 B15R1.96 CCCOCCOCC(=O)c1ccsc1 7a_100000752267_100011219462 [0,1,0,0,1,0|2,0,0]=4 8960 B15R1.96 CCCSCCOCC(=O)c1ccc[nH]1 7a_200000230433_200011262396 [0,1,0,0,1,0|2,0,0]=4 8961 B15R1.96 CCCSCCOCC(=O)c1ccco1 7a_200000230433_100000211439 [0,1,0,0,1,0|2,0,0]=4 8962 B15R1.96 CCCSCCOCC(=O)c1cccs1 7a_200000230433_100000211436 [0,1,0,0,1,0|2,0,0]=4 8963 B15R1.96 CCCSCCOCC(=O)c1ccsc1 34a_200000230433_100011219462 [0,1,0,0,1,0|2,0,0]=4 8964 B15R1.96 CCCSCCOCC(=O)c1ccsc1 7a_200000230433_100011219462 [0,1,0,0,1,0|2,0,0]=4 8965 B15R1.96 CCOCCCOCC(=O)c1ccc[nH]1 7a_100000757476_200011262396 [0,1,0,0,1,0|2,0,0]=4 8966 B15R1.96 CCOCCCOCC(=O)c1ccco1 7a_100000757476_100000211439 [0,1,0,0,1,0|2,0,0]=4 8967 B15R1.96 CCOCCCOCC(=O)c1cccs1 7a_100000757476_100000211436 [0,1,0,0,1,0|2,0,0]=4 8968 B15R1.96 CCOCCCOCC(=O)c1ccsc1 34a_100000757476_100011219462 [0,1,0,0,1,0|2,0,0]=4 8969 B15R1.96 CCOCCCOCC(=O)c1ccsc1 7a_100000757476_100011219462 [0,1,0,0,1,0|2,0,0]=4 8970 B15R1.96 CCSCCCOCC(=O)c1ccc[nH]1 7a_100011216438_200011262396 [0,1,0,0,1,0|2,0,0]=4 8971 B15R1.96 CCSCCCOCC(=O)c1ccco1 7a_100011216438_100000211439 [0,1,0,0,1,0|2,0,0]=4 8972 B15R1.96 CCSCCCOCC(=O)c1cccs1 7a_100011216438_100000211436 [0,1,0,0,1,0|2,0,0]=4 8973 B15R1.96 CCSCCCOCC(=O)c1ccsc1 34a_100011216438_100011219462 [0,1,0,0,1,0|2,0,0]=4 8974 B15R1.96 CCSCCCOCC(=O)c1ccsc1 7a_100011216438_100011219462 [0,1,0,0,1,0|2,0,0]=4 8975 B15R1.96 COCCCCOCC(=O)c1ccsc1 34a_100000740925_100011219462 [0,1,0,0,1,0|2,0,0]=4 8976 B15R1.96 CSCCCCOCC(=O)c1ccc[nH]1 7a_100011217163_200011262396 [0,1,0,0,1,0|2,0,0]=4 8977 B15R1.96 CSCCCCOCC(=O)c1ccco1 7a_100011217163_100000211439 [0,1,0,0,1,0|2,0,0]=4 8978 B15R1.96 CSCCCCOCC(=O)c1cccs1 7a_100011217163_100000211436 [0,1,0,0,1,0|2,0,0]=4 8979 B15R1.96 CSCCCCOCC(=O)c1ccsc1 34a_100011217163_100011219462 [0,1,0,0,1,0|2,0,0]=4 8980 B15R1.96 CSCCCCOCC(=O)c1ccsc1 7a_100011217163_100011219462 [0,1,0,0,1,0|2,0,0]=4 8981 B15R1.96 NCCCCCOCC(=O)c1ccsc1 34a_100000762737_100011219462 [0,1,0,0,1,0|2,0,0]=4 8982 B15R1.96 O=C(COCCCCCBr)c1ccc[nH]1 7a_100000746331_200011262396 [0,1,0,0,1,0|2,0,0]=4 8983 B15R1.96 O=C(COCCCCCBr)c1ccco1 7a_100000746331_100000211439 [0,1,0,0,1,0|2,0,0]=4 8984 B15R1.96 O=C(COCCCCCBr)c1cccs1 7a_100000746331_100000211436 [0,1,0,0,1,0|2,0,0]=4 8985 B15R1.96 O=C(COCCCCCBr)c1ccsc1 34a_100000746331_100011219462 [0,1,0,0,1,0|2,0,0]=4 8986 B15R1.96 O=C(COCCCCCBr)c1ccsc1 7a_100000746331_100011219462 [0,1,0,0,1,0|2,0,0]=4 8987 B15R1.96 O=C(COCCCCCCl)c1ccc[nH]1 7a_100000746330_200011262396 [0,1,0,0,1,0|2,0,0]=4 8988 B15R1.96 O=C(COCCCCCCl)c1ccco1 7a_100000746330_100000211439 [0,1,0,0,1,0|2,0,0]=4 8989 B15R1.96 O=C(COCCCCCCl)c1cccs1 7a_100000746330_100000211436 [0,1,0,0,1,0|2,0,0]=4 8990 B15R1.96 O=C(COCCCCCCl)c1ccsc1 34a_100000746330_100011219462 [0,1,0,0,1,0|2,0,0]=4 8991 B15R1.96 O=C(COCCCCCCl)c1ccsc1 7a_100000746330_100011219462 [0,1,0,0,1,0|2,0,0]=4 8992 B15R1.96 O=C(COCCCCCI)c1ccc[nH]1 7a_200012148887_200011262396 [0,1,0,0,1,0|2,0,0]=4 8993 B15R1.96 O=C(COCCCCCI)c1ccco1 7a_200012148887_100000211439 [0,1,0,0,1,0|2,0,0]=4 8994 B15R1.96 O=C(COCCCCCI)c1cccs1 7a_200012148887_100000211436 [0,1,0,0,1,0|2,0,0]=4 8995 B15R1.96 O=C(COCCCCCI)c1ccsc1 34a_200012148887_100011219462 [0,1,0,0,1,0|2,0,0]=4 8996 B15R1.96 O=C(COCCCCCI)c1ccsc1 7a_200012148887_100011219462 [0,1,0,0,1,0|2,0,0]=4 8997 B17R1.304 C#CC(Cc1ccccc1)OCCCCCC 34a_100000685211_100000210314 [0,1,0,0,0,1|1,0,1]=4 8998 B17R1.304 C#CC(Cc1ccccc1)OCCCCCC 7a_100000685211_100000210314 [0,1,0,0,0,1|1,0,1]=4 8999 B17R1.304 CCCCCCOC(C#N)Cc1ccccc1 7a_100000210259_100000183401 [0,1,0,0,0,1|1,0,1]=4 9000 B17R1.304 CCCCCCOC(CC)Cc1ccccc1 7a_100000760156_100000210314 [0,1,0,0,0,1|1,0,1]=4 9001 B17R1.304 CCCCCCOC(CN)Cc1ccccc1 34a_100000752270_100000210314 [0,1,0,0,0,1|1,0,1]=4 9002 B17R1.304 CCCCCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210314 [0,1,0,0,0,1|1,0,1]=4 9003 B17R1.744 CCCCCC#CC(=O)Cc1ccc(cc1)Br 1458a_100011215388_100000189115 [0,1,0,0,0,1|1,0,1]=4 9004 B17R1.744 CCCCCC#CC(=O)Cc1ccc(cc1)C 1458a_100011215388_100000210814 [0,1,0,0,0,1|1,0,1]=4 9005 B17R1.744 CCCCCC#CC(=O)Cc1ccc(cc1)Cl 1458a_100011215388_100000694040 [0,1,0,0,0,1|1,0,1]=4 9006 B17R1.744 CCCCCC#CC(=O)Cc1ccc(cc1)F 1458a_100011215388_100000198546 [0,1,0,0,0,1|1,0,1]=4 9007 B17R1.744 CCCCCC#CC(=O)Cc1ccc(cc1)I 1458a_100011215388_100000189116 [0,1,0,0,0,1|1,0,1]=4 9008 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215388 [0,1,0,0,0,1|1,0,1]=4 9009 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)C 22a_100000124888_100011215388 [0,1,0,0,0,1|1,0,1]=4 9010 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215388 [0,1,0,0,0,1|1,0,1]=4 9011 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)F 22a_100000185862_100011215388 [0,1,0,0,0,1|1,0,1]=4 9012 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)I 22a_100000185761_100011215388 [0,1,0,0,0,1|1,0,1]=4 9013 B17R1.744 CCCCCC#CC(=O)Nc1ccc(cc1)O 22a_100000185829_100011215388 [0,1,0,0,0,1|1,0,1]=4 9014 B17R1.744 CCCCCC=CC(=O)Cc1ccc(cc1)Br 1458a_100016263427_100000189115 [0,1,0,0,0,1|1,0,1]=4 9015 B17R1.744 CCCCCC=CC(=O)Cc1ccc(cc1)C 1458a_100016263427_100000210814 [0,1,0,0,0,1|1,0,1]=4 9016 B17R1.744 CCCCCC=CC(=O)Cc1ccc(cc1)Cl 1458a_100016263427_100000694040 [0,1,0,0,0,1|1,0,1]=4 9017 B17R1.744 CCCCCC=CC(=O)Cc1ccc(cc1)F 1458a_100016263427_100000198546 [0,1,0,0,0,1|1,0,1]=4 9018 B17R1.744 CCCCCC=CC(=O)Cc1ccc(cc1)I 1458a_100016263427_100000189116 [0,1,0,0,0,1|1,0,1]=4 9019 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100016263427 [0,1,0,0,0,1|1,0,1]=4 9020 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100016263427 [0,1,0,0,0,1|1,0,1]=4 9021 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100016263427 [0,1,0,0,0,1|1,0,1]=4 9022 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)C 11a_100000124888_100016263427 [0,1,0,0,0,1|1,0,1]=4 9023 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100016263427 [0,1,0,0,0,1|1,0,1]=4 9024 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100016263427 [0,1,0,0,0,1|1,0,1]=4 9025 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100016263427 [0,1,0,0,0,1|1,0,1]=4 9026 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100016263427 [0,1,0,0,0,1|1,0,1]=4 9027 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100016263427 [0,1,0,0,0,1|1,0,1]=4 9028 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)F 11a_100000185862_100016263427 [0,1,0,0,0,1|1,0,1]=4 9029 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100016263427 [0,1,0,0,0,1|1,0,1]=4 9030 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)F 22a_100000185862_100016263427 [0,1,0,0,0,1|1,0,1]=4 9031 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)I 11a_100000185761_100016263427 [0,1,0,0,0,1|1,0,1]=4 9032 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100016263427 [0,1,0,0,0,1|1,0,1]=4 9033 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)I 22a_100000185761_100016263427 [0,1,0,0,0,1|1,0,1]=4 9034 B17R1.744 CCCCCC=CC(=O)Nc1ccc(cc1)O 22a_100000185829_100016263427 [0,1,0,0,0,1|1,0,1]=4 9035 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210614 [0,1,0,0,0,1|1,0,0]=3 9036 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)Br 1458a_100000211969_100000189115 [0,1,0,0,0,1|1,0,0]=3 9037 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)C 1458a_100000211969_100000210814 [0,1,0,0,0,1|1,0,0]=3 9038 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210614 [0,1,0,0,0,1|1,0,0]=3 9039 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210614 [0,1,0,0,0,1|1,0,0]=3 9040 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211969_100000694040 [0,1,0,0,0,1|1,0,0]=3 9041 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210614 [0,1,0,0,0,1|1,0,0]=3 9042 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)F 1458a_100000211969_100000198546 [0,1,0,0,0,1|1,0,0]=3 9043 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)I 1458a_100000211969_100000189116 [0,1,0,0,0,1|1,0,0]=3 9044 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210614 [0,1,0,0,0,1|1,0,0]=3 9045 B17R1.744 CCCCCCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210614 [0,1,0,0,0,1|1,0,0]=3 9046 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)Br 1458a_100000211969_100000702658 [0,1,0,0,0,1|2,0,0]=4 9047 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)Br 1458a_100020629044_100000210614 [0,1,0,0,0,1|2,0,0]=4 9048 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)C 1458a_100000211969_100000691093 [0,1,0,0,0,1|2,0,0]=4 9049 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210614 [0,1,0,0,0,1|2,0,0]=4 9050 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)Cl 1458a_100000211969_100012066911 [0,1,0,0,0,1|2,0,0]=4 9051 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_100000210614 [0,1,0,0,0,1|2,0,0]=4 9052 B17R1.744 CCCCCCCC(=O)Cc1ccc(cn1)F 1458a_100000211969_100000703193 [0,1,0,0,0,1|2,0,0]=4 9053 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)Br 1458a_100000211969_100009831999 [0,1,0,0,0,1|2,0,0]=4 9054 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)Br 1458a_100010067268_100000210614 [0,1,0,0,0,1|2,0,0]=4 9055 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)C 1458a_100000211969_100016987292 [0,1,0,0,0,1|2,0,0]=4 9056 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)C 1458a_100000740413_100000210614 [0,1,0,0,0,1|2,0,0]=4 9057 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_100000210614 [0,1,0,0,0,1|2,0,0]=4 9058 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)Cl 1458a_100000211969_100000735431 [0,1,0,0,0,1|2,0,0]=4 9059 B17R1.744 CCCCCCCC(=O)Cc1ccc(nc1)F 1458a_100000211969_100009820150 [0,1,0,0,0,1|2,0,0]=4 9060 B17R1.744 CCCCCCCC(=O)Cn1ccc(=O)cc1 1458a_200000238563_100000210614 [0,1,0,0,0,1|2,0,0]=4 9061 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100000211969 [0,1,0,0,0,1|1,0,0]=3 9062 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000211969 [0,1,0,0,0,1|1,0,0]=3 9063 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000211969 [0,1,0,0,0,1|1,0,0]=3 9064 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100000211969 [0,1,0,0,0,1|1,0,0]=3 9065 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000211969 [0,1,0,0,0,1|1,0,0]=3 9066 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000211969 [0,1,0,0,0,1|1,0,0]=3 9067 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000211969 [0,1,0,0,0,1|1,0,0]=3 9068 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000211969 [0,1,0,0,0,1|1,0,0]=3 9069 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000211969 [0,1,0,0,0,1|1,0,0]=3 9070 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000211969 [0,1,0,0,0,1|1,0,0]=3 9071 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000211969 [0,1,0,0,0,1|1,0,0]=3 9072 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100000211969 [0,1,0,0,0,1|1,0,0]=3 9073 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100000211969 [0,1,0,0,0,1|1,0,0]=3 9074 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100000211969 [0,1,0,0,0,1|1,0,0]=3 9075 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100000211969 [0,1,0,0,0,1|1,0,0]=3 9076 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100000211969 [0,1,0,0,0,1|1,0,0]=3 9077 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100000211969 [0,1,0,0,0,1|1,0,0]=3 9078 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100000211969 [0,1,0,0,0,1|1,0,0]=3 9079 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100000211969 [0,1,0,0,0,1|1,0,0]=3 9080 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100000211969 [0,1,0,0,0,1|1,0,0]=3 9081 B17R1.744 CCCCCCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100000211969 [0,1,0,0,0,1|1,0,0]=3 9082 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)Br 11a_100000210581_100000198978 [0,1,0,0,0,1|1,0,0]=3 9083 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)Br 240690a_100000210581_100000198978 [0,1,0,0,0,1|1,0,0]=3 9084 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)Br 527a_100000210581_100000198978 [0,1,0,0,0,1|1,0,0]=3 9085 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)C 11a_100000210581_100000212244 [0,1,0,0,0,1|1,0,0]=3 9086 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)C 240690a_100000210581_100000212244 [0,1,0,0,0,1|1,0,0]=3 9087 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)C 527a_100000210581_100000212244 [0,1,0,0,0,1|1,0,0]=3 9088 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)Cl 11a_100000210581_100000211027 [0,1,0,0,0,1|1,0,0]=3 9089 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000210581_100000211027 [0,1,0,0,0,1|1,0,0]=3 9090 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)Cl 527a_100000210581_100000211027 [0,1,0,0,0,1|1,0,0]=3 9091 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)F 11a_100000210581_100000210951 [0,1,0,0,0,1|1,0,0]=3 9092 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)F 1626a_100000210581_100000210951 [0,1,0,0,0,1|1,0,0]=3 9093 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)F 240690a_100000210581_100000210951 [0,1,0,0,0,1|1,0,0]=3 9094 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)F 527a_100000210581_100000210951 [0,1,0,0,0,1|1,0,0]=3 9095 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)I 11a_100000210581_100000688869 [0,1,0,0,0,1|1,0,0]=3 9096 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)I 1626a_100000210581_100000688869 [0,1,0,0,0,1|1,0,0]=3 9097 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)I 240690a_100000210581_100000688869 [0,1,0,0,0,1|1,0,0]=3 9098 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)I 527a_100000210581_100000688869 [0,1,0,0,0,1|1,0,0]=3 9099 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)O 1626a_100000210581_100000198540 [0,1,0,0,0,1|1,0,0]=3 9100 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)O 240690a_100000210581_100000198540 [0,1,0,0,0,1|1,0,0]=3 9101 B17R1.744 CCCCCCNC(=O)Cc1ccc(cc1)O 527a_100000210581_100000198540 [0,1,0,0,0,1|1,0,0]=3 9102 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)Br 11a_100000210581_100020629044 [0,1,0,0,0,1|2,0,0]=4 9103 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)Br 240690a_100000210581_100020629044 [0,1,0,0,0,1|2,0,0]=4 9104 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)C 11a_100000210581_100025705728 [0,1,0,0,0,1|2,0,0]=4 9105 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)C 1626a_100000210581_100025705728 [0,1,0,0,0,1|2,0,0]=4 9106 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)C 240690a_100000210581_100025705728 [0,1,0,0,0,1|2,0,0]=4 9107 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)Cl 11a_100000210581_100000728320 [0,1,0,0,0,1|2,0,0]=4 9108 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)Cl 1626a_100000210581_100000728320 [0,1,0,0,0,1|2,0,0]=4 9109 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)Cl 240690a_100000210581_100000728320 [0,1,0,0,0,1|2,0,0]=4 9110 B17R1.744 CCCCCCNC(=O)Cc1ccc(cn1)Cl 527a_100000210581_100000728320 [0,1,0,0,0,1|2,0,0]=4 9111 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Br 11a_100000210581_100010067268 [0,1,0,0,0,1|2,0,0]=4 9112 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Br 240690a_100000210581_100010067268 [0,1,0,0,0,1|2,0,0]=4 9113 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Br 527a_100000210581_100010067268 [0,1,0,0,0,1|2,0,0]=4 9114 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)C 11a_100000210581_100000740413 [0,1,0,0,0,1|2,0,0]=4 9115 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)C 1626a_100000210581_100000740413 [0,1,0,0,0,1|2,0,0]=4 9116 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)C 240690a_100000210581_100000740413 [0,1,0,0,0,1|2,0,0]=4 9117 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)C 527a_100000210581_100000740413 [0,1,0,0,0,1|2,0,0]=4 9118 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Cl 11a_100000210581_100000061944 [0,1,0,0,0,1|2,0,0]=4 9119 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Cl 1626a_100000210581_100000061944 [0,1,0,0,0,1|2,0,0]=4 9120 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Cl 240690a_100000210581_100000061944 [0,1,0,0,0,1|2,0,0]=4 9121 B17R1.744 CCCCCCNC(=O)Cc1ccc(nc1)Cl 527a_100000210581_100000061944 [0,1,0,0,0,1|2,0,0]=4 9122 B17R1.744 CCCCCCNC(=O)Cn1ccc(=O)cc1 11a_100000210581_200000238563 [0,1,0,0,0,1|2,0,0]=4 9123 B17R1.744 CCCCCCNC(=O)Cn1ccc(=O)cc1 1626a_100000210581_200000238563 [0,1,0,0,0,1|2,0,0]=4 9124 B17R1.744 CCCCCCNC(=O)Cn1ccc(=O)cc1 240690a_100000210581_200000238563 [0,1,0,0,0,1|2,0,0]=4 9125 B17R1.744 CCCCCCNC(=O)Cn1ccc(=O)cc1 527a_100000210581_200000238563 [0,1,0,0,0,1|2,0,0]=4 9126 B17R1.744 CCCCCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000210581 [0,1,0,0,0,1|1,0,0]=3 9127 B17R1.744 CCCCCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100000210581 [0,1,0,0,0,1|1,0,0]=3 9128 B17R1.744 CCCCCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000210581 [0,1,0,0,0,1|1,0,0]=3 9129 B17R1.744 CCCCCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000210581 [0,1,0,0,0,1|1,0,0]=3 9130 B17R1.744 CCCCCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000210581 [0,1,0,0,0,1|1,0,0]=3 9131 B17R1.744 CCCCCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000210581 [0,1,0,0,0,1|1,0,0]=3 9132 B17R1.744 CCCCCCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210314 [0,1,0,0,0,1|1,0,1]=4 9133 B17R1.744 CCCCCCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210314 [0,1,0,0,0,1|1,0,1]=4 9134 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)Br 2230a_100000209983_100000183692 [0,1,0,0,0,1|2,0,0]=4 9135 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)Br 2230a_100000741985_100000210326 [0,1,0,0,0,1|2,0,0]=4 9136 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)C 2230a_100000209983_100000182914 [0,1,0,0,0,1|2,0,0]=4 9137 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)Cl 2230a_100000209983_100000182960 [0,1,0,0,0,1|2,0,0]=4 9138 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)F 2230a_100000209983_100000181725 [0,1,0,0,0,1|2,0,0]=4 9139 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)F 2230a_100025683178_100000210326 [0,1,0,0,0,1|2,0,0]=4 9140 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)F 34a_100025683178_100000718602 [0,1,0,0,0,1|2,0,0]=4 9141 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)I 2230a_100000209983_100000183000 [0,1,0,0,0,1|2,0,0]=4 9142 B17R1.744 CCCCCNCC(=O)Nc1ccc(cc1)O 2230a_100000209983_100000233757 [0,1,0,0,0,1|2,0,0]=4 9143 B17R1.744 CCCCCNCC(=O)Oc1ccc(cc1)Br 2230a_100000209983_200010760497 [0,1,0,0,0,1|2,0,0]=4 9144 B17R1.744 CCCCCNNC(=O)Cc1ccc(cc1)Br 22a_100000694160_100000198978 [0,1,0,0,0,1|2,0,0]=4 9145 B17R1.744 CCCCCNNC(=O)Cc1ccc(cc1)C 22a_100000694160_100000212244 [0,1,0,0,0,1|2,0,0]=4 9146 B17R1.744 CCCCCNNC(=O)Cc1ccc(cc1)Cl 22a_100000694160_100000211027 [0,1,0,0,0,1|2,0,0]=4 9147 B17R1.744 CCCCCNNC(=O)Cc1ccc(cc1)F 22a_100000694160_100000210951 [0,1,0,0,0,1|2,0,0]=4 9148 B17R1.744 CCCCCNNC(=O)Cc1ccc(cc1)I 22a_100000694160_100000688869 [0,1,0,0,0,1|2,0,0]=4 9149 B17R1.744 CCCCCNNC(=O)Cc1ccc(cc1)O 22a_100000694160_100000198540 [0,1,0,0,0,1|2,0,0]=4 9150 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)Br 34a_100000210253_100000183692 [0,1,0,0,0,1|2,0,0]=4 9151 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)Br 7a_100000210253_100000183692 [0,1,0,0,0,1|2,0,0]=4 9152 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)C 34a_100000210253_100000182914 [0,1,0,0,0,1|2,0,0]=4 9153 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)C 7a_100000210253_100000182914 [0,1,0,0,0,1|2,0,0]=4 9154 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)Cl 34a_100000210253_100000182960 [0,1,0,0,0,1|2,0,0]=4 9155 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)Cl 7a_100000210253_100000182960 [0,1,0,0,0,1|2,0,0]=4 9156 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)F 34a_100000210253_100000181725 [0,1,0,0,0,1|2,0,0]=4 9157 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)F 7a_100000210253_100000181725 [0,1,0,0,0,1|2,0,0]=4 9158 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)I 34a_100000210253_100000183000 [0,1,0,0,0,1|2,0,0]=4 9159 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)I 7a_100000210253_100000183000 [0,1,0,0,0,1|2,0,0]=4 9160 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)N 34a_100011269904_100000718602 [0,1,0,0,0,1|2,0,0]=4 9161 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)O 34a_100000210253_100000233757 [0,1,0,0,0,1|2,0,0]=4 9162 B17R1.744 CCCCCOCC(=O)Nc1ccc(cc1)O 7a_100000210253_100000233757 [0,1,0,0,0,1|2,0,0]=4 9163 B17R1.744 CCCCCOCC(=O)Oc1ccc(cc1)Br 34a_100000210253_200010760497 [0,1,0,0,0,1|2,0,0]=4 9164 B17R1.744 CCCCCOCC(=O)Oc1ccc(cc1)Br 7a_100000210253_200010760497 [0,1,0,0,0,1|2,0,0]=4 9165 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)Br 62a_100000183692_100000210326 [0,1,0,0,0,1|2,0,0]=4 9166 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)Br 62a_100000210326_100000183692 [0,1,0,0,0,1|2,0,0]=4 9167 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)C 62a_100000210326_100000182914 [0,1,0,0,0,1|2,0,0]=4 9168 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)Cl 62a_100000210326_100000182960 [0,1,0,0,0,1|2,0,0]=4 9169 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)Cl 62a_200011202288_100000210326 [0,1,0,0,0,1|2,0,0]=4 9170 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)F 62a_100000210326_100000181725 [0,1,0,0,0,1|2,0,0]=4 9171 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)F 62a_200000243717_100000210326 [0,1,0,0,0,1|2,0,0]=4 9172 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)I 62a_100000183000_100000210326 [0,1,0,0,0,1|2,0,0]=4 9173 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)I 62a_100000210326_100000183000 [0,1,0,0,0,1|2,0,0]=4 9174 B17R1.744 CCCCCSCC(=O)Nc1ccc(cc1)O 62a_100000210326_100000233757 [0,1,0,0,0,1|2,0,0]=4 9175 B17R1.744 CCCCCSCC(=O)Oc1ccc(cc1)Br 62a_100000210326_200010760497 [0,1,0,0,0,1|2,0,0]=4 9176 B17R1.744 CCCCCSCC(=O)Oc1ccc(cc1)Br 62a_200010760497_100000210326 [0,1,0,0,0,1|2,0,0]=4 9177 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)Br 2230a_100000102301_100000740023 [0,1,0,0,0,1|2,0,0]=4 9178 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)Br 2230a_100000743120_100000210211 [0,1,0,0,0,1|2,0,0]=4 9179 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)Br 34a_100000743120_100000210210 [0,1,0,0,0,1|2,0,0]=4 9180 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)Br 7a_106832991798_100000740023 [0,1,0,0,0,1|2,0,0]=4 9181 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)C 2230a_100000102301_200000187088 [0,1,0,0,0,1|2,0,0]=4 9182 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)C 34a_100015187665_100000210210 [0,1,0,0,0,1|2,0,0]=4 9183 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)C 7a_106832991798_200000187088 [0,1,0,0,0,1|2,0,0]=4 9184 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)Cl 2230a_100000102301_100000188356 [0,1,0,0,0,1|2,0,0]=4 9185 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)Cl 7a_106832991798_100000188356 [0,1,0,0,0,1|2,0,0]=4 9186 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)F 2230a_100000102301_100000736363 [0,1,0,0,0,1|2,0,0]=4 9187 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)F 2230a_100015184513_100000210211 [0,1,0,0,0,1|2,0,0]=4 9188 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)F 34a_100015184513_100000210210 [0,1,0,0,0,1|2,0,0]=4 9189 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)F 7a_106832991798_100000736363 [0,1,0,0,0,1|2,0,0]=4 9190 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)O 2230a_100000102301_100011302330 [0,1,0,0,0,1|2,0,0]=4 9191 B17R1.744 CCCCNCCC(=O)Nc1ccc(cc1)O 7a_106832991798_100011302330 [0,1,0,0,0,1|2,0,0]=4 9192 B17R1.744 CCCCOCCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000743108 [0,1,0,0,0,1|2,0,0]=4 9193 B17R1.744 CCCCOCCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000743108 [0,1,0,0,0,1|2,0,0]=4 9194 B17R1.744 CCCCOCCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000743108 [0,1,0,0,0,1|2,0,0]=4 9195 B17R1.744 CCCCOCCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000743108 [0,1,0,0,0,1|2,0,0]=4 9196 B17R1.744 CCCCOCCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000743108 [0,1,0,0,0,1|2,0,0]=4 9197 B17R1.744 CCCCOCCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000743108 [0,1,0,0,0,1|2,0,0]=4 9198 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)Br 34a_100000210227_100000740023 [0,1,0,0,0,1|2,0,0]=4 9199 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)Br 7a_100000210227_100000740023 [0,1,0,0,0,1|2,0,0]=4 9200 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)C 34a_100000210227_200000187088 [0,1,0,0,0,1|2,0,0]=4 9201 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)C 34a_200009859269_100000210210 [0,1,0,0,0,1|2,0,0]=4 9202 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)C 7a_100000210227_200000187088 [0,1,0,0,0,1|2,0,0]=4 9203 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)C 7a_200009859269_100000210211 [0,1,0,0,0,1|2,0,0]=4 9204 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)Cl 7a_100000210227_100000188356 [0,1,0,0,0,1|2,0,0]=4 9205 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)F 7a_100000210227_100000736363 [0,1,0,0,0,1|2,0,0]=4 9206 B17R1.744 CCCCOCCC(=O)Nc1ccc(cc1)O 7a_100000210227_100011302330 [0,1,0,0,0,1|2,0,0]=4 9207 B17R1.744 CCCCSCCC(=O)Nc1ccc(cc1)Br 62a_100000210211_100000740023 [0,1,0,0,0,1|2,0,0]=4 9208 B17R1.744 CCCCSCCC(=O)Nc1ccc(cc1)Br 62a_100011219129_100000210210 [0,1,0,0,0,1|2,0,0]=4 9209 B17R1.744 CCCCSCCC(=O)Nc1ccc(cc1)C 62a_100000210211_200000187088 [0,1,0,0,0,1|2,0,0]=4 9210 B17R1.744 CCCCSCCC(=O)Nc1ccc(cc1)Cl 62a_100000210211_100000188356 [0,1,0,0,0,1|2,0,0]=4 9211 B17R1.744 CCCCSCCC(=O)Nc1ccc(cc1)F 62a_100000210211_100000736363 [0,1,0,0,0,1|2,0,0]=4 9212 B17R1.744 CCCCSCCC(=O)Nc1ccc(cc1)O 62a_100000210211_100011302330 [0,1,0,0,0,1|2,0,0]=4 9213 B17R1.744 CCCOCCCC(=O)Nc1ccc(cc1)Br 34a_100000210258_100000190511 [0,1,0,0,0,1|2,0,0]=4 9214 B17R1.744 CCCOCCCC(=O)Nc1ccc(cc1)C 34a_100000210258_200011194843 [0,1,0,0,0,1|2,0,0]=4 9215 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)Br 240690a_100161115042_100000198978 [0,1,0,0,0,1|2,0,0]=4 9216 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)Br 527a_100161115042_100000198978 [0,1,0,0,0,1|2,0,0]=4 9217 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)C 240690a_100161115042_100000212244 [0,1,0,0,0,1|2,0,0]=4 9218 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)C 527a_100161115042_100000212244 [0,1,0,0,0,1|2,0,0]=4 9219 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)Cl 240690a_100161115042_100000211027 [0,1,0,0,0,1|2,0,0]=4 9220 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)Cl 527a_100161115042_100000211027 [0,1,0,0,0,1|2,0,0]=4 9221 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)F 1626a_100161115042_100000210951 [0,1,0,0,0,1|2,0,0]=4 9222 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)F 240690a_100161115042_100000210951 [0,1,0,0,0,1|2,0,0]=4 9223 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)F 527a_100161115042_100000210951 [0,1,0,0,0,1|2,0,0]=4 9224 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)I 1626a_100161115042_100000688869 [0,1,0,0,0,1|2,0,0]=4 9225 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)I 240690a_100161115042_100000688869 [0,1,0,0,0,1|2,0,0]=4 9226 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)I 527a_100161115042_100000688869 [0,1,0,0,0,1|2,0,0]=4 9227 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)O 1626a_100161115042_100000198540 [0,1,0,0,0,1|2,0,0]=4 9228 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)O 240690a_100161115042_100000198540 [0,1,0,0,0,1|2,0,0]=4 9229 B17R1.744 CCCOCCNC(=O)Cc1ccc(cc1)O 527a_100161115042_100000198540 [0,1,0,0,0,1|2,0,0]=4 9230 B17R1.744 CCCOCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100161115042 [0,1,0,0,0,1|2,0,0]=4 9231 B17R1.744 CCCOCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100161115042 [0,1,0,0,0,1|2,0,0]=4 9232 B17R1.744 CCCOCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100161115042 [0,1,0,0,0,1|2,0,0]=4 9233 B17R1.744 CCCOCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100161115042 [0,1,0,0,0,1|2,0,0]=4 9234 B17R1.744 CCCOCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100161115042 [0,1,0,0,0,1|2,0,0]=4 9235 B17R1.744 CCCOCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100161115042 [0,1,0,0,0,1|2,0,0]=4 9236 B17R1.744 CCCSCCCC(=O)Nc1ccc(cc1)Br 62a_100000210303_100000190511 [0,1,0,0,0,1|2,0,0]=4 9237 B17R1.744 CCCSCCCC(=O)Nc1ccc(cc1)C 62a_100000210303_200011194843 [0,1,0,0,0,1|2,0,0]=4 9238 B17R1.744 CCCSCCCC(=O)Oc1ccc(cc1)F 62a_100000210303_100000010882 [0,1,0,0,0,1|2,0,0]=4 9239 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)Br 11a_100020603323_100000198978 [0,1,0,0,0,1|2,0,0]=4 9240 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)Br 240690a_100020603323_100000198978 [0,1,0,0,0,1|2,0,0]=4 9241 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)Br 527a_100020603323_100000198978 [0,1,0,0,0,1|2,0,0]=4 9242 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)C 11a_100020603323_100000212244 [0,1,0,0,0,1|2,0,0]=4 9243 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)C 240690a_100020603323_100000212244 [0,1,0,0,0,1|2,0,0]=4 9244 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)C 527a_100020603323_100000212244 [0,1,0,0,0,1|2,0,0]=4 9245 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)Cl 11a_100020603323_100000211027 [0,1,0,0,0,1|2,0,0]=4 9246 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)Cl 240690a_100020603323_100000211027 [0,1,0,0,0,1|2,0,0]=4 9247 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)Cl 527a_100020603323_100000211027 [0,1,0,0,0,1|2,0,0]=4 9248 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)F 11a_100020603323_100000210951 [0,1,0,0,0,1|2,0,0]=4 9249 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)F 240690a_100020603323_100000210951 [0,1,0,0,0,1|2,0,0]=4 9250 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)F 527a_100020603323_100000210951 [0,1,0,0,0,1|2,0,0]=4 9251 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)I 11a_100020603323_100000688869 [0,1,0,0,0,1|2,0,0]=4 9252 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)I 240690a_100020603323_100000688869 [0,1,0,0,0,1|2,0,0]=4 9253 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)I 527a_100020603323_100000688869 [0,1,0,0,0,1|2,0,0]=4 9254 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)O 240690a_100020603323_100000198540 [0,1,0,0,0,1|2,0,0]=4 9255 B17R1.744 CCCSCCNC(=O)Cc1ccc(cc1)O 527a_100020603323_100000198540 [0,1,0,0,0,1|2,0,0]=4 9256 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100020603323 [0,1,0,0,0,1|2,0,0]=4 9257 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100020603323 [0,1,0,0,0,1|2,0,0]=4 9258 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100020603323 [0,1,0,0,0,1|2,0,0]=4 9259 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100020603323 [0,1,0,0,0,1|2,0,0]=4 9260 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)F 62a_100000210303_100000163319 [0,1,0,0,0,1|2,0,0]=4 9261 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100020603323 [0,1,0,0,0,1|2,0,0]=4 9262 B17R1.744 CCCSCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100020603323 [0,1,0,0,0,1|2,0,0]=4 9263 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)Br 11a_100000210961_100000198978 [0,1,0,0,0,1|2,0,0]=4 9264 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)Br 240690a_100000210961_100000198978 [0,1,0,0,0,1|2,0,0]=4 9265 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)Br 527a_100000210961_100000198978 [0,1,0,0,0,1|2,0,0]=4 9266 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)C 11a_100000210961_100000212244 [0,1,0,0,0,1|2,0,0]=4 9267 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)C 240690a_100000210961_100000212244 [0,1,0,0,0,1|2,0,0]=4 9268 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)C 527a_100000210961_100000212244 [0,1,0,0,0,1|2,0,0]=4 9269 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)Cl 11a_100000210961_100000211027 [0,1,0,0,0,1|2,0,0]=4 9270 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)Cl 240690a_100000210961_100000211027 [0,1,0,0,0,1|2,0,0]=4 9271 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)Cl 527a_100000210961_100000211027 [0,1,0,0,0,1|2,0,0]=4 9272 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)F 11a_100000210961_100000210951 [0,1,0,0,0,1|2,0,0]=4 9273 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)F 1626a_100000210961_100000210951 [0,1,0,0,0,1|2,0,0]=4 9274 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)F 240690a_100000210961_100000210951 [0,1,0,0,0,1|2,0,0]=4 9275 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)F 527a_100000210961_100000210951 [0,1,0,0,0,1|2,0,0]=4 9276 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)I 11a_100000210961_100000688869 [0,1,0,0,0,1|2,0,0]=4 9277 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)I 1626a_100000210961_100000688869 [0,1,0,0,0,1|2,0,0]=4 9278 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)I 240690a_100000210961_100000688869 [0,1,0,0,0,1|2,0,0]=4 9279 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)I 527a_100000210961_100000688869 [0,1,0,0,0,1|2,0,0]=4 9280 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)O 1626a_100000210961_100000198540 [0,1,0,0,0,1|2,0,0]=4 9281 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)O 240690a_100000210961_100000198540 [0,1,0,0,0,1|2,0,0]=4 9282 B17R1.744 CCOCCCNC(=O)Cc1ccc(cc1)O 527a_100000210961_100000198540 [0,1,0,0,0,1|2,0,0]=4 9283 B17R1.744 CCOCCCNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100000210961 [0,1,0,0,0,1|2,0,0]=4 9284 B17R1.744 CCOCCCNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100000210961 [0,1,0,0,0,1|2,0,0]=4 9285 B17R1.744 CCOCCCNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100000210961 [0,1,0,0,0,1|2,0,0]=4 9286 B17R1.744 CCOCCCNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100000210961 [0,1,0,0,0,1|2,0,0]=4 9287 B17R1.744 CCOCCCNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100000210961 [0,1,0,0,0,1|2,0,0]=4 9288 B17R1.744 CCOCCCNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100000210961 [0,1,0,0,0,1|2,0,0]=4 9289 B17R1.744 COCCCCCC(=O)Cc1ccc(cc1)Br 1458a_100011935119_100000189115 [0,1,0,0,0,1|2,0,0]=4 9290 B17R1.744 COCCCCCC(=O)Cc1ccc(cc1)C 1458a_100011935119_100000210814 [0,1,0,0,0,1|2,0,0]=4 9291 B17R1.744 COCCCCCC(=O)Cc1ccc(cc1)Cl 1458a_100011935119_100000694040 [0,1,0,0,0,1|2,0,0]=4 9292 B17R1.744 COCCCCCC(=O)Cc1ccc(cc1)F 1458a_100011935119_100000198546 [0,1,0,0,0,1|2,0,0]=4 9293 B17R1.744 COCCCCCC(=O)Cc1ccc(cc1)I 1458a_100011935119_100000189116 [0,1,0,0,0,1|2,0,0]=4 9294 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Br 11a_100000210018_100011935119 [0,1,0,0,0,1|2,0,0]=4 9295 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100011935119 [0,1,0,0,0,1|2,0,0]=4 9296 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Br 22a_100000210018_100011935119 [0,1,0,0,0,1|2,0,0]=4 9297 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Br 527a_100000210018_100011935119 [0,1,0,0,0,1|2,0,0]=4 9298 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)C 11a_100000124888_100011935119 [0,1,0,0,0,1|2,0,0]=4 9299 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100011935119 [0,1,0,0,0,1|2,0,0]=4 9300 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)C 22a_100000124888_100011935119 [0,1,0,0,0,1|2,0,0]=4 9301 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)C 527a_100000124888_100011935119 [0,1,0,0,0,1|2,0,0]=4 9302 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100011935119 [0,1,0,0,0,1|2,0,0]=4 9303 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100011935119 [0,1,0,0,0,1|2,0,0]=4 9304 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011935119 [0,1,0,0,0,1|2,0,0]=4 9305 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100011935119 [0,1,0,0,0,1|2,0,0]=4 9306 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)F 11a_100000185862_100011935119 [0,1,0,0,0,1|2,0,0]=4 9307 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)F 1626a_100000185862_100011935119 [0,1,0,0,0,1|2,0,0]=4 9308 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)F 22a_100000185862_100011935119 [0,1,0,0,0,1|2,0,0]=4 9309 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)F 527a_100000185862_100011935119 [0,1,0,0,0,1|2,0,0]=4 9310 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)I 11a_100000185761_100011935119 [0,1,0,0,0,1|2,0,0]=4 9311 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)I 1626a_100000185761_100011935119 [0,1,0,0,0,1|2,0,0]=4 9312 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)I 22a_100000185761_100011935119 [0,1,0,0,0,1|2,0,0]=4 9313 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)I 527a_100000185761_100011935119 [0,1,0,0,0,1|2,0,0]=4 9314 B17R1.744 COCCCCCC(=O)Nc1ccc(cc1)O 22a_100000185829_100011935119 [0,1,0,0,0,1|2,0,0]=4 9315 B17R1.744 Cc1ccc(cc1)CC(=O)CCCCCCF 1458a_100000212244_100015922095 [0,1,0,0,0,1|2,0,0]=4 9316 B17R1.744 Cc1ccc(cc1)CC(=O)CCCCCCO 1458a_100000212244_100000766143 [0,1,0,0,0,1|2,0,0]=4 9317 B17R1.744 Cc1ccc(cc1)CC(=O)CCCCCCO 1458a_100011996774_100000210814 [0,1,0,0,0,1|2,0,0]=4 9318 B17R1.744 Cc1ccc(cc1)CC(=O)NCCCCCO 240690a_100000762737_100000212244 [0,1,0,0,0,1|2,0,0]=4 9319 B17R1.744 Cc1ccc(cc1)NC(=O)NCCCCCO 2430a_100000124888_100000762737 [0,1,0,0,0,1|2,0,0]=4 9320 B17R1.744 O=C(CCCCCCF)Cc1ccc(cc1)Br 1458a_100000198978_100015922095 [0,1,0,0,0,1|2,0,0]=4 9321 B17R1.744 O=C(CCCCCCF)Cc1ccc(cc1)Cl 1458a_100000211027_100015922095 [0,1,0,0,0,1|2,0,0]=4 9322 B17R1.744 O=C(CCCCCCF)Cc1ccc(cc1)F 1458a_100000210951_100015922095 [0,1,0,0,0,1|2,0,0]=4 9323 B17R1.744 O=C(CCCCCCF)Cc1ccc(cc1)I 1458a_100000688869_100015922095 [0,1,0,0,0,1|2,0,0]=4 9324 B17R1.744 O=C(CCCCCCF)Cc1ccc(cc1)O 1458a_100000198540_100015922095 [0,1,0,0,0,1|2,0,0]=4 9325 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)Br 1458a_100000198978_100000766143 [0,1,0,0,0,1|2,0,0]=4 9326 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)Br 1458a_100011996774_100000189115 [0,1,0,0,0,1|2,0,0]=4 9327 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000766143 [0,1,0,0,0,1|2,0,0]=4 9328 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)Cl 1458a_100011996774_100000694040 [0,1,0,0,0,1|2,0,0]=4 9329 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)F 1458a_100000210951_100000766143 [0,1,0,0,0,1|2,0,0]=4 9330 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)F 1458a_100011996774_100000198546 [0,1,0,0,0,1|2,0,0]=4 9331 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)I 1458a_100000688869_100000766143 [0,1,0,0,0,1|2,0,0]=4 9332 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)I 1458a_100011996774_100000189116 [0,1,0,0,0,1|2,0,0]=4 9333 B17R1.744 O=C(CCCCCCO)Cc1ccc(cc1)O 1458a_100000198540_100000766143 [0,1,0,0,0,1|2,0,0]=4 9334 B17R1.744 O=C(Cc1ccc(cc1)Br)NCCCCCO 240690a_100000762737_100000198978 [0,1,0,0,0,1|2,0,0]=4 9335 B17R1.744 O=C(Cc1ccc(cc1)Cl)NCCCCCO 240690a_100000762737_100000211027 [0,1,0,0,0,1|2,0,0]=4 9336 B17R1.744 O=C(Cc1ccc(cc1)F)NCCCCCO 240690a_100000762737_100000210951 [0,1,0,0,0,1|2,0,0]=4 9337 B17R1.744 O=C(Cc1ccc(cc1)I)NCCCCCO 240690a_100000762737_100000688869 [0,1,0,0,0,1|2,0,0]=4 9338 B17R1.744 O=C(Cc1ccc(cc1)O)NCCCCCO 240690a_100000762737_100000198540 [0,1,0,0,0,1|2,0,0]=4 9339 B17R1.744 O=C(NCCCCCO)Nc1ccc(cc1)Br 2430a_100000210018_100000762737 [0,1,0,0,0,1|2,0,0]=4 9340 B17R1.744 O=C(NCCCCCO)Nc1ccc(cc1)Cl 2430a_100000210052_100000762737 [0,1,0,0,0,1|2,0,0]=4 9341 B17R1.744 O=C(NCCCCCO)Nc1ccc(cc1)F 2430a_100000185862_100000762737 [0,1,0,0,0,1|2,0,0]=4 9342 B17R1.744 O=C(NCCCCCO)Nc1ccc(cc1)I 2430a_100000185761_100000762737 [0,1,0,0,0,1|2,0,0]=4 9343 B17R1.744 O=C(NCCCCCO)Nc1ccc(cc1)O 2430a_100000185829_100000762737 [0,1,0,0,0,1|2,0,0]=4 9344 B17R1.745 CCCCCC#CC(=O)Cc1cccc(c1)Br 1458a_100011215388_100000211773 [0,1,0,0,0,1|1,0,1]=4 9345 B17R1.745 CCCCCC#CC(=O)Cc1cccc(c1)C 1458a_100011215388_100000211840 [0,1,0,0,0,1|1,0,1]=4 9346 B17R1.745 CCCCCC#CC(=O)Cc1cccc(c1)Cl 1458a_100011215388_100000181238 [0,1,0,0,0,1|1,0,1]=4 9347 B17R1.745 CCCCCC#CC(=O)Cc1cccc(c1)F 1458a_100011215388_100000230114 [0,1,0,0,0,1|1,0,1]=4 9348 B17R1.745 CCCCCC#CC(=O)Cc1cccc(c1)I 1458a_100011215388_100011218688 [0,1,0,0,0,1|1,0,1]=4 9349 B17R1.745 CCCCCC#CC(=O)Cc1cccc(c1)O 1458a_100011215388_100011660834 [0,1,0,0,0,1|1,0,1]=4 9350 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)Br 22a_100000210019_100011215388 [0,1,0,0,0,1|1,0,1]=4 9351 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)C 22a_100000188690_100011215388 [0,1,0,0,0,1|1,0,1]=4 9352 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215388 [0,1,0,0,0,1|1,0,1]=4 9353 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)F 22a_100000210047_100011215388 [0,1,0,0,0,1|1,0,1]=4 9354 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)I 22a_100000211102_100011215388 [0,1,0,0,0,1|1,0,1]=4 9355 B17R1.745 CCCCCC#CC(=O)Nc1cccc(c1)O 22a_100000210217_100011215388 [0,1,0,0,0,1|1,0,1]=4 9356 B17R1.745 CCCCCC=CC(=O)Cc1cccc(c1)Br 1458a_100016263427_100000211773 [0,1,0,0,0,1|1,0,1]=4 9357 B17R1.745 CCCCCC=CC(=O)Cc1cccc(c1)C 1458a_100016263427_100000211840 [0,1,0,0,0,1|1,0,1]=4 9358 B17R1.745 CCCCCC=CC(=O)Cc1cccc(c1)Cl 1458a_100016263427_100000181238 [0,1,0,0,0,1|1,0,1]=4 9359 B17R1.745 CCCCCC=CC(=O)Cc1cccc(c1)F 1458a_100016263427_100000230114 [0,1,0,0,0,1|1,0,1]=4 9360 B17R1.745 CCCCCC=CC(=O)Cc1cccc(c1)I 1458a_100016263427_100011218688 [0,1,0,0,0,1|1,0,1]=4 9361 B17R1.745 CCCCCC=CC(=O)Cc1cccc(c1)O 1458a_100016263427_100011660834 [0,1,0,0,0,1|1,0,1]=4 9362 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)Br 11a_100000210019_100016263427 [0,1,0,0,0,1|1,0,1]=4 9363 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100016263427 [0,1,0,0,0,1|1,0,1]=4 9364 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)Br 22a_100000210019_100016263427 [0,1,0,0,0,1|1,0,1]=4 9365 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)C 11a_100000188690_100016263427 [0,1,0,0,0,1|1,0,1]=4 9366 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100016263427 [0,1,0,0,0,1|1,0,1]=4 9367 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)C 22a_100000188690_100016263427 [0,1,0,0,0,1|1,0,1]=4 9368 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100016263427 [0,1,0,0,0,1|1,0,1]=4 9369 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100016263427 [0,1,0,0,0,1|1,0,1]=4 9370 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100016263427 [0,1,0,0,0,1|1,0,1]=4 9371 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)F 11a_100000210047_100016263427 [0,1,0,0,0,1|1,0,1]=4 9372 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)F 1626a_100000210047_100016263427 [0,1,0,0,0,1|1,0,1]=4 9373 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)F 22a_100000210047_100016263427 [0,1,0,0,0,1|1,0,1]=4 9374 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)I 11a_100000211102_100016263427 [0,1,0,0,0,1|1,0,1]=4 9375 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)I 1626a_100000211102_100016263427 [0,1,0,0,0,1|1,0,1]=4 9376 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)I 22a_100000211102_100016263427 [0,1,0,0,0,1|1,0,1]=4 9377 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)O 1626a_100000210217_100016263427 [0,1,0,0,0,1|1,0,1]=4 9378 B17R1.745 CCCCCC=CC(=O)Nc1cccc(c1)O 22a_100000210217_100016263427 [0,1,0,0,0,1|1,0,1]=4 9379 B17R1.745 CCCCCCCC(=O)Cc1cc(ccn1)Br 1458a_100000211969_100010173614 [0,1,0,0,0,1|2,0,0]=4 9380 B17R1.745 CCCCCCCC(=O)Cc1cc(ccn1)C 1458a_100000211969_100000718516 [0,1,0,0,0,1|2,0,0]=4 9381 B17R1.745 CCCCCCCC(=O)Cc1cc(ccn1)Cl 1458a_100000211969_100016988179 [0,1,0,0,0,1|2,0,0]=4 9382 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)Br 1458a_100000211969_100000211773 [0,1,0,0,0,1|1,0,0]=3 9383 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210614 [0,1,0,0,0,1|1,0,0]=3 9384 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)C 1458a_100000211969_100000211840 [0,1,0,0,0,1|1,0,0]=3 9385 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210614 [0,1,0,0,0,1|1,0,0]=3 9386 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)Cl 1458a_100000211969_100000181238 [0,1,0,0,0,1|1,0,0]=3 9387 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210614 [0,1,0,0,0,1|1,0,0]=3 9388 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210614 [0,1,0,0,0,1|1,0,0]=3 9389 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)F 1458a_100000211969_100000230114 [0,1,0,0,0,1|1,0,0]=3 9390 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)I 1458a_100000211969_100011218688 [0,1,0,0,0,1|1,0,0]=3 9391 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210614 [0,1,0,0,0,1|1,0,0]=3 9392 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)O 1458a_100000211969_100011660834 [0,1,0,0,0,1|1,0,0]=3 9393 B17R1.745 CCCCCCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210614 [0,1,0,0,0,1|1,0,0]=3 9394 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)Br 1458a_100000211969_100009889011 [0,1,0,0,0,1|2,0,0]=4 9395 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)Br 1458a_100010201708_100000210614 [0,1,0,0,0,1|2,0,0]=4 9396 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)C 1458a_100000211969_100000757606 [0,1,0,0,0,1|2,0,0]=4 9397 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210614 [0,1,0,0,0,1|2,0,0]=4 9398 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)Cl 1458a_100000090259_100000210614 [0,1,0,0,0,1|2,0,0]=4 9399 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)Cl 1458a_100000211969_100000086093 [0,1,0,0,0,1|2,0,0]=4 9400 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)F 1458a_100000096803_100000210614 [0,1,0,0,0,1|2,0,0]=4 9401 B17R1.745 CCCCCCCC(=O)Cc1cccc(n1)F 1458a_100000211969_100009819644 [0,1,0,0,0,1|2,0,0]=4 9402 B17R1.745 CCCCCCCC(=O)Cc1ccnc(c1)Br 1458a_100000211969_100010243470 [0,1,0,0,0,1|2,0,0]=4 9403 B17R1.745 CCCCCCCC(=O)Cc1ccnc(c1)Br 1458a_100010126891_100000210614 [0,1,0,0,0,1|2,0,0]=4 9404 B17R1.745 CCCCCCCC(=O)Cc1ccnc(c1)C 1458a_100000211969_200020672517 [0,1,0,0,0,1|2,0,0]=4 9405 B17R1.745 CCCCCCCC(=O)Cc1ccnc(c1)Cl 1458a_100000211969_100000764220 [0,1,0,0,0,1|2,0,0]=4 9406 B17R1.745 CCCCCCCC(=O)Cc1cncc(c1)Br 1458a_100000211969_100011740620 [0,1,0,0,0,1|2,0,0]=4 9407 B17R1.745 CCCCCCCC(=O)Cc1cncc(c1)Br 1458a_100000239331_100000210614 [0,1,0,0,0,1|2,0,0]=4 9408 B17R1.745 CCCCCCCC(=O)Cc1cncc(c1)C 1458a_100000211969_100000716715 [0,1,0,0,0,1|2,0,0]=4 9409 B17R1.745 CCCCCCCC(=O)Cc1cncc(c1)Cl 1458a_100000211969_100016992070 [0,1,0,0,0,1|2,0,0]=4 9410 B17R1.745 CCCCCCCC(=O)Cc1cncc(c1)F 1458a_100000211969_100000725299 [0,1,0,0,0,1|2,0,0]=4 9411 B17R1.745 CCCCCCCC(=O)Cc1cncc(c1)F 1458a_100011667516_100000210614 [0,1,0,0,0,1|2,0,0]=4 9412 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100000211969 [0,1,0,0,0,1|1,0,0]=3 9413 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100000211969 [0,1,0,0,0,1|1,0,0]=3 9414 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100000211969 [0,1,0,0,0,1|1,0,0]=3 9415 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100000211969 [0,1,0,0,0,1|1,0,0]=3 9416 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)C 11a_100000188690_100000211969 [0,1,0,0,0,1|1,0,0]=3 9417 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000211969 [0,1,0,0,0,1|1,0,0]=3 9418 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)C 22a_100000188690_100000211969 [0,1,0,0,0,1|1,0,0]=3 9419 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)C 527a_100000188690_100000211969 [0,1,0,0,0,1|1,0,0]=3 9420 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100000211969 [0,1,0,0,0,1|1,0,0]=3 9421 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000211969 [0,1,0,0,0,1|1,0,0]=3 9422 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000211969 [0,1,0,0,0,1|1,0,0]=3 9423 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)F 11a_100000210047_100000211969 [0,1,0,0,0,1|1,0,0]=3 9424 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100000211969 [0,1,0,0,0,1|1,0,0]=3 9425 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)F 22a_100000210047_100000211969 [0,1,0,0,0,1|1,0,0]=3 9426 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)F 527a_100000210047_100000211969 [0,1,0,0,0,1|1,0,0]=3 9427 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)I 11a_100000211102_100000211969 [0,1,0,0,0,1|1,0,0]=3 9428 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100000211969 [0,1,0,0,0,1|1,0,0]=3 9429 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)I 22a_100000211102_100000211969 [0,1,0,0,0,1|1,0,0]=3 9430 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)I 527a_100000211102_100000211969 [0,1,0,0,0,1|1,0,0]=3 9431 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100000211969 [0,1,0,0,0,1|1,0,0]=3 9432 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)O 22a_100000210217_100000211969 [0,1,0,0,0,1|1,0,0]=3 9433 B17R1.745 CCCCCCCC(=O)Nc1cccc(c1)O 527a_100000210217_100000211969 [0,1,0,0,0,1|1,0,0]=3 9434 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Br 11a_100000210581_100000747190 [0,1,0,0,0,1|1,0,0]=3 9435 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Br 240690a_100000210581_100000747190 [0,1,0,0,0,1|1,0,0]=3 9436 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Br 527a_100000210581_100000747190 [0,1,0,0,0,1|1,0,0]=3 9437 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)C 11a_100000210581_100011206899 [0,1,0,0,0,1|1,0,0]=3 9438 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)C 1626a_100000210581_100011206899 [0,1,0,0,0,1|1,0,0]=3 9439 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)C 240690a_100000210581_100011206899 [0,1,0,0,0,1|1,0,0]=3 9440 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)C 527a_100000210581_100011206899 [0,1,0,0,0,1|1,0,0]=3 9441 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Cl 11a_100000210581_100000749307 [0,1,0,0,0,1|1,0,0]=3 9442 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Cl 1626a_100000210581_100000749307 [0,1,0,0,0,1|1,0,0]=3 9443 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Cl 240690a_100000210581_100000749307 [0,1,0,0,0,1|1,0,0]=3 9444 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)Cl 527a_100000210581_100000749307 [0,1,0,0,0,1|1,0,0]=3 9445 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)F 11a_100000210581_100000211661 [0,1,0,0,0,1|1,0,0]=3 9446 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)F 1626a_100000210581_100000211661 [0,1,0,0,0,1|1,0,0]=3 9447 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)F 240690a_100000210581_100000211661 [0,1,0,0,0,1|1,0,0]=3 9448 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)F 527a_100000210581_100000211661 [0,1,0,0,0,1|1,0,0]=3 9449 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)I 11a_100000210581_100000238430 [0,1,0,0,0,1|1,0,0]=3 9450 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)I 1626a_100000210581_100000238430 [0,1,0,0,0,1|1,0,0]=3 9451 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)I 240690a_100000210581_100000238430 [0,1,0,0,0,1|1,0,0]=3 9452 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)I 527a_100000210581_100000238430 [0,1,0,0,0,1|1,0,0]=3 9453 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)O 240690a_100000210581_100000745134 [0,1,0,0,0,1|1,0,0]=3 9454 B17R1.745 CCCCCCNC(=O)Cc1cccc(c1)O 527a_100000210581_100000745134 [0,1,0,0,0,1|1,0,0]=3 9455 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Br 11a_100000210581_100010201708 [0,1,0,0,0,1|2,0,0]=4 9456 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Br 240690a_100000210581_100010201708 [0,1,0,0,0,1|2,0,0]=4 9457 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Br 527a_100000210581_100010201708 [0,1,0,0,0,1|2,0,0]=4 9458 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)C 11a_100000210581_100012001110 [0,1,0,0,0,1|2,0,0]=4 9459 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)C 1626a_100000210581_100012001110 [0,1,0,0,0,1|2,0,0]=4 9460 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)C 240690a_100000210581_100012001110 [0,1,0,0,0,1|2,0,0]=4 9461 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)C 527a_100000210581_100012001110 [0,1,0,0,0,1|2,0,0]=4 9462 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Cl 11a_100000210581_100000090259 [0,1,0,0,0,1|2,0,0]=4 9463 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Cl 1626a_100000210581_100000090259 [0,1,0,0,0,1|2,0,0]=4 9464 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)Cl 240690a_100000210581_100000090259 [0,1,0,0,0,1|2,0,0]=4 9465 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)F 11a_100000210581_100000096803 [0,1,0,0,0,1|2,0,0]=4 9466 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)F 1626a_100000210581_100000096803 [0,1,0,0,0,1|2,0,0]=4 9467 B17R1.745 CCCCCCNC(=O)Cc1cccc(n1)F 240690a_100000210581_100000096803 [0,1,0,0,0,1|2,0,0]=4 9468 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Br 11a_100000210581_100010126891 [0,1,0,0,0,1|2,0,0]=4 9469 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Br 240690a_100000210581_100010126891 [0,1,0,0,0,1|2,0,0]=4 9470 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Br 527a_100000210581_100010126891 [0,1,0,0,0,1|2,0,0]=4 9471 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Cl 11a_100000210581_100000085289 [0,1,0,0,0,1|2,0,0]=4 9472 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Cl 1626a_100000210581_100000085289 [0,1,0,0,0,1|2,0,0]=4 9473 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Cl 240690a_100000210581_100000085289 [0,1,0,0,0,1|2,0,0]=4 9474 B17R1.745 CCCCCCNC(=O)Cc1ccnc(c1)Cl 527a_100000210581_100000085289 [0,1,0,0,0,1|2,0,0]=4 9475 B17R1.745 CCCCCCNC(=O)Cc1cncc(c1)Br 11a_100000210581_100000239331 [0,1,0,0,0,1|2,0,0]=4 9476 B17R1.745 CCCCCCNC(=O)Cc1cncc(c1)Br 240690a_100000210581_100000239331 [0,1,0,0,0,1|2,0,0]=4 9477 B17R1.745 CCCCCCNC(=O)Cc1cncc(c1)Br 527a_100000210581_100000239331 [0,1,0,0,0,1|2,0,0]=4 9478 B17R1.745 CCCCCCNC(=O)Cc1cncc(c1)F 11a_100000210581_100011667516 [0,1,0,0,0,1|2,0,0]=4 9479 B17R1.745 CCCCCCNC(=O)Cc1cncc(c1)F 240690a_100000210581_100011667516 [0,1,0,0,0,1|2,0,0]=4 9480 B17R1.745 CCCCCCNC(=O)Cc1cncc(c1)F 527a_100000210581_100011667516 [0,1,0,0,0,1|2,0,0]=4 9481 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000210581 [0,1,0,0,0,1|1,0,0]=3 9482 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000210581 [0,1,0,0,0,1|1,0,0]=3 9483 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100000210581 [0,1,0,0,0,1|1,0,0]=3 9484 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100000210581 [0,1,0,0,0,1|1,0,0]=3 9485 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000210581 [0,1,0,0,0,1|1,0,0]=3 9486 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000210581 [0,1,0,0,0,1|1,0,0]=3 9487 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000210581 [0,1,0,0,0,1|1,0,0]=3 9488 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000210581 [0,1,0,0,0,1|1,0,0]=3 9489 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000210581 [0,1,0,0,0,1|1,0,0]=3 9490 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000210581 [0,1,0,0,0,1|1,0,0]=3 9491 B17R1.745 CCCCCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000210581 [0,1,0,0,0,1|1,0,0]=3 9492 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)Br 2230a_100000209983_100000183509 [0,1,0,0,0,1|2,0,0]=4 9493 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)C 2230a_100000209983_100000182861 [0,1,0,0,0,1|2,0,0]=4 9494 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)Cl 2230a_100000209983_100000182995 [0,1,0,0,0,1|2,0,0]=4 9495 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)Cl 2230a_100102560372_100000210326 [0,1,0,0,0,1|2,0,0]=4 9496 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)F 2230a_100000168492_100000210326 [0,1,0,0,0,1|2,0,0]=4 9497 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)F 2230a_100000209983_100000183335 [0,1,0,0,0,1|2,0,0]=4 9498 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)F 34a_100000168492_100000718602 [0,1,0,0,0,1|2,0,0]=4 9499 B17R1.745 CCCCCNCC(=O)Nc1cccc(c1)O 2230a_100000209983_100011236192 [0,1,0,0,0,1|2,0,0]=4 9500 B17R1.745 CCCCCNNC(=O)Cc1cccc(c1)Br 22a_100000694160_100000747190 [0,1,0,0,0,1|2,0,0]=4 9501 B17R1.745 CCCCCNNC(=O)Cc1cccc(c1)C 22a_100000694160_100011206899 [0,1,0,0,0,1|2,0,0]=4 9502 B17R1.745 CCCCCNNC(=O)Cc1cccc(c1)Cl 22a_100000694160_100000749307 [0,1,0,0,0,1|2,0,0]=4 9503 B17R1.745 CCCCCNNC(=O)Cc1cccc(c1)F 22a_100000694160_100000211661 [0,1,0,0,0,1|2,0,0]=4 9504 B17R1.745 CCCCCNNC(=O)Cc1cccc(c1)I 22a_100000694160_100000238430 [0,1,0,0,0,1|2,0,0]=4 9505 B17R1.745 CCCCCNNC(=O)Cc1cccc(c1)O 22a_100000694160_100000745134 [0,1,0,0,0,1|2,0,0]=4 9506 B17R1.745 CCCCCNNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000694160 [0,1,0,0,0,1|2,0,0]=4 9507 B17R1.745 CCCCCNNC(=O)Nc1cccc(c1)C 512a_100000188690_100000694160 [0,1,0,0,0,1|2,0,0]=4 9508 B17R1.745 CCCCCNNC(=O)Nc1cccc(c1)F 512a_100000210047_100000694160 [0,1,0,0,0,1|2,0,0]=4 9509 B17R1.745 CCCCCNNC(=O)Nc1cccc(c1)I 512a_100000211102_100000694160 [0,1,0,0,0,1|2,0,0]=4 9510 B17R1.745 CCCCCNNC(=O)Nc1cccc(c1)O 512a_100000210217_100000694160 [0,1,0,0,0,1|2,0,0]=4 9511 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)Br 34a_100000210253_100000183509 [0,1,0,0,0,1|2,0,0]=4 9512 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)Br 7a_100000210253_100000183509 [0,1,0,0,0,1|2,0,0]=4 9513 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)C 34a_100000210253_100000182861 [0,1,0,0,0,1|2,0,0]=4 9514 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)C 34a_100000749660_100000718602 [0,1,0,0,0,1|2,0,0]=4 9515 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)C 7a_100000210253_100000182861 [0,1,0,0,0,1|2,0,0]=4 9516 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)Cl 34a_100000210253_100000182995 [0,1,0,0,0,1|2,0,0]=4 9517 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)Cl 7a_100000210253_100000182995 [0,1,0,0,0,1|2,0,0]=4 9518 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)F 34a_100000210253_100000183335 [0,1,0,0,0,1|2,0,0]=4 9519 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)F 7a_100000210253_100000183335 [0,1,0,0,0,1|2,0,0]=4 9520 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)O 34a_100000210253_100011236192 [0,1,0,0,0,1|2,0,0]=4 9521 B17R1.745 CCCCCOCC(=O)Nc1cccc(c1)O 7a_100000210253_100011236192 [0,1,0,0,0,1|2,0,0]=4 9522 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)Br 62a_100000183509_100000210326 [0,1,0,0,0,1|2,0,0]=4 9523 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)Br 62a_100000210326_100000183509 [0,1,0,0,0,1|2,0,0]=4 9524 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)C 62a_100000210326_100000182861 [0,1,0,0,0,1|2,0,0]=4 9525 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)C 62a_100000243722_100000210326 [0,1,0,0,0,1|2,0,0]=4 9526 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)Cl 62a_100000210326_100000182995 [0,1,0,0,0,1|2,0,0]=4 9527 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)F 62a_100000183335_100000210326 [0,1,0,0,0,1|2,0,0]=4 9528 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)F 62a_100000210326_100000183335 [0,1,0,0,0,1|2,0,0]=4 9529 B17R1.745 CCCCCSCC(=O)Nc1cccc(c1)O 62a_100000210326_100011236192 [0,1,0,0,0,1|2,0,0]=4 9530 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)C 2230a_100000102301_100011194834 [0,1,0,0,0,1|2,0,0]=4 9531 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)C 2230a_200015186421_100000210211 [0,1,0,0,0,1|2,0,0]=4 9532 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)C 34a_200015186421_100000210210 [0,1,0,0,0,1|2,0,0]=4 9533 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)C 7a_106832991798_100011194834 [0,1,0,0,0,1|2,0,0]=4 9534 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)Cl 2230a_100000102301_100000242061 [0,1,0,0,0,1|2,0,0]=4 9535 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)Cl 7a_106832991798_100000242061 [0,1,0,0,0,1|2,0,0]=4 9536 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)F 2230a_100000102301_100000242062 [0,1,0,0,0,1|2,0,0]=4 9537 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)F 2230a_100015185233_100000210211 [0,1,0,0,0,1|2,0,0]=4 9538 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)F 34a_100015185233_100000210210 [0,1,0,0,0,1|2,0,0]=4 9539 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)F 7a_106832991798_100000242062 [0,1,0,0,0,1|2,0,0]=4 9540 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)O 2230a_100000102301_200011436826 [0,1,0,0,0,1|2,0,0]=4 9541 B17R1.745 CCCCNCCC(=O)Nc1cccc(c1)O 7a_106832991798_200011436826 [0,1,0,0,0,1|2,0,0]=4 9542 B17R1.745 CCCCOCCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000743108 [0,1,0,0,0,1|2,0,0]=4 9543 B17R1.745 CCCCOCCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000743108 [0,1,0,0,0,1|2,0,0]=4 9544 B17R1.745 CCCCOCCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000743108 [0,1,0,0,0,1|2,0,0]=4 9545 B17R1.745 CCCCOCCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000743108 [0,1,0,0,0,1|2,0,0]=4 9546 B17R1.745 CCCCOCCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000743108 [0,1,0,0,0,1|2,0,0]=4 9547 B17R1.745 CCCCOCCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000743108 [0,1,0,0,0,1|2,0,0]=4 9548 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)C 34a_100000210227_100011194834 [0,1,0,0,0,1|2,0,0]=4 9549 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)C 7a_100000210227_100011194834 [0,1,0,0,0,1|2,0,0]=4 9550 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)Cl 34a_100000210227_100000242061 [0,1,0,0,0,1|2,0,0]=4 9551 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)Cl 7a_100000210227_100000242061 [0,1,0,0,0,1|2,0,0]=4 9552 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)F 34a_100000210227_100000242062 [0,1,0,0,0,1|2,0,0]=4 9553 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)F 7a_100000210227_100000242062 [0,1,0,0,0,1|2,0,0]=4 9554 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)O 34a_100000210227_200011436826 [0,1,0,0,0,1|2,0,0]=4 9555 B17R1.745 CCCCOCCC(=O)Nc1cccc(c1)O 7a_100000210227_200011436826 [0,1,0,0,0,1|2,0,0]=4 9556 B17R1.745 CCCCSCCC(=O)Nc1cccc(c1)C 62a_100000210211_100011194834 [0,1,0,0,0,1|2,0,0]=4 9557 B17R1.745 CCCCSCCC(=O)Nc1cccc(c1)Cl 62a_100000210211_100000242061 [0,1,0,0,0,1|2,0,0]=4 9558 B17R1.745 CCCCSCCC(=O)Nc1cccc(c1)F 62a_100000210211_100000242062 [0,1,0,0,0,1|2,0,0]=4 9559 B17R1.745 CCCCSCCC(=O)Nc1cccc(c1)O 62a_100000210211_200011436826 [0,1,0,0,0,1|2,0,0]=4 9560 B17R1.745 CCCNCCCC(=O)Nc1cccc(c1)Cl 2230a_114873766722_100000210303 [0,1,0,0,0,1|2,0,0]=4 9561 B17R1.745 CCCNCCCC(=O)Nc1cccc(c1)Cl 34a_114873766722_100000210303 [0,1,0,0,0,1|2,0,0]=4 9562 B17R1.745 CCCNCCNC(=O)Cc1cccc(c1)F 2230a_106430523477_100000210303 [0,1,0,0,0,1|2,0,0]=4 9563 B17R1.745 CCCNCCNC(=O)Cc1cccc(c1)F 34a_106430523477_100000210303 [0,1,0,0,0,1|2,0,0]=4 9564 B17R1.745 CCCOCCCC(=O)Nc1cccc(c1)C 34a_100000210258_100000184976 [0,1,0,0,0,1|2,0,0]=4 9565 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)Br 240690a_100161115042_100000747190 [0,1,0,0,0,1|2,0,0]=4 9566 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)Br 527a_100161115042_100000747190 [0,1,0,0,0,1|2,0,0]=4 9567 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)C 1626a_100161115042_100011206899 [0,1,0,0,0,1|2,0,0]=4 9568 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)C 240690a_100161115042_100011206899 [0,1,0,0,0,1|2,0,0]=4 9569 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)C 527a_100161115042_100011206899 [0,1,0,0,0,1|2,0,0]=4 9570 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)Cl 1626a_100161115042_100000749307 [0,1,0,0,0,1|2,0,0]=4 9571 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)Cl 240690a_100161115042_100000749307 [0,1,0,0,0,1|2,0,0]=4 9572 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)Cl 527a_100161115042_100000749307 [0,1,0,0,0,1|2,0,0]=4 9573 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)F 1626a_100161115042_100000211661 [0,1,0,0,0,1|2,0,0]=4 9574 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)F 240690a_100161115042_100000211661 [0,1,0,0,0,1|2,0,0]=4 9575 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)F 527a_100161115042_100000211661 [0,1,0,0,0,1|2,0,0]=4 9576 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)I 1626a_100161115042_100000238430 [0,1,0,0,0,1|2,0,0]=4 9577 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)I 240690a_100161115042_100000238430 [0,1,0,0,0,1|2,0,0]=4 9578 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)I 527a_100161115042_100000238430 [0,1,0,0,0,1|2,0,0]=4 9579 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)O 240690a_100161115042_100000745134 [0,1,0,0,0,1|2,0,0]=4 9580 B17R1.745 CCCOCCNC(=O)Cc1cccc(c1)O 527a_100161115042_100000745134 [0,1,0,0,0,1|2,0,0]=4 9581 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100161115042 [0,1,0,0,0,1|2,0,0]=4 9582 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100161115042 [0,1,0,0,0,1|2,0,0]=4 9583 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100161115042 [0,1,0,0,0,1|2,0,0]=4 9584 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100161115042 [0,1,0,0,0,1|2,0,0]=4 9585 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100161115042 [0,1,0,0,0,1|2,0,0]=4 9586 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100161115042 [0,1,0,0,0,1|2,0,0]=4 9587 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100161115042 [0,1,0,0,0,1|2,0,0]=4 9588 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100161115042 [0,1,0,0,0,1|2,0,0]=4 9589 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100161115042 [0,1,0,0,0,1|2,0,0]=4 9590 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100161115042 [0,1,0,0,0,1|2,0,0]=4 9591 B17R1.745 CCCOCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100161115042 [0,1,0,0,0,1|2,0,0]=4 9592 B17R1.745 CCCOCCOC(=O)Nc1cccc(c1)Br 34a_100000210258_100015757870 [0,1,0,0,0,1|1,0,0]=3 9593 B17R1.745 CCCSCCCC(=O)Nc1cccc(c1)C 62a_100000210303_100000184976 [0,1,0,0,0,1|2,0,0]=4 9594 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)Br 11a_100020603323_100000747190 [0,1,0,0,0,1|2,0,0]=4 9595 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)Br 240690a_100020603323_100000747190 [0,1,0,0,0,1|2,0,0]=4 9596 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)Br 527a_100020603323_100000747190 [0,1,0,0,0,1|2,0,0]=4 9597 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)C 11a_100020603323_100011206899 [0,1,0,0,0,1|2,0,0]=4 9598 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)C 240690a_100020603323_100011206899 [0,1,0,0,0,1|2,0,0]=4 9599 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)C 527a_100020603323_100011206899 [0,1,0,0,0,1|2,0,0]=4 9600 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)Cl 11a_100020603323_100000749307 [0,1,0,0,0,1|2,0,0]=4 9601 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)Cl 240690a_100020603323_100000749307 [0,1,0,0,0,1|2,0,0]=4 9602 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)Cl 527a_100020603323_100000749307 [0,1,0,0,0,1|2,0,0]=4 9603 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)F 11a_100020603323_100000211661 [0,1,0,0,0,1|2,0,0]=4 9604 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)F 240690a_100020603323_100000211661 [0,1,0,0,0,1|2,0,0]=4 9605 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)F 527a_100020603323_100000211661 [0,1,0,0,0,1|2,0,0]=4 9606 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)I 11a_100020603323_100000238430 [0,1,0,0,0,1|2,0,0]=4 9607 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)I 240690a_100020603323_100000238430 [0,1,0,0,0,1|2,0,0]=4 9608 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)I 527a_100020603323_100000238430 [0,1,0,0,0,1|2,0,0]=4 9609 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)O 240690a_100020603323_100000745134 [0,1,0,0,0,1|2,0,0]=4 9610 B17R1.745 CCCSCCNC(=O)Cc1cccc(c1)O 527a_100020603323_100000745134 [0,1,0,0,0,1|2,0,0]=4 9611 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100020603323 [0,1,0,0,0,1|2,0,0]=4 9612 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100020603323 [0,1,0,0,0,1|2,0,0]=4 9613 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100020603323 [0,1,0,0,0,1|2,0,0]=4 9614 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100020603323 [0,1,0,0,0,1|2,0,0]=4 9615 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100020603323 [0,1,0,0,0,1|2,0,0]=4 9616 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100020603323 [0,1,0,0,0,1|2,0,0]=4 9617 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100020603323 [0,1,0,0,0,1|2,0,0]=4 9618 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)F 62a_100000210303_100000163364 [0,1,0,0,0,1|2,0,0]=4 9619 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100020603323 [0,1,0,0,0,1|2,0,0]=4 9620 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100020603323 [0,1,0,0,0,1|2,0,0]=4 9621 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100020603323 [0,1,0,0,0,1|2,0,0]=4 9622 B17R1.745 CCCSCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100020603323 [0,1,0,0,0,1|2,0,0]=4 9623 B17R1.745 CCCSCCOC(=O)Nc1cccc(c1)Br 62a_100000210303_100015757870 [0,1,0,0,0,1|1,0,0]=3 9624 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Br 11a_100000210961_100000747190 [0,1,0,0,0,1|2,0,0]=4 9625 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Br 240690a_100000210961_100000747190 [0,1,0,0,0,1|2,0,0]=4 9626 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Br 527a_100000210961_100000747190 [0,1,0,0,0,1|2,0,0]=4 9627 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)C 11a_100000210961_100011206899 [0,1,0,0,0,1|2,0,0]=4 9628 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)C 1626a_100000210961_100011206899 [0,1,0,0,0,1|2,0,0]=4 9629 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)C 240690a_100000210961_100011206899 [0,1,0,0,0,1|2,0,0]=4 9630 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)C 527a_100000210961_100011206899 [0,1,0,0,0,1|2,0,0]=4 9631 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Cl 11a_100000210961_100000749307 [0,1,0,0,0,1|2,0,0]=4 9632 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Cl 1626a_100000210961_100000749307 [0,1,0,0,0,1|2,0,0]=4 9633 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Cl 240690a_100000210961_100000749307 [0,1,0,0,0,1|2,0,0]=4 9634 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)Cl 527a_100000210961_100000749307 [0,1,0,0,0,1|2,0,0]=4 9635 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)F 11a_100000210961_100000211661 [0,1,0,0,0,1|2,0,0]=4 9636 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)F 1626a_100000210961_100000211661 [0,1,0,0,0,1|2,0,0]=4 9637 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)F 240690a_100000210961_100000211661 [0,1,0,0,0,1|2,0,0]=4 9638 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)F 527a_100000210961_100000211661 [0,1,0,0,0,1|2,0,0]=4 9639 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)I 11a_100000210961_100000238430 [0,1,0,0,0,1|2,0,0]=4 9640 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)I 1626a_100000210961_100000238430 [0,1,0,0,0,1|2,0,0]=4 9641 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)I 240690a_100000210961_100000238430 [0,1,0,0,0,1|2,0,0]=4 9642 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)I 527a_100000210961_100000238430 [0,1,0,0,0,1|2,0,0]=4 9643 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)O 240690a_100000210961_100000745134 [0,1,0,0,0,1|2,0,0]=4 9644 B17R1.745 CCOCCCNC(=O)Cc1cccc(c1)O 527a_100000210961_100000745134 [0,1,0,0,0,1|2,0,0]=4 9645 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100000210961 [0,1,0,0,0,1|2,0,0]=4 9646 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)Br 512a_100000210019_100000210961 [0,1,0,0,0,1|2,0,0]=4 9647 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)C 2430a_100000188690_100000210961 [0,1,0,0,0,1|2,0,0]=4 9648 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)C 512a_100000188690_100000210961 [0,1,0,0,0,1|2,0,0]=4 9649 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100000210961 [0,1,0,0,0,1|2,0,0]=4 9650 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)F 2430a_100000210047_100000210961 [0,1,0,0,0,1|2,0,0]=4 9651 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)F 512a_100000210047_100000210961 [0,1,0,0,0,1|2,0,0]=4 9652 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)I 2430a_100000211102_100000210961 [0,1,0,0,0,1|2,0,0]=4 9653 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)I 512a_100000211102_100000210961 [0,1,0,0,0,1|2,0,0]=4 9654 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)O 2430a_100000210217_100000210961 [0,1,0,0,0,1|2,0,0]=4 9655 B17R1.745 CCOCCCNC(=O)Nc1cccc(c1)O 512a_100000210217_100000210961 [0,1,0,0,0,1|2,0,0]=4 9656 B17R1.745 COCCCCCC(=O)Cc1cccc(c1)Br 1458a_100011935119_100000211773 [0,1,0,0,0,1|2,0,0]=4 9657 B17R1.745 COCCCCCC(=O)Cc1cccc(c1)C 1458a_100011935119_100000211840 [0,1,0,0,0,1|2,0,0]=4 9658 B17R1.745 COCCCCCC(=O)Cc1cccc(c1)Cl 1458a_100011935119_100000181238 [0,1,0,0,0,1|2,0,0]=4 9659 B17R1.745 COCCCCCC(=O)Cc1cccc(c1)F 1458a_100011935119_100000230114 [0,1,0,0,0,1|2,0,0]=4 9660 B17R1.745 COCCCCCC(=O)Cc1cccc(c1)I 1458a_100011935119_100011218688 [0,1,0,0,0,1|2,0,0]=4 9661 B17R1.745 COCCCCCC(=O)Cc1cccc(c1)O 1458a_100011935119_100011660834 [0,1,0,0,0,1|2,0,0]=4 9662 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Br 11a_100000210019_100011935119 [0,1,0,0,0,1|2,0,0]=4 9663 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Br 1626a_100000210019_100011935119 [0,1,0,0,0,1|2,0,0]=4 9664 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Br 22a_100000210019_100011935119 [0,1,0,0,0,1|2,0,0]=4 9665 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Br 527a_100000210019_100011935119 [0,1,0,0,0,1|2,0,0]=4 9666 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)C 11a_100000188690_100011935119 [0,1,0,0,0,1|2,0,0]=4 9667 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)C 1626a_100000188690_100011935119 [0,1,0,0,0,1|2,0,0]=4 9668 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)C 22a_100000188690_100011935119 [0,1,0,0,0,1|2,0,0]=4 9669 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)C 527a_100000188690_100011935119 [0,1,0,0,0,1|2,0,0]=4 9670 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Cl 11a_100000185859_100011935119 [0,1,0,0,0,1|2,0,0]=4 9671 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100011935119 [0,1,0,0,0,1|2,0,0]=4 9672 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)Cl 22a_100000185859_100011935119 [0,1,0,0,0,1|2,0,0]=4 9673 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)F 11a_100000210047_100011935119 [0,1,0,0,0,1|2,0,0]=4 9674 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)F 1626a_100000210047_100011935119 [0,1,0,0,0,1|2,0,0]=4 9675 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)F 22a_100000210047_100011935119 [0,1,0,0,0,1|2,0,0]=4 9676 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)F 527a_100000210047_100011935119 [0,1,0,0,0,1|2,0,0]=4 9677 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)I 11a_100000211102_100011935119 [0,1,0,0,0,1|2,0,0]=4 9678 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)I 1626a_100000211102_100011935119 [0,1,0,0,0,1|2,0,0]=4 9679 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)I 22a_100000211102_100011935119 [0,1,0,0,0,1|2,0,0]=4 9680 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)I 527a_100000211102_100011935119 [0,1,0,0,0,1|2,0,0]=4 9681 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)O 1626a_100000210217_100011935119 [0,1,0,0,0,1|2,0,0]=4 9682 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)O 22a_100000210217_100011935119 [0,1,0,0,0,1|2,0,0]=4 9683 B17R1.745 COCCCCCC(=O)Nc1cccc(c1)O 527a_100000210217_100011935119 [0,1,0,0,0,1|2,0,0]=4 9684 B17R1.745 COCSCCOC(=O)Nc1cccc(c1)Br 62a_100000766300_100015757870 [0,1,0,0,0,1|2,0,0]=4 9685 B17R1.745 CSCSCCOC(=O)Nc1cccc(c1)Br 62a_100011218213_100015757870 [0,1,0,0,0,1|2,0,0]=4 9686 B17R1.745 Cc1cccc(c1)CC(=O)CCCCCCF 1458a_100011206899_100015922095 [0,1,0,0,0,1|2,0,0]=4 9687 B17R1.745 Cc1cccc(c1)CC(=O)CCCCCCO 1458a_100011206899_100000766143 [0,1,0,0,0,1|2,0,0]=4 9688 B17R1.745 Cc1cccc(c1)CC(=O)CCCCCCO 1458a_100011996774_100000211840 [0,1,0,0,0,1|2,0,0]=4 9689 B17R1.745 Cc1cccc(c1)CC(=O)NCCCCCO 240690a_100000762737_100011206899 [0,1,0,0,0,1|2,0,0]=4 9690 B17R1.745 Cc1cccc(c1)NC(=O)NCCCCCO 2430a_100000188690_100000762737 [0,1,0,0,0,1|2,0,0]=4 9691 B17R1.745 Cc1cccc(c1)NC(=O)NCCCCCO 512a_100000188690_100000762737 [0,1,0,0,0,1|2,0,0]=4 9692 B17R1.745 NCCOCCOC(=O)Nc1cccc(c1)Br 34a_100000210304_100015757870 [0,1,0,0,0,1|2,0,0]=4 9693 B17R1.745 O=C(CCCCCCF)Cc1cccc(c1)Br 1458a_100000747190_100015922095 [0,1,0,0,0,1|2,0,0]=4 9694 B17R1.745 O=C(CCCCCCF)Cc1cccc(c1)Cl 1458a_100000749307_100015922095 [0,1,0,0,0,1|2,0,0]=4 9695 B17R1.745 O=C(CCCCCCF)Cc1cccc(c1)F 1458a_100000211661_100015922095 [0,1,0,0,0,1|2,0,0]=4 9696 B17R1.745 O=C(CCCCCCF)Cc1cccc(c1)I 1458a_100000238430_100015922095 [0,1,0,0,0,1|2,0,0]=4 9697 B17R1.745 O=C(CCCCCCF)Cc1cccc(c1)O 1458a_100000745134_100015922095 [0,1,0,0,0,1|2,0,0]=4 9698 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)Br 1458a_100000747190_100000766143 [0,1,0,0,0,1|2,0,0]=4 9699 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)Br 1458a_100011996774_100000211773 [0,1,0,0,0,1|2,0,0]=4 9700 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)Cl 1458a_100000749307_100000766143 [0,1,0,0,0,1|2,0,0]=4 9701 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)Cl 1458a_100011996774_100000181238 [0,1,0,0,0,1|2,0,0]=4 9702 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)F 1458a_100000211661_100000766143 [0,1,0,0,0,1|2,0,0]=4 9703 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)F 1458a_100011996774_100000230114 [0,1,0,0,0,1|2,0,0]=4 9704 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)I 1458a_100000238430_100000766143 [0,1,0,0,0,1|2,0,0]=4 9705 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)I 1458a_100011996774_100011218688 [0,1,0,0,0,1|2,0,0]=4 9706 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)O 1458a_100000745134_100000766143 [0,1,0,0,0,1|2,0,0]=4 9707 B17R1.745 O=C(CCCCCCO)Cc1cccc(c1)O 1458a_100011996774_100011660834 [0,1,0,0,0,1|2,0,0]=4 9708 B17R1.745 O=C(Cc1cccc(c1)Br)NCCCCCO 240690a_100000762737_100000747190 [0,1,0,0,0,1|2,0,0]=4 9709 B17R1.745 O=C(Cc1cccc(c1)Cl)NCCCCCO 240690a_100000762737_100000749307 [0,1,0,0,0,1|2,0,0]=4 9710 B17R1.745 O=C(Cc1cccc(c1)F)NCCCCCO 240690a_100000762737_100000211661 [0,1,0,0,0,1|2,0,0]=4 9711 B17R1.745 O=C(Cc1cccc(c1)I)NCCCCCO 240690a_100000762737_100000238430 [0,1,0,0,0,1|2,0,0]=4 9712 B17R1.745 O=C(Cc1cccc(c1)O)NCCCCCO 240690a_100000762737_100000745134 [0,1,0,0,0,1|2,0,0]=4 9713 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)Br 2430a_100000210019_100000762737 [0,1,0,0,0,1|2,0,0]=4 9714 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)Br 512a_100000210019_100000762737 [0,1,0,0,0,1|2,0,0]=4 9715 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)Cl 2430a_100000185859_100000762737 [0,1,0,0,0,1|2,0,0]=4 9716 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)F 2430a_100000210047_100000762737 [0,1,0,0,0,1|2,0,0]=4 9717 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)F 512a_100000210047_100000762737 [0,1,0,0,0,1|2,0,0]=4 9718 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)I 2430a_100000211102_100000762737 [0,1,0,0,0,1|2,0,0]=4 9719 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)I 512a_100000211102_100000762737 [0,1,0,0,0,1|2,0,0]=4 9720 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)O 2430a_100000210217_100000762737 [0,1,0,0,0,1|2,0,0]=4 9721 B17R1.745 O=C(NCCCCCO)Nc1cccc(c1)O 512a_100000210217_100000762737 [0,1,0,0,0,1|2,0,0]=4 9722 B17R1.745 O=C(Nc1cccc(c1)Br)OCCNCCF 34a_100000724931_100015757870 [0,1,0,0,0,1|2,0,0]=4 9723 B17R1.745 O=C(Nc1cccc(c1)Br)OCCNCCO 34a_100016990907_100015757870 [0,1,0,0,0,1|2,0,0]=4 9724 B17R1.745 O=C(Nc1cccc(c1)Br)OCCOCCBr 34a_100000211926_100015757870 [0,1,0,0,0,1|2,0,0]=4 9725 B17R1.745 O=C(Nc1cccc(c1)Br)OCCSCCF 62a_100011217306_100015757870 [0,1,0,0,0,1|2,0,0]=4 9726 B17R1.745 O=C(Nc1cccc(c1)Br)OCCSCCO 62a_100000211926_100015757870 [0,1,0,0,0,1|2,0,0]=4 9727 B17R1.1226 CCC(C)CCCOC(C)Cc1ccccc1 7a_100011216074_200011218536 [0,1,0,0,0,1|1,0,1]=4 9728 B17R1.1226 CCC(C)CCNCC(=O)Cc1ccccc1 2230a_100020591266_100000233483 [0,1,0,0,0,1|2,0,0]=4 9729 B17R1.1226 CCC(C)CCNCC(=O)Nc1ccccc1 2230a_100020591266_100000182850 [0,1,0,0,0,1|2,0,0]=4 9730 B17R1.1226 CCC(C)CCNCC(=O)Oc1ccccc1 2230a_100020591266_100009813826 [0,1,0,0,0,1|2,0,0]=4 9731 B17R1.1226 CCC(C)CCOCC(=O)Cc1ccccc1 7a_100011215188_100000233483 [0,1,0,0,0,1|2,0,0]=4 9732 B17R1.1226 CCC(C)CCOCC(=O)Nc1ccccc1 7a_100011215188_100000182850 [0,1,0,0,0,1|2,0,0]=4 9733 B17R1.1226 CCC(C)CCOCC(=O)Oc1ccccc1 7a_100011215188_100009813826 [0,1,0,0,0,1|2,0,0]=4 9734 B17R1.1226 CCC(C)CNCCC(=O)Nc1ccccc1 2230a_100020588543_100000242058 [0,1,0,0,0,1|2,0,0]=4 9735 B17R1.1226 CCC(C)CNCCC(=O)Oc1ccccc1 2230a_100020588543_200000035796 [0,1,0,0,0,1|2,0,0]=4 9736 B17R1.1226 CCC(C)CSCCC(=O)Nc1ccccc1 62a_100000748023_100000242058 [0,1,0,0,0,1|2,0,0]=4 9737 B17R1.1226 CCC(C)CSCCC(=O)Oc1ccccc1 62a_100000748023_200000035796 [0,1,0,0,0,1|2,0,0]=4 9738 B17R1.1226 CCC(C)NCCCC(=O)Nc1ccccc1 2230a_100000209981_100011194425 [0,1,0,0,0,1|2,0,0]=4 9739 B17R1.1226 CCC(C)NCCCC(=O)Nc1ccccc1 34a_100000750157_100011215416 [0,1,0,0,0,1|2,0,0]=4 9740 B17R1.1226 CCC(C)OCCCC(=O)Nc1ccccc1 7a_100000210228_100011194425 [0,1,0,0,0,1|2,0,0]=4 9741 B17R1.1226 CCC(C)SCCCC(=O)Nc1ccccc1 62a_100000758301_100011194425 [0,1,0,0,0,1|2,0,0]=4 9742 B17R1.1226 CCC(O)CNCCC(=O)Nc1ccccc1 2230a_100011218483_100000242058 [0,1,0,0,0,1|2,0,0]=4 9743 B17R1.1226 CCC(O)CNCCC(=O)Oc1ccccc1 2230a_100011218483_200000035796 [0,1,0,0,0,1|2,0,0]=4 9744 B17R1.1226 CCC(O)CSCCC(=O)Nc1ccccc1 62a_100011218378_100000242058 [0,1,0,0,0,1|2,0,0]=4 9745 B17R1.1226 CCC(O)CSCCC(=O)Oc1ccccc1 62a_100011218378_200000035796 [0,1,0,0,0,1|2,0,0]=4 9746 B17R1.1226 CC[C@H](C)COCCC(=O)Nc1ccccc1 7a_100009816381_100000242058 [0,1,0,0,0,1|2,0,0]=4 9747 B17R1.1226 CC[C@H](C)COCCC(=O)Oc1ccccc1 7a_100009816381_200000035796 [0,1,0,0,0,1|2,0,0]=4 9748 B17R1.1226 CC[C@H](C)CSCCC(=O)Nc1ccccc1 62a_100009816398_100000242058 [0,1,0,0,0,1|2,0,0]=4 9749 B17R1.1226 CC[C@H](C)CSCCC(=O)Oc1ccccc1 62a_100009816398_200000035796 [0,1,0,0,0,1|2,0,0]=4 9750 B17R1.1292 C#CCCCCCCC(=O)Cc1ccccc1 1458a_100000034748_100015291786 [0,1,0,0,0,1|1,0,1]=4 9751 B17R1.1292 C#CCCCCCCC(=O)Nc1ccccc1 11a_100000106764_100000034748 [0,1,0,0,0,1|1,0,1]=4 9752 B17R1.1292 C#CCCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000034748 [0,1,0,0,0,1|1,0,1]=4 9753 B17R1.1292 C#CCCCCCCC(=O)Nc1ccccc1 22a_100000106764_100000034748 [0,1,0,0,0,1|1,0,1]=4 9754 B17R1.1292 C#CCCCCCCC(=O)Nc1ccccc1 527a_100000106764_100000034748 [0,1,0,0,0,1|1,0,1]=4 9755 B17R1.1292 C#CCCCCOCC(=O)Cc1ccccc1 7a_100000766709_100000233483 [0,1,0,0,0,1|0,0,2]=4 9756 B17R1.1292 C#CCCCCOCC(=O)Nc1ccccc1 34a_100000246334_100010269958 [0,1,0,0,0,1|0,0,2]=4 9757 B17R1.1292 C#CCCCCOCC(=O)Nc1ccccc1 34a_100000766709_100000182850 [0,1,0,0,0,1|0,0,2]=4 9758 B17R1.1292 C#CCCCCOCC(=O)Nc1ccccc1 7a_100000766709_100000182850 [0,1,0,0,0,1|0,0,2]=4 9759 B17R1.1292 C#CCCCCOCC(=O)Oc1ccccc1 34a_100000766709_100009813826 [0,1,0,0,0,1|0,0,2]=4 9760 B17R1.1292 C#CCCCCOCC(=O)Oc1ccccc1 7a_100000766709_100009813826 [0,1,0,0,0,1|0,0,2]=4 9761 B17R1.1292 C/C(=C\c1ccccc1)/COCCCCCF 34a_200025717232_100000729378 [0,1,0,0,0,1|2,0,0]=4 9762 B17R1.1292 C/C(=C\c1ccccc1)/COCCCCCF 7a_200025717232_100000729378 [0,1,0,0,0,1|2,0,0]=4 9763 B17R1.1292 C/C(=C\c1ccccc1)/COCCCCCO 34a_200025717232_100000746330 [0,1,0,0,0,1|2,0,0]=4 9764 B17R1.1292 C/C(=C\c1ccccc1)/COCCCCCO 7a_200025717232_100000746330 [0,1,0,0,0,1|2,0,0]=4 9765 B17R1.1292 C=CCCCCCCC(=O)Cc1ccccc1 1458a_100011809334_100015291786 [0,1,0,0,0,1|1,0,1]=4 9766 B17R1.1292 C=CCCCCCCC(=O)Nc1ccccc1 11a_100000106764_100011809334 [0,1,0,0,0,1|1,0,1]=4 9767 B17R1.1292 C=CCCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100011809334 [0,1,0,0,0,1|1,0,1]=4 9768 B17R1.1292 C=CCCCCCCC(=O)Nc1ccccc1 22a_100000106764_100011809334 [0,1,0,0,0,1|1,0,1]=4 9769 B17R1.1292 C=CCCCCCCC(=O)Nc1ccccc1 527a_100000106764_100011809334 [0,1,0,0,0,1|1,0,1]=4 9770 B17R1.1292 C=CCCCCOCC(=O)Cc1ccccc1 7a_100000766645_100000233483 [0,1,0,0,0,1|0,0,2]=4 9771 B17R1.1292 C=CCCCCOCC(=O)Nc1ccccc1 34a_100000246334_100011215482 [0,1,0,0,0,1|0,0,2]=4 9772 B17R1.1292 C=CCCCCOCC(=O)Nc1ccccc1 34a_100000766645_100000182850 [0,1,0,0,0,1|0,0,2]=4 9773 B17R1.1292 C=CCCCCOCC(=O)Nc1ccccc1 7a_100000766645_100000182850 [0,1,0,0,0,1|0,0,2]=4 9774 B17R1.1292 C=CCCCCOCC(=O)Oc1ccccc1 34a_100000766645_100009813826 [0,1,0,0,0,1|0,0,2]=4 9775 B17R1.1292 C=CCCCCOCC(=O)Oc1ccccc1 7a_100000766645_100009813826 [0,1,0,0,0,1|0,0,2]=4 9776 B17R1.1292 CC(Cc1ccccc1)OCCCCCCBr 34a_100011215345_200011218536 [0,1,0,0,0,1|1,0,1]=4 9777 B17R1.1292 CC(Cc1ccccc1)OCCCCCCBr 7a_100011215345_200011218536 [0,1,0,0,0,1|1,0,1]=4 9778 B17R1.1292 CC(Cc1ccccc1)OCCCCCCCl 34a_100000766143_200011218536 [0,1,0,0,0,1|1,0,1]=4 9779 B17R1.1292 CC(Cc1ccccc1)OCCCCCCCl 7a_100000766143_200011218536 [0,1,0,0,0,1|1,0,1]=4 9780 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 34a_100000732779_200011218536 [0,1,0,0,0,1|1,0,1]=4 9781 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 34a_100000748627_100015922095 [0,1,0,0,0,1|1,0,1]=4 9782 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 7a_100000732779_200011218536 [0,1,0,0,0,1|1,0,1]=4 9783 B17R1.1292 CC(Cc1ccccc1)OCCCCCCF 7a_100000748627_100015922095 [0,1,0,0,0,1|1,0,1]=4 9784 B17R1.1292 CC(Cc1ccccc1)OCCCCCCN 34a_100000686447_200011218536 [0,1,0,0,0,1|1,0,1]=4 9785 B17R1.1292 CC(Cc1ccccc1)OCCCCCCO 34a_100000748627_100000766143 [0,1,0,0,0,1|1,0,1]=4 9786 B17R1.1292 CC(Cc1ccccc1)OCCCCCCO 7a_100000748627_100000766143 [0,1,0,0,0,1|1,0,1]=4 9787 B17R1.1292 CC/C=C\CCOCC(=O)Cc1ccccc1 7a_100016288707_100000233483 [0,1,0,0,0,1|0,0,2]=4 9788 B17R1.1292 CC/C=C\CCOCC(=O)Nc1ccccc1 34a_100000246334_100015370543 [0,1,0,0,0,1|0,0,2]=4 9789 B17R1.1292 CC/C=C\CCOCC(=O)Nc1ccccc1 34a_100016288707_100000182850 [0,1,0,0,0,1|0,0,2]=4 9790 B17R1.1292 CC/C=C\CCOCC(=O)Nc1ccccc1 7a_100016288707_100000182850 [0,1,0,0,0,1|0,0,2]=4 9791 B17R1.1292 CC/C=C\CCOCC(=O)Oc1ccccc1 34a_100016288707_100009813826 [0,1,0,0,0,1|0,0,2]=4 9792 B17R1.1292 CC/C=C\CCOCC(=O)Oc1ccccc1 7a_100016288707_100009813826 [0,1,0,0,0,1|0,0,2]=4 9793 B17R1.1292 CC=CCCCOCC(=O)Nc1ccccc1 34a_100020645299_100000182850 [0,1,0,0,0,1|0,0,2]=4 9794 B17R1.1292 CC=CCCCOCC(=O)Oc1ccccc1 34a_100020645299_100009813826 [0,1,0,0,0,1|0,0,2]=4 9795 B17R1.1292 CCC#CCCOCC(=O)Cc1ccccc1 7a_100000036655_100000233483 [0,1,0,0,0,1|0,0,2]=4 9796 B17R1.1292 CCC#CCCOCC(=O)Nc1ccccc1 34a_100000036655_100000182850 [0,1,0,0,0,1|0,0,2]=4 9797 B17R1.1292 CCC#CCCOCC(=O)Nc1ccccc1 7a_100000036655_100000182850 [0,1,0,0,0,1|0,0,2]=4 9798 B17R1.1292 CCC#CCCOCC(=O)Oc1ccccc1 34a_100000036655_100009813826 [0,1,0,0,0,1|0,0,2]=4 9799 B17R1.1292 CCC#CCCOCC(=O)Oc1ccccc1 7a_100000036655_100009813826 [0,1,0,0,0,1|0,0,2]=4 9800 B17R1.1292 CCC/C=C/COCC(=O)Cc1ccccc1 7a_100016278788_100000233483 [0,1,0,0,0,1|0,0,2]=4 9801 B17R1.1292 CCC/C=C/COCC(=O)Nc1ccccc1 34a_100016278788_100000182850 [0,1,0,0,0,1|0,0,2]=4 9802 B17R1.1292 CCC/C=C/COCC(=O)Nc1ccccc1 7a_100016278788_100000182850 [0,1,0,0,0,1|0,0,2]=4 9803 B17R1.1292 CCC/C=C/COCC(=O)Oc1ccccc1 34a_100016278788_100009813826 [0,1,0,0,0,1|0,0,2]=4 9804 B17R1.1292 CCC/C=C/COCC(=O)Oc1ccccc1 7a_100016278788_100009813826 [0,1,0,0,0,1|0,0,2]=4 9805 B17R1.1292 CCCC#CCOCC(=O)Cc1ccccc1 7a_100000034806_100000233483 [0,1,0,0,0,1|0,0,2]=4 9806 B17R1.1292 CCCC#CCOCC(=O)Nc1ccccc1 34a_100000034806_100000182850 [0,1,0,0,0,1|0,0,2]=4 9807 B17R1.1292 CCCC#CCOCC(=O)Nc1ccccc1 7a_100000034806_100000182850 [0,1,0,0,0,1|0,0,2]=4 9808 B17R1.1292 CCCC#CCOCC(=O)Oc1ccccc1 34a_100000034806_100009813826 [0,1,0,0,0,1|0,0,2]=4 9809 B17R1.1292 CCCC#CCOCC(=O)Oc1ccccc1 7a_100000034806_100009813826 [0,1,0,0,0,1|0,0,2]=4 9810 B17R1.1292 CCCCC/C=C/CC(=O)Cc1ccccc1 1458a_100020675968_100015291786 [0,1,0,0,0,1|1,0,1]=4 9811 B17R1.1292 CCCCC/C=C/CC(=O)Nc1ccccc1 11a_100000106764_100020675968 [0,1,0,0,0,1|1,0,1]=4 9812 B17R1.1292 CCCCC/C=C/CC(=O)Nc1ccccc1 1626a_100000106764_100020675968 [0,1,0,0,0,1|1,0,1]=4 9813 B17R1.1292 CCCCC/C=C/CC(=O)Nc1ccccc1 22a_100000106764_100020675968 [0,1,0,0,0,1|1,0,1]=4 9814 B17R1.1292 CCCCCC=NNC(=O)Cc1ccccc1 4a_100000182964_100000737632 [0,1,0,0,0,1|1,0,1]=4 9815 B17R1.1292 CCCCCCC=CC(=O)Cc1ccccc1 1458a_200015324643_100015291786 [0,1,0,0,0,1|1,0,0]=3 9816 B17R1.1292 CCCCCCC=CC(=O)Cc1ccccn1 1458a_200015324643_100000721315 [0,1,0,0,0,1|2,0,0]=4 9817 B17R1.1292 CCCCCCC=CC(=O)Cc1cccnc1 1458a_200015324643_100000733263 [0,1,0,0,0,1|2,0,0]=4 9818 B17R1.1292 CCCCCCC=CC(=O)Cc1ccncc1 1458a_200015324643_100000705612 [0,1,0,0,0,1|2,0,0]=4 9819 B17R1.1292 CCCCCCC=CC(=O)Nc1ccccc1 11a_100000106764_200015324643 [0,1,0,0,0,1|1,0,0]=3 9820 B17R1.1292 CCCCCCC=CC(=O)Nc1ccccc1 1626a_100000106764_200015324643 [0,1,0,0,0,1|1,0,0]=3 9821 B17R1.1292 CCCCCCC=CC(=O)Nc1ccccc1 22a_100000106764_200015324643 [0,1,0,0,0,1|1,0,0]=3 9822 B17R1.1292 CCCCCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210759 [0,1,0,0,0,1|2,0,0]=4 9823 B17R1.1292 CCCCCCCCC(=O)Cc1ccccc1 1458a_100000210188_100015291786 [0,1,0,0,0,1|1,0,0]=3 9824 B17R1.1292 CCCCCCCCC(=O)Cc1ccccn1 1458a_100000210188_100000721315 [0,1,0,0,0,1|2,0,0]=4 9825 B17R1.1292 CCCCCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210759 [0,1,0,0,0,1|2,0,0]=4 9826 B17R1.1292 CCCCCCCCC(=O)Cc1cccnc1 1458a_100000210188_100000733263 [0,1,0,0,0,1|2,0,0]=4 9827 B17R1.1292 CCCCCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210759 [0,1,0,0,0,1|2,0,0]=4 9828 B17R1.1292 CCCCCCCCC(=O)Cc1ccncc1 1458a_100000210188_100000705612 [0,1,0,0,0,1|2,0,0]=4 9829 B17R1.1292 CCCCCCCCC(=O)Nc1ccccc1 11a_100000106764_100000210188 [0,1,0,0,0,1|1,0,0]=3 9830 B17R1.1292 CCCCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210188 [0,1,0,0,0,1|1,0,0]=3 9831 B17R1.1292 CCCCCCCCC(=O)Nc1ccccc1 22a_100000106764_100000210188 [0,1,0,0,0,1|1,0,0]=3 9832 B17R1.1292 CCCCCCCCC(=O)Nc1ccccc1 527a_100000106764_100000210188 [0,1,0,0,0,1|1,0,0]=3 9833 B17R1.1292 CCCCCCCNC(=O)C[n+]1ccccc1 11a_100000229938_200000086051 [0,1,0,0,0,1|2,0,0]=4 9834 B17R1.1292 CCCCCCCNC(=O)C[n+]1ccccc1 240690a_100000229938_200000086051 [0,1,0,0,0,1|2,0,0]=4 9835 B17R1.1292 CCCCCCCNC(=O)C[n+]1ccccc1 527a_100000229938_200000086051 [0,1,0,0,0,1|2,0,0]=4 9836 B17R1.1292 CCCCCCCNC(=O)Cc1ccccn1 11a_100000229938_100000233486 [0,1,0,0,0,1|2,0,0]=4 9837 B17R1.1292 CCCCCCCNC(=O)Cc1cccnc1 11a_100000229938_100000737805 [0,1,0,0,0,1|2,0,0]=4 9838 B17R1.1292 CCCCCCCNC(=O)Cc1cccnc1 240690a_100000229938_100000737805 [0,1,0,0,0,1|2,0,0]=4 9839 B17R1.1292 CCCCCCCNC(=O)Cc1cccnc1 527a_100000229938_100000737805 [0,1,0,0,0,1|2,0,0]=4 9840 B17R1.1292 CCCCCCCNC(=O)Cc1ccncc1 11a_100000229938_100011201483 [0,1,0,0,0,1|2,0,0]=4 9841 B17R1.1292 CCCCCCCNC(=O)Cc1ccncc1 240690a_100000229938_100011201483 [0,1,0,0,0,1|2,0,0]=4 9842 B17R1.1292 CCCCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000229938 [0,1,0,0,0,1|1,0,0]=3 9843 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 34a_100000210272_200011218536 [0,1,0,0,0,1|1,0,1]=4 9844 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 34a_100000748627_100000210614 [0,1,0,0,0,1|1,0,1]=4 9845 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 7a_100000210272_200011218536 [0,1,0,0,0,1|1,0,1]=4 9846 B17R1.1292 CCCCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210614 [0,1,0,0,0,1|1,0,1]=4 9847 B17R1.1292 CCCCCCNCC(=O)Cc1ccccc1 2230a_100000210581_100000233483 [0,1,0,0,0,1|1,0,0]=3 9848 B17R1.1292 CCCCCCNCC(=O)Nc1ccccc1 2230a_100000210581_100000182850 [0,1,0,0,0,1|1,0,0]=3 9849 B17R1.1292 CCCCCCNCC(=O)Nc1ccccn1 2230a_100000210581_100020662008 [0,1,0,0,0,1|2,0,0]=4 9850 B17R1.1292 CCCCCCNCC(=O)Nc1ccncc1 2230a_100000210581_100000754145 [0,1,0,0,0,1|2,0,0]=4 9851 B17R1.1292 CCCCCCNCC(=O)Oc1ccccc1 2230a_100000210581_100009813826 [0,1,0,0,0,1|1,0,0]=3 9852 B17R1.1292 CCCCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000210314 [0,1,0,0,0,1|1,0,0]=3 9853 B17R1.1292 CCCCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000210314 [0,1,0,0,0,1|1,0,0]=3 9854 B17R1.1292 CCCCCCOCC(=O)Cc1ccccc1 7a_100000210259_100000233483 [0,1,0,0,0,1|0,0,0]=2 9855 B17R1.1292 CCCCCCOCC(=O)Nc1ccccc1 34a_100000210259_100000182850 [0,1,0,0,0,1|0,0,0]=2 9856 B17R1.1292 CCCCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210314 [0,1,0,0,0,1|0,0,0]=2 9857 B17R1.1292 CCCCCCOCC(=O)Nc1ccccc1 7a_100000210259_100000182850 [0,1,0,0,0,1|0,0,0]=2 9858 B17R1.1292 CCCCCCOCC(=O)Nc1ccccn1 7a_100000210259_100020662008 [0,1,0,0,0,1|1,0,0]=3 9859 B17R1.1292 CCCCCCOCC(=O)Nc1ccncc1 7a_100000210259_100000754145 [0,1,0,0,0,1|1,0,0]=3 9860 B17R1.1292 CCCCCCOCC(=O)Nc1ncccn1 7a_100000210259_100000183248 [0,1,0,0,0,1|2,0,0]=4 9861 B17R1.1292 CCCCCCOCC(=O)Oc1ccccc1 34a_100000210259_100009813826 [0,1,0,0,0,1|0,0,0]=2 9862 B17R1.1292 CCCCCCOCC(=O)Oc1ccccc1 7a_100000210259_100009813826 [0,1,0,0,0,1|0,0,0]=2 9863 B17R1.1292 CCCCCCOCC(C)Cc1ccccc1 34a_100012125295_100000210314 [0,1,0,0,0,1|1,0,1]=4 9864 B17R1.1292 CCCCCCOCC(C)Cc1ccccc1 7a_100012125295_100000210314 [0,1,0,0,0,1|1,0,1]=4 9865 B17R1.1292 CCCCCCOCC(C)Oc1ccccc1 34a_200000036796_100000210314 [0,1,0,0,0,1|1,0,1]=4 9866 B17R1.1292 CCCCCCOCC(C)Oc1ccccc1 7a_200000036796_100000210314 [0,1,0,0,0,1|1,0,1]=4 9867 B17R1.1292 CCCCCCOCC(N)Cc1ccccc1 34a_100000739027_100000210314 [0,1,0,0,0,1|1,0,1]=4 9868 B17R1.1292 CCCCCCOC[C@@H](O)Cc1ccccc1 34a_100000210259_100000729385 [0,1,0,0,0,1|0,0,2]=4 9869 B17R1.1292 CCCCCCOC[C@@H](O)Cc1ccccc1 7a_100000210259_100000729385 [0,1,0,0,0,1|0,0,2]=4 9870 B17R1.1292 CCCCCCSCC(=O)Cc1ccccc1 62a_100000210314_100000233483 [0,1,0,0,0,1|0,1,0]=3 9871 B17R1.1292 CCCCCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210757 [0,1,0,0,0,1|0,1,0]=3 9872 B17R1.1292 CCCCCCSCC(=O)Nc1ccccc1 62a_100000210314_100000182850 [0,1,0,0,0,1|0,1,0]=3 9873 B17R1.1292 CCCCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210757 [0,1,0,0,0,1|0,1,0]=3 9874 B17R1.1292 CCCCCCSCC(=O)Nc1ccccn1 62a_100000210314_100020662008 [0,1,0,0,0,1|1,1,0]=4 9875 B17R1.1292 CCCCCCSCC(=O)Nc1ccccn1 62a_100020662008_100000210757 [0,1,0,0,0,1|1,1,0]=4 9876 B17R1.1292 CCCCCCSCC(=O)Nc1ccncc1 62a_100000210314_100000754145 [0,1,0,0,0,1|1,1,0]=4 9877 B17R1.1292 CCCCCCSCC(=O)Oc1ccccc1 62a_100000210314_100009813826 [0,1,0,0,0,1|0,1,0]=3 9878 B17R1.1292 CCCCCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210757 [0,1,0,0,0,1|0,1,0]=3 9879 B17R1.1292 CCCCCNCCC(=O)Nc1ccccc1 2230a_100000209983_100000242058 [0,1,0,0,0,1|1,0,0]=3 9880 B17R1.1292 CCCCCNCCC(=O)Nc1cccnc1 2230a_100000209983_200015187043 [0,1,0,0,0,1|2,0,0]=4 9881 B17R1.1292 CCCCCNCCC(=O)Nc1cccnc1 34a_100000748795_100000718602 [0,1,0,0,0,1|2,0,0]=4 9882 B17R1.1292 CCCCCNCCC(=O)Oc1ccccc1 2230a_100000209983_200000035796 [0,1,0,0,0,1|1,0,0]=3 9883 B17R1.1292 CCCCCOCCC(=O)Nc1ccccc1 34a_100000210253_100000242058 [0,1,0,0,0,1|1,0,0]=3 9884 B17R1.1292 CCCCCOCCC(=O)Nc1ccccc1 7a_100000210253_100000242058 [0,1,0,0,0,1|1,0,0]=3 9885 B17R1.1292 CCCCCOCCC(=O)Nc1cccnc1 7a_100000210253_200015187043 [0,1,0,0,0,1|2,0,0]=4 9886 B17R1.1292 CCCCCOCCC(=O)Oc1ccccc1 7a_100000210253_200000035796 [0,1,0,0,0,1|1,0,0]=3 9887 B17R1.1292 CCCCCSCCC(=O)Nc1ccccc1 62a_100000210326_100000242058 [0,1,0,0,0,1|1,0,0]=3 9888 B17R1.1292 CCCCCSCCC(=O)Nc1cccnc1 62a_100000210326_200015187043 [0,1,0,0,0,1|2,0,0]=4 9889 B17R1.1292 CCCCCSCCC(=O)Oc1ccccc1 62a_100000210326_200000035796 [0,1,0,0,0,1|1,0,0]=3 9890 B17R1.1292 CCCCNCCCC(=O)Nc1ccccc1 2230a_100000102301_100011194425 [0,1,0,0,0,1|1,0,0]=3 9891 B17R1.1292 CCCCNCCCC(=O)Nc1ccccc1 34a_100000750157_100000210210 [0,1,0,0,0,1|1,0,0]=3 9892 B17R1.1292 CCCCNCCCC(=O)Nc1ccccc1 7a_106832991798_100011194425 [0,1,0,0,0,1|1,0,0]=3 9893 B17R1.1292 CCCCOCCCC(=O)Nc1ccccc1 34a_100000210227_100011194425 [0,1,0,0,0,1|1,0,0]=3 9894 B17R1.1292 CCCCOCCCC(=O)Nc1ccccc1 7a_100000210227_100011194425 [0,1,0,0,0,1|1,0,0]=3 9895 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 34a_100000210238_200011218536 [0,1,0,0,0,1|1,0,1]=4 9896 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 34a_100000748627_100000743108 [0,1,0,0,0,1|1,0,1]=4 9897 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 7a_100000210238_200011218536 [0,1,0,0,0,1|1,0,1]=4 9898 B17R1.1292 CCCCOCCOC(C)Cc1ccccc1 7a_100000748627_100000743108 [0,1,0,0,0,1|1,0,1]=4 9899 B17R1.1292 CCCCOCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011995733 [0,1,0,0,0,1|2,0,0]=4 9900 B17R1.1292 CCCCOCOCC(=O)Nc1ccccc1 34a_100000246334_100011995733 [0,1,0,0,0,1|1,0,0]=3 9901 B17R1.1292 CCCCOCSCC(=O)Cc1ccccc1 62a_100000233483_100011995733 [0,1,0,0,0,1|1,1,0]=4 9902 B17R1.1292 CCCCOCSCC(=O)Cc1ccccc1 62a_100011995733_100000233483 [0,1,0,0,0,1|1,1,0]=4 9903 B17R1.1292 CCCCOCSCC(=O)Nc1ccccc1 62a_100011995733_100000182850 [0,1,0,0,0,1|1,1,0]=4 9904 B17R1.1292 CCCCOCSCC(=O)Nc1ccccc1 62a_100012148978_100011995733 [0,1,0,0,0,1|1,1,0]=4 9905 B17R1.1292 CCCCOCSCC(=O)Oc1ccccc1 62a_100009813826_100011995733 [0,1,0,0,0,1|1,1,0]=4 9906 B17R1.1292 CCCCOCSCC(=O)Oc1ccccc1 62a_100011995733_100009813826 [0,1,0,0,0,1|1,1,0]=4 9907 B17R1.1292 CCCCSCCCC(=O)Nc1ccccc1 62a_100000210211_100011194425 [0,1,0,0,0,1|1,0,0]=3 9908 B17R1.1292 CCCCSCCNC(=O)C[n+]1ccccc1 11a_100025743550_200000086051 [0,1,0,0,0,1|2,0,0]=4 9909 B17R1.1292 CCCCSCCNC(=O)C[n+]1ccccc1 240690a_100025743550_200000086051 [0,1,0,0,0,1|2,0,0]=4 9910 B17R1.1292 CCCCSCCNC(=O)C[n+]1ccccc1 527a_100025743550_200000086051 [0,1,0,0,0,1|2,0,0]=4 9911 B17R1.1292 CCCCSCCNC(=O)Cc1ccccn1 11a_100025743550_100000233486 [0,1,0,0,0,1|2,0,0]=4 9912 B17R1.1292 CCCCSCCNC(=O)Cc1cccnc1 11a_100025743550_100000737805 [0,1,0,0,0,1|2,0,0]=4 9913 B17R1.1292 CCCCSCCNC(=O)Cc1cccnc1 240690a_100025743550_100000737805 [0,1,0,0,0,1|2,0,0]=4 9914 B17R1.1292 CCCCSCCNC(=O)Cc1cccnc1 527a_100025743550_100000737805 [0,1,0,0,0,1|2,0,0]=4 9915 B17R1.1292 CCCCSCCNC(=O)Cc1ccncc1 11a_100025743550_100011201483 [0,1,0,0,0,1|2,0,0]=4 9916 B17R1.1292 CCCCSCCNC(=O)Cc1ccncc1 240690a_100025743550_100011201483 [0,1,0,0,0,1|2,0,0]=4 9917 B17R1.1292 CCCCSCCNC(=O)Nc1ccccc1 2430a_100000106764_100025743550 [0,1,0,0,0,1|1,0,0]=3 9918 B17R1.1292 CCCCSCCOC(C)Cc1ccccc1 34a_200000230436_200011218536 [0,1,0,0,0,1|1,0,1]=4 9919 B17R1.1292 CCCCSCCOC(C)Cc1ccccc1 7a_200000230436_200011218536 [0,1,0,0,0,1|1,0,1]=4 9920 B17R1.1292 CCCOCCCNC(=O)C[n+]1ccccc1 240690a_100011217757_200000086051 [0,1,0,0,0,1|2,0,0]=4 9921 B17R1.1292 CCCOCCCNC(=O)C[n+]1ccccc1 527a_100011217757_200000086051 [0,1,0,0,0,1|2,0,0]=4 9922 B17R1.1292 CCCOCCCNC(=O)Cc1cccnc1 240690a_100011217757_100000737805 [0,1,0,0,0,1|2,0,0]=4 9923 B17R1.1292 CCCOCCCNC(=O)Cc1cccnc1 527a_100011217757_100000737805 [0,1,0,0,0,1|2,0,0]=4 9924 B17R1.1292 CCCOCCCNC(=O)Cc1ccncc1 240690a_100011217757_100011201483 [0,1,0,0,0,1|2,0,0]=4 9925 B17R1.1292 CCCOCCCNC(=O)Nc1ccccc1 2430a_100000106764_100011217757 [0,1,0,0,0,1|1,0,0]=3 9926 B17R1.1292 CCCOCCNCC(=O)Cc1ccccc1 2230a_100161115042_100000233483 [0,1,0,0,0,1|2,0,0]=4 9927 B17R1.1292 CCCOCCNCC(=O)Nc1ccccc1 2230a_100161115042_100000182850 [0,1,0,0,0,1|2,0,0]=4 9928 B17R1.1292 CCCOCCNCC(=O)Nc1ccccc1 34a_100161115042_100000182850 [0,1,0,0,0,1|2,0,0]=4 9929 B17R1.1292 CCCOCCNCC(=O)Oc1ccccc1 2230a_100161115042_100009813826 [0,1,0,0,0,1|2,0,0]=4 9930 B17R1.1292 CCCOCCNCC(=O)Oc1ccccc1 34a_100161115042_100009813826 [0,1,0,0,0,1|2,0,0]=4 9931 B17R1.1292 CCCOCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100011215938 [0,1,0,0,0,1|2,0,0]=4 9932 B17R1.1292 CCCOCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100011215938 [0,1,0,0,0,1|2,0,0]=4 9933 B17R1.1292 CCCOCCOCC(=O)Cc1ccccc1 7a_100000752267_100000233483 [0,1,0,0,0,1|1,0,0]=3 9934 B17R1.1292 CCCOCCOCC(=O)Nc1ccccc1 34a_100000246334_100011215938 [0,1,0,0,0,1|1,0,0]=3 9935 B17R1.1292 CCCOCCOCC(=O)Nc1ccccc1 34a_100000752267_100000182850 [0,1,0,0,0,1|1,0,0]=3 9936 B17R1.1292 CCCOCCOCC(=O)Nc1ccccc1 7a_100000752267_100000182850 [0,1,0,0,0,1|1,0,0]=3 9937 B17R1.1292 CCCOCCOCC(=O)Nc1ccccn1 7a_100000752267_100020662008 [0,1,0,0,0,1|2,0,0]=4 9938 B17R1.1292 CCCOCCOCC(=O)Nc1ccncc1 7a_100000752267_100000754145 [0,1,0,0,0,1|2,0,0]=4 9939 B17R1.1292 CCCOCCOCC(=O)Oc1ccccc1 34a_100000752267_100009813826 [0,1,0,0,0,1|1,0,0]=3 9940 B17R1.1292 CCCOCCOCC(=O)Oc1ccccc1 7a_100000752267_100009813826 [0,1,0,0,0,1|1,0,0]=3 9941 B17R1.1292 CCCOCCSCC(=O)Cc1ccccc1 62a_100000233483_100011215938 [0,1,0,0,0,1|1,1,0]=4 9942 B17R1.1292 CCCOCCSCC(=O)Cc1ccccc1 62a_100011215938_100000233483 [0,1,0,0,0,1|1,1,0]=4 9943 B17R1.1292 CCCOCCSCC(=O)Nc1ccccc1 62a_100011215938_100000182850 [0,1,0,0,0,1|1,1,0]=4 9944 B17R1.1292 CCCOCCSCC(=O)Nc1ccccc1 62a_100012148978_100011215938 [0,1,0,0,0,1|1,1,0]=4 9945 B17R1.1292 CCCOCCSCC(=O)Oc1ccccc1 62a_100009813826_100011215938 [0,1,0,0,0,1|1,1,0]=4 9946 B17R1.1292 CCCOCCSCC(=O)Oc1ccccc1 62a_100011215938_100009813826 [0,1,0,0,0,1|1,1,0]=4 9947 B17R1.1292 CCCSCCNCC(=O)Cc1ccccc1 2230a_100020603323_100000233483 [0,1,0,0,0,1|2,0,0]=4 9948 B17R1.1292 CCCSCCNCC(=O)Nc1ccccc1 2230a_100020603323_100000182850 [0,1,0,0,0,1|2,0,0]=4 9949 B17R1.1292 CCCSCCNCC(=O)Oc1ccccc1 2230a_100020603323_100009813826 [0,1,0,0,0,1|2,0,0]=4 9950 B17R1.1292 CCCSCCOCC(=O)Cc1ccccc1 7a_200000230433_100000233483 [0,1,0,0,0,1|1,0,0]=3 9951 B17R1.1292 CCCSCCOCC(=O)Nc1ccccc1 34a_200000230433_100000182850 [0,1,0,0,0,1|1,0,0]=3 9952 B17R1.1292 CCCSCCOCC(=O)Nc1ccccc1 7a_200000230433_100000182850 [0,1,0,0,0,1|1,0,0]=3 9953 B17R1.1292 CCCSCCOCC(=O)Nc1ccccn1 7a_200000230433_100020662008 [0,1,0,0,0,1|2,0,0]=4 9954 B17R1.1292 CCCSCCOCC(=O)Nc1ccncc1 7a_200000230433_100000754145 [0,1,0,0,0,1|2,0,0]=4 9955 B17R1.1292 CCCSCCOCC(=O)Oc1ccccc1 34a_200000230433_100009813826 [0,1,0,0,0,1|1,0,0]=3 9956 B17R1.1292 CCCSCCOCC(=O)Oc1ccccc1 7a_200000230433_100009813826 [0,1,0,0,0,1|1,0,0]=3 9957 B17R1.1292 CCOCCCNCC(=O)Cc1ccccc1 2230a_100000210961_100000233483 [0,1,0,0,0,1|2,0,0]=4 9958 B17R1.1292 CCOCCCNCC(=O)Nc1ccccc1 2230a_100000210961_100000182850 [0,1,0,0,0,1|2,0,0]=4 9959 B17R1.1292 CCOCCCNCC(=O)Nc1ccccc1 34a_100000210961_100000182850 [0,1,0,0,0,1|2,0,0]=4 9960 B17R1.1292 CCOCCCNCC(=O)Oc1ccccc1 2230a_100000210961_100009813826 [0,1,0,0,0,1|2,0,0]=4 9961 B17R1.1292 CCOCCCNCC(=O)Oc1ccccc1 34a_100000210961_100009813826 [0,1,0,0,0,1|2,0,0]=4 9962 B17R1.1292 CCOCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100012232248 [0,1,0,0,0,1|2,0,0]=4 9963 B17R1.1292 CCOCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100012232248 [0,1,0,0,0,1|2,0,0]=4 9964 B17R1.1292 CCOCCCOCC(=O)Cc1ccccc1 7a_100000757476_100000233483 [0,1,0,0,0,1|1,0,0]=3 9965 B17R1.1292 CCOCCCOCC(=O)Nc1ccccc1 34a_100000246334_100012232248 [0,1,0,0,0,1|1,0,0]=3 9966 B17R1.1292 CCOCCCOCC(=O)Nc1ccccc1 34a_100000757476_100000182850 [0,1,0,0,0,1|1,0,0]=3 9967 B17R1.1292 CCOCCCOCC(=O)Nc1ccccc1 7a_100000757476_100000182850 [0,1,0,0,0,1|1,0,0]=3 9968 B17R1.1292 CCOCCCOCC(=O)Nc1ccccn1 7a_100000757476_100020662008 [0,1,0,0,0,1|2,0,0]=4 9969 B17R1.1292 CCOCCCOCC(=O)Nc1ccncc1 7a_100000757476_100000754145 [0,1,0,0,0,1|2,0,0]=4 9970 B17R1.1292 CCOCCCOCC(=O)Oc1ccccc1 34a_100000757476_100009813826 [0,1,0,0,0,1|1,0,0]=3 9971 B17R1.1292 CCOCCCOCC(=O)Oc1ccccc1 7a_100000757476_100009813826 [0,1,0,0,0,1|1,0,0]=3 9972 B17R1.1292 CCOCCCSCC(=O)Cc1ccccc1 62a_100000233483_100012232248 [0,1,0,0,0,1|1,1,0]=4 9973 B17R1.1292 CCOCCCSCC(=O)Cc1ccccc1 62a_100012232248_100000233483 [0,1,0,0,0,1|1,1,0]=4 9974 B17R1.1292 CCOCCCSCC(=O)Nc1ccccc1 62a_100012148978_100012232248 [0,1,0,0,0,1|1,1,0]=4 9975 B17R1.1292 CCOCCCSCC(=O)Nc1ccccc1 62a_100012232248_100000182850 [0,1,0,0,0,1|1,1,0]=4 9976 B17R1.1292 CCOCCCSCC(=O)Oc1ccccc1 62a_100009813826_100012232248 [0,1,0,0,0,1|1,1,0]=4 9977 B17R1.1292 CCOCCCSCC(=O)Oc1ccccc1 62a_100012232248_100009813826 [0,1,0,0,0,1|1,1,0]=4 9978 B17R1.1292 CCOCCNCCC(=O)Nc1ccccc1 2230a_102516460346_100000242058 [0,1,0,0,0,1|2,0,0]=4 9979 B17R1.1292 CCOCCNCCC(=O)Nc1ccccc1 34a_102516460346_100000242058 [0,1,0,0,0,1|2,0,0]=4 9980 B17R1.1292 CCOCCNCCC(=O)Oc1ccccc1 2230a_102516460346_200000035796 [0,1,0,0,0,1|2,0,0]=4 9981 B17R1.1292 CCOCCOCCC(=O)Nc1ccccc1 34a_100000210136_100000242058 [0,1,0,0,0,1|2,0,0]=4 9982 B17R1.1292 CCOCCOCCC(=O)Nc1ccccc1 7a_100000210136_100000242058 [0,1,0,0,0,1|2,0,0]=4 9983 B17R1.1292 CCOCCOCCC(=O)Oc1ccccc1 7a_100000210136_200000035796 [0,1,0,0,0,1|2,0,0]=4 9984 B17R1.1292 CCOCCSCCC(=O)Nc1ccccc1 62a_100000210147_100000242058 [0,1,0,0,0,1|2,0,0]=4 9985 B17R1.1292 CCOCCSCCC(=O)Oc1ccccc1 62a_100000210147_200000035796 [0,1,0,0,0,1|2,0,0]=4 9986 B17R1.1292 CCOCSCCCC(=O)Nc1ccccc1 62a_100000739092_100011194425 [0,1,0,0,0,1|2,0,0]=4 9987 B17R1.1292 CCSCCCOCC(=O)Cc1ccccc1 7a_100011216438_100000233483 [0,1,0,0,0,1|1,0,0]=3 9988 B17R1.1292 CCSCCCOCC(=O)Nc1ccccc1 34a_100011216438_100000182850 [0,1,0,0,0,1|1,0,0]=3 9989 B17R1.1292 CCSCCCOCC(=O)Nc1ccccc1 7a_100011216438_100000182850 [0,1,0,0,0,1|1,0,0]=3 9990 B17R1.1292 CCSCCCOCC(=O)Nc1ccccn1 7a_100011216438_100020662008 [0,1,0,0,0,1|2,0,0]=4 9991 B17R1.1292 CCSCCCOCC(=O)Nc1ccncc1 7a_100011216438_100000754145 [0,1,0,0,0,1|2,0,0]=4 9992 B17R1.1292 CCSCCCOCC(=O)Oc1ccccc1 34a_100011216438_100009813826 [0,1,0,0,0,1|1,0,0]=3 9993 B17R1.1292 CCSCCCOCC(=O)Oc1ccccc1 7a_100011216438_100009813826 [0,1,0,0,0,1|1,0,0]=3 9994 B17R1.1292 CCSCCNCCC(=O)Nc1ccccc1 2230a_100000106463_100000242058 [0,1,0,0,0,1|2,0,0]=4 9995 B17R1.1292 CCSCCNCCC(=O)Oc1ccccc1 2230a_100000106463_200000035796 [0,1,0,0,0,1|2,0,0]=4 9996 B17R1.1292 CCSCCOCCC(=O)Nc1ccccc1 34a_100000212035_100000242058 [0,1,0,0,0,1|2,0,0]=4 9997 B17R1.1292 CCSCCOCCC(=O)Nc1ccccc1 7a_100000212035_100000242058 [0,1,0,0,0,1|2,0,0]=4 9998 B17R1.1292 CCSCCOCCC(=O)Oc1ccccc1 7a_100000212035_200000035796 [0,1,0,0,0,1|2,0,0]=4 9999 B17R1.1292 CCSCCSCCC(=O)Nc1ccccc1 62a_100000757381_100000242058 [0,1,0,0,0,1|2,0,0]=4 10000 B17R1.1292 CCSCCSCCC(=O)Oc1ccccc1 62a_100000757381_200000035796 [0,1,0,0,0,1|2,0,0]=4 10001 B17R1.1292 CNCCCCCOC(C)Cc1ccccc1 34a_100000722520_200011218536 [0,1,0,0,0,1|1,0,1]=4 10002 B17R1.1292 CNCCCOCCC(=O)Nc1ccccc1 34a_100000213112_100000242058 [0,1,0,0,0,1|2,0,0]=4 10003 B17R1.1292 COCCCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100011998445 [0,1,0,0,0,1|2,0,0]=4 10004 B17R1.1292 COCCCCCCC(=O)Cc1ccccn1 1458a_100000233486_100011998445 [0,1,0,0,0,1|2,0,0]=4 10005 B17R1.1292 COCCCCCCC(=O)Cc1cccnc1 1458a_100000737805_100011998445 [0,1,0,0,0,1|2,0,0]=4 10006 B17R1.1292 COCCCCCNC(=O)C[n+]1ccccc1 11a_100000747528_200000086051 [0,1,0,0,0,1|2,0,0]=4 10007 B17R1.1292 COCCCCCNC(=O)C[n+]1ccccc1 240690a_100000747528_200000086051 [0,1,0,0,0,1|2,0,0]=4 10008 B17R1.1292 COCCCCCNC(=O)C[n+]1ccccc1 527a_100000747528_200000086051 [0,1,0,0,0,1|2,0,0]=4 10009 B17R1.1292 COCCCCCNC(=O)Cc1ccccn1 11a_100000747528_100000233486 [0,1,0,0,0,1|2,0,0]=4 10010 B17R1.1292 COCCCCCNC(=O)Cc1cccnc1 11a_100000747528_100000737805 [0,1,0,0,0,1|2,0,0]=4 10011 B17R1.1292 COCCCCCNC(=O)Cc1cccnc1 240690a_100000747528_100000737805 [0,1,0,0,0,1|2,0,0]=4 10012 B17R1.1292 COCCCCCNC(=O)Cc1cccnc1 527a_100000747528_100000737805 [0,1,0,0,0,1|2,0,0]=4 10013 B17R1.1292 COCCCCCNC(=O)Cc1ccncc1 11a_100000747528_100011201483 [0,1,0,0,0,1|2,0,0]=4 10014 B17R1.1292 COCCCCCNC(=O)Cc1ccncc1 240690a_100000747528_100011201483 [0,1,0,0,0,1|2,0,0]=4 10015 B17R1.1292 COCCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000747528 [0,1,0,0,0,1|1,0,0]=3 10016 B17R1.1292 COCCCCOC/C(=C/c1ccccc1)/C 34a_200025717232_100000755781 [0,1,0,0,0,1|2,0,0]=4 10017 B17R1.1292 COCCCCOC/C(=C/c1ccccc1)/C 7a_200025717232_100000730899 [0,1,0,0,0,1|2,0,0]=4 10018 B17R1.1292 COCCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000755781 [0,1,0,0,0,1|1,0,0]=3 10019 B17R1.1292 COCCCCOCC(=O)Nc1ccccc1 34a_100000740925_100000182850 [0,1,0,0,0,1|1,0,0]=3 10020 B17R1.1292 COCCCCOCC(=O)Oc1ccccc1 34a_100000740925_100009813826 [0,1,0,0,0,1|1,0,0]=3 10021 B17R1.1292 COCCCCSCC(=O)Cc1ccccc1 62a_100000233483_100000730899 [0,1,0,0,0,1|1,1,0]=4 10022 B17R1.1292 COCCCCSCC(=O)Cc1ccccc1 62a_100000730899_100000233483 [0,1,0,0,0,1|1,1,0]=4 10023 B17R1.1292 COCCCCSCC(=O)Nc1ccccc1 62a_100000730899_100000182850 [0,1,0,0,0,1|1,1,0]=4 10024 B17R1.1292 COCCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000730899 [0,1,0,0,0,1|1,1,0]=4 10025 B17R1.1292 COCCCCSCC(=O)Oc1ccccc1 62a_100000730899_100009813826 [0,1,0,0,0,1|1,1,0]=4 10026 B17R1.1292 COCCCCSCC(=O)Oc1ccccc1 62a_100009813826_100000730899 [0,1,0,0,0,1|1,1,0]=4 10027 B17R1.1292 COCCCNCCC(=O)Nc1ccccc1 34a_100150723488_100000242058 [0,1,0,0,0,1|2,0,0]=4 10028 B17R1.1292 COCCCOCCC(=O)Nc1ccccc1 34a_100000740835_100000242058 [0,1,0,0,0,1|2,0,0]=4 10029 B17R1.1292 COCCCSCCC(=O)Nc1ccccc1 62a_100000709357_100000242058 [0,1,0,0,0,1|2,0,0]=4 10030 B17R1.1292 COCCCSCCC(=O)Oc1ccccc1 62a_100000709357_200000035796 [0,1,0,0,0,1|2,0,0]=4 10031 B17R1.1292 COCCNCCCC(=O)Nc1ccccc1 2230a_100000209980_100011194425 [0,1,0,0,0,1|2,0,0]=4 10032 B17R1.1292 COCCNCCCC(=O)Nc1ccccc1 34a_100000750157_100011201679 [0,1,0,0,0,1|2,0,0]=4 10033 B17R1.1292 COCCOCCCC(=O)Nc1ccccc1 34a_100000210237_100011194425 [0,1,0,0,0,1|2,0,0]=4 10034 B17R1.1292 COCCOCCNC(=O)Nc1ccccc1 2430a_100000106764_100000745349 [0,1,0,0,0,1|2,0,0]=4 10035 B17R1.1292 COCCSCCCC(=O)Nc1ccccc1 62a_100000233755_100011194425 [0,1,0,0,0,1|2,0,0]=4 10036 B17R1.1292 CSCCCCOCC(=O)Cc1ccccc1 7a_100011217163_100000233483 [0,1,0,0,0,1|1,0,0]=3 10037 B17R1.1292 CSCCCCOCC(=O)Nc1ccccc1 34a_100011217163_100000182850 [0,1,0,0,0,1|1,0,0]=3 10038 B17R1.1292 CSCCCCOCC(=O)Nc1ccccc1 7a_100011217163_100000182850 [0,1,0,0,0,1|1,0,0]=3 10039 B17R1.1292 CSCCCCOCC(=O)Nc1ccccn1 7a_100011217163_100020662008 [0,1,0,0,0,1|2,0,0]=4 10040 B17R1.1292 CSCCCCOCC(=O)Nc1ccncc1 7a_100011217163_100000754145 [0,1,0,0,0,1|2,0,0]=4 10041 B17R1.1292 CSCCCCOCC(=O)Oc1ccccc1 34a_100011217163_100009813826 [0,1,0,0,0,1|1,0,0]=3 10042 B17R1.1292 CSCCCCOCC(=O)Oc1ccccc1 7a_100011217163_100009813826 [0,1,0,0,0,1|1,0,0]=3 10043 B17R1.1292 CSCCCNCCC(=O)Nc1ccccc1 2230a_100000749238_100000242058 [0,1,0,0,0,1|2,0,0]=4 10044 B17R1.1292 CSCCCNCCC(=O)Oc1ccccc1 2230a_100000749238_200000035796 [0,1,0,0,0,1|2,0,0]=4 10045 B17R1.1292 CSCCCOCCC(=O)Nc1ccccc1 34a_100000690336_100000242058 [0,1,0,0,0,1|2,0,0]=4 10046 B17R1.1292 CSCCCOCCC(=O)Nc1ccccc1 7a_100000690336_100000242058 [0,1,0,0,0,1|2,0,0]=4 10047 B17R1.1292 CSCCCOCCC(=O)Oc1ccccc1 7a_100000690336_200000035796 [0,1,0,0,0,1|2,0,0]=4 10048 B17R1.1292 CSCCNCCCC(=O)Nc1ccccc1 2230a_100020590264_100011194425 [0,1,0,0,0,1|2,0,0]=4 10049 B17R1.1292 CSCCNCCCC(=O)Nc1ccccc1 34a_100000750157_100000212216 [0,1,0,0,0,1|2,0,0]=4 10050 B17R1.1292 CSCCOCCCC(=O)Nc1ccccc1 34a_100000230434_100011194425 [0,1,0,0,0,1|2,0,0]=4 10051 B17R1.1292 CSCCOCCCC(=O)Nc1ccccc1 7a_100000230434_100011194425 [0,1,0,0,0,1|2,0,0]=4 10052 B17R1.1292 CSCCSCCCC(=O)Nc1ccccc1 62a_100000212216_100011194425 [0,1,0,0,0,1|2,0,0]=4 10053 B17R1.1292 N#CCCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000061152 [0,1,0,0,0,1|1,0,1]=4 10054 B17R1.1292 NCCCCCOCC(=O)Nc1ccccc1 34a_100000762737_100000182850 [0,1,0,0,0,1|1,0,0]=3 10055 B17R1.1292 NCCCCCOCC(=O)Oc1ccccc1 34a_100000762737_100009813826 [0,1,0,0,0,1|1,0,0]=3 10056 B17R1.1292 NCCCCOCCC(=O)Nc1ccccc1 34a_100000750430_100000242058 [0,1,0,0,0,1|2,0,0]=4 10057 B17R1.1292 NCCCOCCCC(=O)Nc1ccccc1 34a_100000182051_100011194425 [0,1,0,0,0,1|2,0,0]=4 10058 B17R1.1292 NCCOCCOCC(=O)Nc1ccccc1 34a_100000211614_100000182850 [0,1,0,0,0,1|2,0,0]=4 10059 B17R1.1292 NCCOCCOCC(=O)Oc1ccccc1 34a_100000211614_100009813826 [0,1,0,0,0,1|2,0,0]=4 10060 B17R1.1292 O=C(CCCCCCCO)C[n+]1ccccc1 1458a_200000086051_100000760002 [0,1,0,0,0,1|2,0,0]=4 10061 B17R1.1292 O=C(CCCCCCCO)Cc1ccccc1 1458a_100011219782_100015291786 [0,1,0,0,0,1|1,0,0]=3 10062 B17R1.1292 O=C(CCCCCCCO)Cc1ccccn1 1458a_100000233486_100000760002 [0,1,0,0,0,1|2,0,0]=4 10063 B17R1.1292 O=C(CCCCCCCO)Cc1ccccn1 1458a_100011219782_100000721315 [0,1,0,0,0,1|2,0,0]=4 10064 B17R1.1292 O=C(CCCCCCCO)Cc1cccnc1 1458a_100000737805_100000760002 [0,1,0,0,0,1|2,0,0]=4 10065 B17R1.1292 O=C(CCCCCCCO)Cc1cccnc1 1458a_100011219782_100000733263 [0,1,0,0,0,1|2,0,0]=4 10066 B17R1.1292 O=C(CCCCCCCO)Cc1ccncc1 1458a_100011219782_100000705612 [0,1,0,0,0,1|2,0,0]=4 10067 B17R1.1292 O=C(CCCCCCCO)Nc1ccccc1 22a_100000106764_100011219782 [0,1,0,0,0,1|1,0,0]=3 10068 B17R1.1292 O=C(CCCNCCCF)Nc1ccccc1 2230a_100015189416_100011194425 [0,1,0,0,0,1|2,0,0]=4 10069 B17R1.1292 O=C(CCCNCCCF)Nc1ccccc1 34a_100000750157_100011934791 [0,1,0,0,0,1|2,0,0]=4 10070 B17R1.1292 O=C(CCCNCCCF)Nc1ccccc1 34a_100015189416_100011194425 [0,1,0,0,0,1|2,0,0]=4 10071 B17R1.1292 O=C(CCCNCCCO)Nc1ccccc1 34a_100000750157_100000230001 [0,1,0,0,0,1|2,0,0]=4 10072 B17R1.1292 O=C(CCCOCCCBr)Nc1ccccc1 34a_100011217188_100011194425 [0,1,0,0,0,1|2,0,0]=4 10073 B17R1.1292 O=C(CCCOCCCCl)Nc1ccccc1 34a_100000230001_100011194425 [0,1,0,0,0,1|2,0,0]=4 10074 B17R1.1292 O=C(CCCOCCCF)Nc1ccccc1 34a_100000759539_100011194425 [0,1,0,0,0,1|2,0,0]=4 10075 B17R1.1292 O=C(CCCSCCCF)Nc1ccccc1 62a_100011934791_100011194425 [0,1,0,0,0,1|2,0,0]=4 10076 B17R1.1292 O=C(CCCSCCCO)Nc1ccccc1 62a_100011215043_100011194425 [0,1,0,0,0,1|2,0,0]=4 10077 B17R1.1292 O=C(CCNCCCCO)Nc1ccccc1 2230a_100000750430_100000242058 [0,1,0,0,0,1|2,0,0]=4 10078 B17R1.1292 O=C(CCNCCCCO)Nc1ccccc1 34a_100000750430_100000242058 [0,1,0,0,0,1|2,0,0]=4 10079 B17R1.1292 O=C(CCNCCCCO)Oc1ccccc1 2230a_100000750430_200000035796 [0,1,0,0,0,1|2,0,0]=4 10080 B17R1.1292 O=C(CCOCCCCBr)Nc1ccccc1 34a_100011216708_100000242058 [0,1,0,0,0,1|2,0,0]=4 10081 B17R1.1292 O=C(CCOCCCCCl)Nc1ccccc1 34a_100000210776_100000242058 [0,1,0,0,0,1|2,0,0]=4 10082 B17R1.1292 O=C(CCOCCCCCl)Nc1ccccc1 7a_100000210776_100000242058 [0,1,0,0,0,1|2,0,0]=4 10083 B17R1.1292 O=C(CCOCCCCCl)Oc1ccccc1 7a_100000210776_200000035796 [0,1,0,0,0,1|2,0,0]=4 10084 B17R1.1292 O=C(CCOCCCCF)Nc1ccccc1 34a_100011995726_100000242058 [0,1,0,0,0,1|2,0,0]=4 10085 B17R1.1292 O=C(CCOCCCCF)Nc1ccccc1 7a_100011995726_100000242058 [0,1,0,0,0,1|2,0,0]=4 10086 B17R1.1292 O=C(CCOCCCCF)Oc1ccccc1 7a_100011995726_200000035796 [0,1,0,0,0,1|2,0,0]=4 10087 B17R1.1292 O=C(CCOCCCCI)Nc1ccccc1 34a_200012148704_100000242058 [0,1,0,0,0,1|2,0,0]=4 10088 B17R1.1292 O=C(CCSCCCCF)Nc1ccccc1 62a_100000729493_100000242058 [0,1,0,0,0,1|2,0,0]=4 10089 B17R1.1292 O=C(CCSCCCCF)Oc1ccccc1 62a_100000729493_200000035796 [0,1,0,0,0,1|2,0,0]=4 10090 B17R1.1292 O=C(CCSCCCCO)Nc1ccccc1 62a_100000210776_100000242058 [0,1,0,0,0,1|2,0,0]=4 10091 B17R1.1292 O=C(CCSCCCCO)Oc1ccccc1 62a_100000210776_200000035796 [0,1,0,0,0,1|2,0,0]=4 10092 B17R1.1292 O=C(CNCCCCCO)Cc1ccccc1 2230a_100000762737_100000233483 [0,1,0,0,0,1|2,0,0]=4 10093 B17R1.1292 O=C(CNCCCCCO)Nc1ccccc1 2230a_100000762737_100000182850 [0,1,0,0,0,1|2,0,0]=4 10094 B17R1.1292 O=C(CNCCCCCO)Nc1ccccc1 34a_100000762737_100000182850 [0,1,0,0,0,1|2,0,0]=4 10095 B17R1.1292 O=C(CNCCCCCO)Oc1ccccc1 2230a_100000762737_100009813826 [0,1,0,0,0,1|2,0,0]=4 10096 B17R1.1292 O=C(CNCCCCCO)Oc1ccccc1 34a_100000762737_100009813826 [0,1,0,0,0,1|2,0,0]=4 10097 B17R1.1292 O=C(COCCCCCBr)Cc1ccccc1 7a_100000746331_100000233483 [0,1,0,0,0,1|1,0,0]=3 10098 B17R1.1292 O=C(COCCCCCBr)Nc1ccccc1 34a_100000746331_100000182850 [0,1,0,0,0,1|1,0,0]=3 10099 B17R1.1292 O=C(COCCCCCBr)Nc1ccccc1 7a_100000746331_100000182850 [0,1,0,0,0,1|1,0,0]=3 10100 B17R1.1292 O=C(COCCCCCBr)Nc1ccccn1 7a_100000746331_100020662008 [0,1,0,0,0,1|2,0,0]=4 10101 B17R1.1292 O=C(COCCCCCBr)Nc1ccncc1 7a_100000746331_100000754145 [0,1,0,0,0,1|2,0,0]=4 10102 B17R1.1292 O=C(COCCCCCBr)Oc1ccccc1 34a_100000746331_100009813826 [0,1,0,0,0,1|1,0,0]=3 10103 B17R1.1292 O=C(COCCCCCBr)Oc1ccccc1 7a_100000746331_100009813826 [0,1,0,0,0,1|1,0,0]=3 10104 B17R1.1292 O=C(COCCCCCCl)Cc1ccccc1 7a_100000746330_100000233483 [0,1,0,0,0,1|1,0,0]=3 10105 B17R1.1292 O=C(COCCCCCCl)Nc1ccccc1 34a_100000746330_100000182850 [0,1,0,0,0,1|1,0,0]=3 10106 B17R1.1292 O=C(COCCCCCCl)Nc1ccccc1 7a_100000746330_100000182850 [0,1,0,0,0,1|1,0,0]=3 10107 B17R1.1292 O=C(COCCCCCCl)Nc1ccccn1 7a_100000746330_100020662008 [0,1,0,0,0,1|2,0,0]=4 10108 B17R1.1292 O=C(COCCCCCCl)Nc1ccncc1 7a_100000746330_100000754145 [0,1,0,0,0,1|2,0,0]=4 10109 B17R1.1292 O=C(COCCCCCCl)Oc1ccccc1 34a_100000746330_100009813826 [0,1,0,0,0,1|1,0,0]=3 10110 B17R1.1292 O=C(COCCCCCCl)Oc1ccccc1 7a_100000746330_100009813826 [0,1,0,0,0,1|1,0,0]=3 10111 B17R1.1292 O=C(COCCCCCF)Nc1ccccc1 34a_100000246334_100000729378 [0,1,0,0,0,1|1,0,0]=3 10112 B17R1.1292 O=C(COCCCCCI)Cc1ccccc1 7a_200012148887_100000233483 [0,1,0,0,0,1|1,0,0]=3 10113 B17R1.1292 O=C(COCCCCCI)Nc1ccccc1 34a_200012148887_100000182850 [0,1,0,0,0,1|1,0,0]=3 10114 B17R1.1292 O=C(COCCCCCI)Nc1ccccc1 7a_200012148887_100000182850 [0,1,0,0,0,1|1,0,0]=3 10115 B17R1.1292 O=C(COCCCCCI)Nc1ccccn1 7a_200012148887_100020662008 [0,1,0,0,0,1|2,0,0]=4 10116 B17R1.1292 O=C(COCCCCCI)Nc1ccncc1 7a_200012148887_100000754145 [0,1,0,0,0,1|2,0,0]=4 10117 B17R1.1292 O=C(COCCCCCI)Oc1ccccc1 34a_200012148887_100009813826 [0,1,0,0,0,1|1,0,0]=3 10118 B17R1.1292 O=C(COCCCCCI)Oc1ccccc1 7a_200012148887_100009813826 [0,1,0,0,0,1|1,0,0]=3 10119 B17R1.1292 O=C(COCCCCCO)Nc1ccccc1 34a_100000246334_100000746330 [0,1,0,0,0,1|1,0,0]=3 10120 B17R1.1292 O=C(COCCOCCBr)Cc1ccccc1 7a_100000692535_100000233483 [0,1,0,0,0,1|2,0,0]=4 10121 B17R1.1292 O=C(COCCOCCBr)Nc1ccccc1 34a_100000692535_100000182850 [0,1,0,0,0,1|2,0,0]=4 10122 B17R1.1292 O=C(COCCOCCBr)Nc1ccccc1 7a_100000692535_100000182850 [0,1,0,0,0,1|2,0,0]=4 10123 B17R1.1292 O=C(COCCOCCBr)Oc1ccccc1 34a_100000692535_100009813826 [0,1,0,0,0,1|2,0,0]=4 10124 B17R1.1292 O=C(COCCOCCBr)Oc1ccccc1 7a_100000692535_100009813826 [0,1,0,0,0,1|2,0,0]=4 10125 B17R1.1292 O=C(COCCOCCCl)Cc1ccccc1 7a_100011215305_100000233483 [0,1,0,0,0,1|2,0,0]=4 10126 B17R1.1292 O=C(COCCOCCCl)Nc1ccccc1 34a_100011215305_100000182850 [0,1,0,0,0,1|2,0,0]=4 10127 B17R1.1292 O=C(COCCOCCCl)Nc1ccccc1 7a_100011215305_100000182850 [0,1,0,0,0,1|2,0,0]=4 10128 B17R1.1292 O=C(COCCOCCCl)Oc1ccccc1 34a_100011215305_100009813826 [0,1,0,0,0,1|2,0,0]=4 10129 B17R1.1292 O=C(COCCOCCCl)Oc1ccccc1 7a_100011215305_100009813826 [0,1,0,0,0,1|2,0,0]=4 10130 B17R1.1292 O=C(COCCOCCF)Cc1ccccc1 7a_200015357709_100000233483 [0,1,0,0,0,1|2,0,0]=4 10131 B17R1.1292 O=C(COCCOCCF)Nc1ccccc1 34a_200015357709_100000182850 [0,1,0,0,0,1|2,0,0]=4 10132 B17R1.1292 O=C(COCCOCCF)Nc1ccccc1 7a_200015357709_100000182850 [0,1,0,0,0,1|2,0,0]=4 10133 B17R1.1292 O=C(COCCOCCF)Oc1ccccc1 34a_200015357709_100009813826 [0,1,0,0,0,1|2,0,0]=4 10134 B17R1.1292 O=C(COCCOCCF)Oc1ccccc1 7a_200015357709_100009813826 [0,1,0,0,0,1|2,0,0]=4 10135 B17R1.1292 O=C(COCCOCCI)Cc1ccccc1 7a_100012149058_100000233483 [0,1,0,0,0,1|2,0,0]=4 10136 B17R1.1292 O=C(COCCOCCI)Nc1ccccc1 34a_100012149058_100000182850 [0,1,0,0,0,1|2,0,0]=4 10137 B17R1.1292 O=C(COCCOCCI)Nc1ccccc1 7a_100012149058_100000182850 [0,1,0,0,0,1|2,0,0]=4 10138 B17R1.1292 O=C(COCCOCCI)Oc1ccccc1 34a_100012149058_100009813826 [0,1,0,0,0,1|2,0,0]=4 10139 B17R1.1292 O=C(COCCOCCI)Oc1ccccc1 7a_100012149058_100009813826 [0,1,0,0,0,1|2,0,0]=4 10140 B17R1.1292 O=C(COCCOCCO)Cc1ccccc1 1458a_106645077154_100015291786 [0,1,0,0,0,1|2,0,0]=4 10141 B17R1.1292 O=C(COCCOCCO)Nc1ccccc1 1626a_100000106764_106645077154 [0,1,0,0,0,1|2,0,0]=4 10142 B17R1.1292 O=C(COCCOCCO)Nc1ccccc1 34a_100000246334_100000692535 [0,1,0,0,0,1|2,0,0]=4 10143 B17R1.1292 O=C(CSCCCCCF)Cc1ccccc1 62a_100000233483_100000729378 [0,1,0,0,0,1|1,1,0]=4 10144 B17R1.1292 O=C(CSCCCCCF)Cc1ccccc1 62a_100000729378_100000233483 [0,1,0,0,0,1|1,1,0]=4 10145 B17R1.1292 O=C(CSCCCCCF)Nc1ccccc1 62a_100000729378_100000182850 [0,1,0,0,0,1|1,1,0]=4 10146 B17R1.1292 O=C(CSCCCCCF)Nc1ccccc1 62a_100012148978_100000729378 [0,1,0,0,0,1|1,1,0]=4 10147 B17R1.1292 O=C(CSCCCCCF)Oc1ccccc1 62a_100000729378_100009813826 [0,1,0,0,0,1|1,1,0]=4 10148 B17R1.1292 O=C(CSCCCCCF)Oc1ccccc1 62a_100009813826_100000729378 [0,1,0,0,0,1|1,1,0]=4 10149 B17R1.1292 O=C(CSCCCCCO)Cc1ccccc1 62a_100000233483_100000746330 [0,1,0,0,0,1|1,1,0]=4 10150 B17R1.1292 O=C(CSCCCCCO)Cc1ccccc1 62a_100000746330_100000233483 [0,1,0,0,0,1|1,1,0]=4 10151 B17R1.1292 O=C(CSCCCCCO)Nc1ccccc1 62a_100000746330_100000182850 [0,1,0,0,0,1|1,1,0]=4 10152 B17R1.1292 O=C(CSCCCCCO)Nc1ccccc1 62a_100012148978_100000746330 [0,1,0,0,0,1|1,1,0]=4 10153 B17R1.1292 O=C(CSCCCCCO)Oc1ccccc1 62a_100000746330_100009813826 [0,1,0,0,0,1|1,1,0]=4 10154 B17R1.1292 O=C(CSCCCCCO)Oc1ccccc1 62a_100009813826_100000746330 [0,1,0,0,0,1|1,1,0]=4 10155 B17R1.1292 O=C(C[n+]1ccccc1)NCCCCCCO 240690a_100000686447_200000086051 [0,1,0,0,0,1|2,0,0]=4 10156 B17R1.1292 O=C(C[n+]1ccccc1)NCCCCCCO 527a_100000686447_200000086051 [0,1,0,0,0,1|2,0,0]=4 10157 B17R1.1292 O=C(Cc1cccnc1)NCCCCCCO 240690a_100000686447_100000737805 [0,1,0,0,0,1|2,0,0]=4 10158 B17R1.1292 O=C(Cc1cccnc1)NCCCCCCO 527a_100000686447_100000737805 [0,1,0,0,0,1|2,0,0]=4 10159 B17R1.1292 O=C(Cc1ccncc1)NCCCCCCO 240690a_100000686447_100011201483 [0,1,0,0,0,1|2,0,0]=4 10160 B17R1.1292 O=C(NCCCCCCO)Nc1ccccc1 2430a_100000106764_100000686447 [0,1,0,0,0,1|1,0,0]=3 10161 B17R1.1304 C=C(C(=O)CCCCCCC)c1ccccc1 1458a_100000065200_100000210614 [0,1,0,0,0,1|1,0,0]=3 10162 B17R1.1304 C=C(C(=O)CCCCCCF)c1ccccc1 1458a_100000065200_100015922095 [0,1,0,0,0,1|2,0,0]=4 10163 B17R1.1304 C=C(C(=O)CCCCCCO)c1ccccc1 1458a_100000065200_100000766143 [0,1,0,0,0,1|2,0,0]=4 10164 B17R1.1304 C=C(C(=O)CCOCCCC)c1ccccc1 1458a_100000065200_100000743108 [0,1,0,0,0,1|2,0,0]=4 10165 B17R1.1304 C=C(C(=O)NCCCCCC)c1ccccc1 1626a_100000210581_100000065200 [0,1,0,0,0,1|1,0,0]=3 10166 B17R1.1304 C=C(C(=O)NCCCOCC)c1ccccc1 1626a_100000210961_100000065200 [0,1,0,0,0,1|2,0,0]=4 10167 B17R1.1304 C=C(C(=O)NCCOCCC)c1ccccc1 1626a_100161115042_100000065200 [0,1,0,0,0,1|2,0,0]=4 10168 B17R1.1304 C=C(C(=O)NNCCCCC)c1ccccc1 22a_100000694160_100000065200 [0,1,0,0,0,1|2,0,0]=4 10169 B17R1.1304 CC(C(=O)CCCCCCO)c1ccccc1 1458a_100011996774_100000230085 [0,1,0,0,0,1|2,0,0]=4 10170 B17R1.1304 CCCCCC#CC(=O)C(C)c1ccccc1 1458a_100011215388_100000230085 [0,1,0,0,0,1|1,0,1]=4 10171 B17R1.1304 CCCCCC#CC(=O)N(C)c1ccccc1 22a_100000210012_100011215388 [0,1,0,0,0,1|1,0,1]=4 10172 B17R1.1304 CCCCCC=CC(=O)C(C)c1ccccc1 1458a_100016263427_100000230085 [0,1,0,0,0,1|1,0,1]=4 10173 B17R1.1304 CCCCCC=CC(=O)N(C)c1ccccc1 11a_100000210012_100016263427 [0,1,0,0,0,1|1,0,1]=4 10174 B17R1.1304 CCCCCC=CC(=O)N(C)c1ccccc1 1626a_100000210012_100016263427 [0,1,0,0,0,1|1,0,1]=4 10175 B17R1.1304 CCCCCC=CC(=O)N(C)c1ccccc1 22a_100000210012_100016263427 [0,1,0,0,0,1|1,0,1]=4 10176 B17R1.1304 CCCCCCCC(=O)C(C)c1ccccc1 1458a_100000211969_100000230085 [0,1,0,0,0,1|1,0,0]=3 10177 B17R1.1304 CCCCCCCC(=O)C(C)c1ccccn1 1458a_100000722050_100000210614 [0,1,0,0,0,1|2,0,0]=4 10178 B17R1.1304 CCCCCCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210614 [0,1,0,0,0,1|1,0,0]=3 10179 B17R1.1304 CCCCCCCC(=O)N(C)c1ccccc1 11a_100000210012_100000211969 [0,1,0,0,0,1|1,0,0]=3 10180 B17R1.1304 CCCCCCCC(=O)N(C)c1ccccc1 1626a_100000210012_100000211969 [0,1,0,0,0,1|1,0,0]=3 10181 B17R1.1304 CCCCCCCC(=O)N(C)c1ccccc1 22a_100000210012_100000211969 [0,1,0,0,0,1|1,0,0]=3 10182 B17R1.1304 CCCCCCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210614 [0,1,0,0,0,1|1,0,0]=3 10183 B17R1.1304 CCCCCCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210614 [0,1,0,0,0,1|1,0,0]=3 10184 B17R1.1304 CCCCCCNC(=O)C(C)c1ccccn1 11a_100000210581_100000722050 [0,1,0,0,0,1|2,0,0]=4 10185 B17R1.1304 CCCCCCNC(=O)C(C)c1ccccn1 1626a_100000210581_100000722050 [0,1,0,0,0,1|2,0,0]=4 10186 B17R1.1304 CCCCCCNC(=O)C(C)c1ccccn1 240690a_100000210581_100000722050 [0,1,0,0,0,1|2,0,0]=4 10187 B17R1.1304 CCCCCCNC(=O)C(C)c1ccccn1 527a_100000210581_100000722050 [0,1,0,0,0,1|2,0,0]=4 10188 B17R1.1304 CCCCCCNC(=O)C(F)c1ccccc1 11a_100000210581_100000698975 [0,1,0,0,0,1|1,0,0]=3 10189 B17R1.1304 CCCCCCNC(=O)C(F)c1ccccc1 1626a_100000210581_100000698975 [0,1,0,0,0,1|1,0,0]=3 10190 B17R1.1304 CCCCCCNC(=O)C(F)c1ccccc1 240690a_100000210581_100000698975 [0,1,0,0,0,1|1,0,0]=3 10191 B17R1.1304 CCCCCCNC(=O)C(F)c1ccccc1 527a_100000210581_100000698975 [0,1,0,0,0,1|1,0,0]=3 10192 B17R1.1304 CCCCCCNC(=O)N(C)c1ccccc1 512a_100000210581_100000210012 [0,1,0,0,0,1|1,0,0]=3 10193 B17R1.1304 CCCCCCNC(=O)[C@@H](C)c1ccccc1 11a_100000210581_100000751047 [0,1,0,0,0,1|1,0,0]=3 10194 B17R1.1304 CCCCCCNC(=O)[C@@H](C)c1ccccc1 1626a_100000210581_100000751047 [0,1,0,0,0,1|1,0,0]=3 10195 B17R1.1304 CCCCCCNC(=O)[C@@H](C)c1ccccc1 240690a_100000210581_100000751047 [0,1,0,0,0,1|1,0,0]=3 10196 B17R1.1304 CCCCCCNC(=O)[C@@H](C)c1ccccc1 527a_100000210581_100000751047 [0,1,0,0,0,1|1,0,0]=3 10197 B17R1.1304 CCCCCCNC(=O)[C@H](O)c1ccccc1 240690a_100000210581_100000684486 [0,1,0,0,0,1|1,0,0]=3 10198 B17R1.1304 CCCCCCOC(C)C(=O)c1ccccc1 7a_100000210259_100000239700 [0,1,0,0,0,1|1,0,1]=4 10199 B17R1.1304 CCCCCCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210314 [0,1,0,0,0,1|1,0,1]=4 10200 B17R1.1304 CCCCCNCC(=O)N(C)c1ccccc1 2230a_100000209983_100000183487 [0,1,0,0,0,1|2,0,0]=4 10201 B17R1.1304 CCCCCNCC(=O)N(C)c1ccccc1 2230a_200000174886_100000210326 [0,1,0,0,0,1|2,0,0]=4 10202 B17R1.1304 CCCCCNNC(=O)C(F)c1ccccc1 22a_100000694160_100000698975 [0,1,0,0,0,1|2,0,0]=4 10203 B17R1.1304 CCCCCNNC(=O)N(C)c1ccccc1 512a_100000694160_100000210012 [0,1,0,0,0,1|2,0,0]=4 10204 B17R1.1304 CCCCCNNC(=O)[C@@H](C)c1ccccc1 22a_100000694160_100000751047 [0,1,0,0,0,1|2,0,0]=4 10205 B17R1.1304 CCCCCNNC(=O)[C@H](O)c1ccccc1 22a_100000694160_100000684486 [0,1,0,0,0,1|2,0,0]=4 10206 B17R1.1304 CCCCCOCC(=O)N(C)c1ccccc1 34a_100000210253_100000183487 [0,1,0,0,0,1|2,0,0]=4 10207 B17R1.1304 CCCCCOCC(=O)N(C)c1ccccc1 7a_100000210253_100000183487 [0,1,0,0,0,1|2,0,0]=4 10208 B17R1.1304 CCCCCSCC(=O)N(C)c1ccccc1 62a_100000183487_100000210326 [0,1,0,0,0,1|2,0,0]=4 10209 B17R1.1304 CCCCCSCC(=O)N(C)c1ccccc1 62a_100000210326_100000183487 [0,1,0,0,0,1|2,0,0]=4 10210 B17R1.1304 CCCCNCCC(=O)N(C)c1ccccc1 2230a_100000102301_100000691765 [0,1,0,0,0,1|2,0,0]=4 10211 B17R1.1304 CCCCNCCC(=O)N(C)c1ccccc1 7a_106832991798_100000691765 [0,1,0,0,0,1|2,0,0]=4 10212 B17R1.1304 CCCCOCCC(=O)C(F)c1ccccc1 1458a_100000698975_100000743108 [0,1,0,0,0,1|2,0,0]=4 10213 B17R1.1304 CCCCOCCC(=O)N(C)c1ccccc1 34a_100000210227_100000691765 [0,1,0,0,0,1|2,0,0]=4 10214 B17R1.1304 CCCCOCCC(=O)N(C)c1ccccc1 7a_100000210227_100000691765 [0,1,0,0,0,1|2,0,0]=4 10215 B17R1.1304 CCCCOCCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000743108 [0,1,0,0,0,1|2,0,0]=4 10216 B17R1.1304 CCCCOCCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000743108 [0,1,0,0,0,1|2,0,0]=4 10217 B17R1.1304 CCCCSCCC(=O)N(C)c1ccccc1 62a_100000210211_100000691765 [0,1,0,0,0,1|2,0,0]=4 10218 B17R1.1304 CCCCSCCC(=O)N(C)c1ccccc1 62a_100000691765_100000210210 [0,1,0,0,0,1|2,0,0]=4 10219 B17R1.1304 CCCOCCNC(=O)C(F)c1ccccc1 1626a_100161115042_100000698975 [0,1,0,0,0,1|2,0,0]=4 10220 B17R1.1304 CCCOCCNC(=O)C(F)c1ccccc1 240690a_100161115042_100000698975 [0,1,0,0,0,1|2,0,0]=4 10221 B17R1.1304 CCCOCCNC(=O)C(F)c1ccccc1 527a_100161115042_100000698975 [0,1,0,0,0,1|2,0,0]=4 10222 B17R1.1304 CCCOCCNC(=O)N(C)c1ccccc1 512a_100161115042_100000210012 [0,1,0,0,0,1|2,0,0]=4 10223 B17R1.1304 CCCOCCNC(=O)[C@@H](C)c1ccccc1 1626a_100161115042_100000751047 [0,1,0,0,0,1|2,0,0]=4 10224 B17R1.1304 CCCOCCNC(=O)[C@@H](C)c1ccccc1 240690a_100161115042_100000751047 [0,1,0,0,0,1|2,0,0]=4 10225 B17R1.1304 CCCOCCNC(=O)[C@@H](C)c1ccccc1 527a_100161115042_100000751047 [0,1,0,0,0,1|2,0,0]=4 10226 B17R1.1304 CCCOCCNC(=O)[C@H](O)c1ccccc1 240690a_100161115042_100000684486 [0,1,0,0,0,1|2,0,0]=4 10227 B17R1.1304 CCCSCCNC(=O)C(F)c1ccccc1 11a_100020603323_100000698975 [0,1,0,0,0,1|2,0,0]=4 10228 B17R1.1304 CCCSCCNC(=O)C(F)c1ccccc1 240690a_100020603323_100000698975 [0,1,0,0,0,1|2,0,0]=4 10229 B17R1.1304 CCCSCCNC(=O)C(F)c1ccccc1 527a_100020603323_100000698975 [0,1,0,0,0,1|2,0,0]=4 10230 B17R1.1304 CCCSCCNC(=O)N(C)c1ccccc1 512a_100020603323_100000210012 [0,1,0,0,0,1|2,0,0]=4 10231 B17R1.1304 CCCSCCNC(=O)[C@@H](C)c1ccccc1 11a_100020603323_100000751047 [0,1,0,0,0,1|2,0,0]=4 10232 B17R1.1304 CCCSCCNC(=O)[C@@H](C)c1ccccc1 240690a_100020603323_100000751047 [0,1,0,0,0,1|2,0,0]=4 10233 B17R1.1304 CCCSCCNC(=O)[C@@H](C)c1ccccc1 527a_100020603323_100000751047 [0,1,0,0,0,1|2,0,0]=4 10234 B17R1.1304 CCCSCCNC(=O)[C@H](O)c1ccccc1 240690a_100020603323_100000684486 [0,1,0,0,0,1|2,0,0]=4 10235 B17R1.1304 CCOCCCNC(=O)C(F)c1ccccc1 11a_100000210961_100000698975 [0,1,0,0,0,1|2,0,0]=4 10236 B17R1.1304 CCOCCCNC(=O)C(F)c1ccccc1 1626a_100000210961_100000698975 [0,1,0,0,0,1|2,0,0]=4 10237 B17R1.1304 CCOCCCNC(=O)C(F)c1ccccc1 240690a_100000210961_100000698975 [0,1,0,0,0,1|2,0,0]=4 10238 B17R1.1304 CCOCCCNC(=O)C(F)c1ccccc1 527a_100000210961_100000698975 [0,1,0,0,0,1|2,0,0]=4 10239 B17R1.1304 CCOCCCNC(=O)N(C)c1ccccc1 512a_100000210961_100000210012 [0,1,0,0,0,1|2,0,0]=4 10240 B17R1.1304 CCOCCCNC(=O)[C@@H](C)c1ccccc1 11a_100000210961_100000751047 [0,1,0,0,0,1|2,0,0]=4 10241 B17R1.1304 CCOCCCNC(=O)[C@@H](C)c1ccccc1 1626a_100000210961_100000751047 [0,1,0,0,0,1|2,0,0]=4 10242 B17R1.1304 CCOCCCNC(=O)[C@@H](C)c1ccccc1 240690a_100000210961_100000751047 [0,1,0,0,0,1|2,0,0]=4 10243 B17R1.1304 CCOCCCNC(=O)[C@@H](C)c1ccccc1 527a_100000210961_100000751047 [0,1,0,0,0,1|2,0,0]=4 10244 B17R1.1304 CCOCCCNC(=O)[C@H](O)c1ccccc1 240690a_100000210961_100000684486 [0,1,0,0,0,1|2,0,0]=4 10245 B17R1.1304 CN(C(=O)NCCCCCO)c1ccccc1 512a_100000762737_100000210012 [0,1,0,0,0,1|2,0,0]=4 10246 B17R1.1304 COCCCCCC(=O)C(C)c1ccccc1 1458a_100011935119_100000230085 [0,1,0,0,0,1|2,0,0]=4 10247 B17R1.1304 COCCCCCC(=O)N(C)c1ccccc1 11a_100000210012_100011935119 [0,1,0,0,0,1|2,0,0]=4 10248 B17R1.1304 COCCCCCC(=O)N(C)c1ccccc1 1626a_100000210012_100011935119 [0,1,0,0,0,1|2,0,0]=4 10249 B17R1.1304 COCCCCCC(=O)N(C)c1ccccc1 22a_100000210012_100011935119 [0,1,0,0,0,1|2,0,0]=4 10250 B17R1.1304 C[C@H](C(=O)CCCCCCF)c1ccccc1 1458a_100000751047_100015922095 [0,1,0,0,0,1|2,0,0]=4 10251 B17R1.1304 C[C@H](C(=O)CCCCCCO)c1ccccc1 1458a_100000751047_100000766143 [0,1,0,0,0,1|2,0,0]=4 10252 B17R1.1304 C[C@H](C(=O)NCCCCCO)c1ccccc1 240690a_100000762737_100000751047 [0,1,0,0,0,1|2,0,0]=4 10253 B17R1.1304 O=C(CCCCCCF)C(F)c1ccccc1 1458a_100000698975_100015922095 [0,1,0,0,0,1|2,0,0]=4 10254 B17R1.1304 O=C(CCCCCCF)[C@H](O)c1ccccc1 1458a_100000684486_100015922095 [0,1,0,0,0,1|2,0,0]=4 10255 B17R1.1304 O=C(CCCCCCO)C(F)c1ccccc1 1458a_100000698975_100000766143 [0,1,0,0,0,1|2,0,0]=4 10256 B17R1.1304 O=C(CCCCCCO)[C@H](O)c1ccccc1 1458a_100000684486_100000766143 [0,1,0,0,0,1|2,0,0]=4 10257 B17R1.1304 O=C(NCCCCCO)C(F)c1ccccc1 240690a_100000762737_100000698975 [0,1,0,0,0,1|2,0,0]=4 10258 B17R1.1304 O=C(NCCCCCO)[C@H](O)c1ccccc1 240690a_100000762737_100000684486 [0,1,0,0,0,1|2,0,0]=4 10259 B17R1.1325 CC(Br)CCOCCC(=O)Nc1ccccc1 34a_100009893172_100000242058 [0,1,0,0,0,1|2,0,0]=4 10260 B17R1.1325 CC(Br)COCCCC(=O)Nc1ccccc1 34a_100012180447_100011194425 [0,1,0,0,0,1|2,0,0]=4 10261 B17R1.1325 CC(C)CCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210682 [0,1,0,0,0,1|2,0,0]=4 10262 B17R1.1325 CC(C)CCCCCC(=O)Cc1ccccc1 1458a_100000766313_100015291786 [0,1,0,0,0,1|1,0,0]=3 10263 B17R1.1325 CC(C)CCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210682 [0,1,0,0,0,1|2,0,0]=4 10264 B17R1.1325 CC(C)CCCCCC(=O)Cc1ccccn1 1458a_100000766313_100000721315 [0,1,0,0,0,1|2,0,0]=4 10265 B17R1.1325 CC(C)CCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210682 [0,1,0,0,0,1|2,0,0]=4 10266 B17R1.1325 CC(C)CCCCCC(=O)Cc1cccnc1 1458a_100000766313_100000733263 [0,1,0,0,0,1|2,0,0]=4 10267 B17R1.1325 CC(C)CCCCCC(=O)Cc1ccncc1 1458a_100000766313_100000705612 [0,1,0,0,0,1|2,0,0]=4 10268 B17R1.1325 CC(C)CCCCCC(=O)Nc1ccccc1 11a_100000106764_100000766313 [0,1,0,0,0,1|1,0,0]=3 10269 B17R1.1325 CC(C)CCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000766313 [0,1,0,0,0,1|1,0,0]=3 10270 B17R1.1325 CC(C)CCCCCC(=O)Nc1ccccc1 22a_100000106764_100000766313 [0,1,0,0,0,1|1,0,0]=3 10271 B17R1.1325 CC(C)CCCCCC(=O)Nc1ccccc1 527a_100000106764_100000766313 [0,1,0,0,0,1|1,0,0]=3 10272 B17R1.1325 CC(C)CCCCOC(C)Cc1ccccc1 34a_100000748627_100011216152 [0,1,0,0,0,1|1,0,1]=4 10273 B17R1.1325 CC(C)CCCCOC(C)Cc1ccccc1 34a_100011214890_200011218536 [0,1,0,0,0,1|1,0,1]=4 10274 B17R1.1325 CC(C)CCCCOC(C)Cc1ccccc1 7a_100000748627_100011216152 [0,1,0,0,0,1|1,0,1]=4 10275 B17R1.1325 CC(C)CCCCOC(C)Cc1ccccc1 7a_100011214890_200011218536 [0,1,0,0,0,1|1,0,1]=4 10276 B17R1.1325 CC(C)CCCNCC(=O)Cc1ccccc1 2230a_200000737386_100000233483 [0,1,0,0,0,1|2,0,0]=4 10277 B17R1.1325 CC(C)CCCNCC(=O)Nc1ccccc1 2230a_200000737386_100000182850 [0,1,0,0,0,1|2,0,0]=4 10278 B17R1.1325 CC(C)CCCNCC(=O)Nc1ccccc1 34a_200000737386_100000182850 [0,1,0,0,0,1|2,0,0]=4 10279 B17R1.1325 CC(C)CCCNCC(=O)Oc1ccccc1 2230a_200000737386_100009813826 [0,1,0,0,0,1|2,0,0]=4 10280 B17R1.1325 CC(C)CCCNCC(=O)Oc1ccccc1 34a_200000737386_100009813826 [0,1,0,0,0,1|2,0,0]=4 10281 B17R1.1325 CC(C)CCCOCC(=O)Cc1ccccc1 7a_100000210774_100000233483 [0,1,0,0,0,1|2,0,0]=4 10282 B17R1.1325 CC(C)CCCOCC(=O)Nc1ccccc1 34a_100000210774_100000182850 [0,1,0,0,0,1|2,0,0]=4 10283 B17R1.1325 CC(C)CCCOCC(=O)Nc1ccccc1 34a_100000246334_100011214892 [0,1,0,0,0,1|2,0,0]=4 10284 B17R1.1325 CC(C)CCCOCC(=O)Nc1ccccc1 7a_100000210774_100000182850 [0,1,0,0,0,1|2,0,0]=4 10285 B17R1.1325 CC(C)CCCOCC(=O)Oc1ccccc1 34a_100000210774_100009813826 [0,1,0,0,0,1|2,0,0]=4 10286 B17R1.1325 CC(C)CCCOCC(=O)Oc1ccccc1 7a_100000210774_100009813826 [0,1,0,0,0,1|2,0,0]=4 10287 B17R1.1325 CC(C)CCCSCC(=O)Cc1ccccc1 62a_100000233483_100011214892 [0,1,0,0,0,1|2,0,0]=4 10288 B17R1.1325 CC(C)CCCSCC(=O)Cc1ccccc1 62a_100011214892_100000233483 [0,1,0,0,0,1|2,0,0]=4 10289 B17R1.1325 CC(C)CCCSCC(=O)Nc1ccccc1 62a_100011214892_100000182850 [0,1,0,0,0,1|2,0,0]=4 10290 B17R1.1325 CC(C)CCCSCC(=O)Nc1ccccc1 62a_100012148978_100011214892 [0,1,0,0,0,1|2,0,0]=4 10291 B17R1.1325 CC(C)CCCSCC(=O)Oc1ccccc1 62a_100009813826_100011214892 [0,1,0,0,0,1|2,0,0]=4 10292 B17R1.1325 CC(C)CCCSCC(=O)Oc1ccccc1 62a_100011214892_100009813826 [0,1,0,0,0,1|2,0,0]=4 10293 B17R1.1325 CC(C)CCOCCC(=O)Nc1ccccc1 34a_100000210254_100000242058 [0,1,0,0,0,1|2,0,0]=4 10294 B17R1.1325 CC(C)CCOCCC(=O)Nc1ccccc1 7a_100000210254_100000242058 [0,1,0,0,0,1|2,0,0]=4 10295 B17R1.1325 CC(C)CCOCCC(=O)Oc1ccccc1 7a_100000210254_200000035796 [0,1,0,0,0,1|2,0,0]=4 10296 B17R1.1325 CC(C)CCSCCC(=O)Nc1ccccc1 62a_100000210312_100000242058 [0,1,0,0,0,1|2,0,0]=4 10297 B17R1.1325 CC(C)CCSCCC(=O)Oc1ccccc1 62a_100000210312_200000035796 [0,1,0,0,0,1|2,0,0]=4 10298 B17R1.1325 CC(C)CNCCCC(=O)Nc1ccccc1 2230a_100000210953_100011194425 [0,1,0,0,0,1|2,0,0]=4 10299 B17R1.1325 CC(C)CNCCCC(=O)Nc1ccccc1 270004a_100000750157_100000210432 [0,1,0,0,0,1|2,0,0]=4 10300 B17R1.1325 CC(C)CNCCCC(=O)Nc1ccccc1 34a_100000210953_100011194425 [0,1,0,0,0,1|2,0,0]=4 10301 B17R1.1325 CC(C)CNCCCC(=O)Nc1ccccc1 34a_100000750157_100000210624 [0,1,0,0,0,1|2,0,0]=4 10302 B17R1.1325 CC(C)COCCCC(=O)Nc1ccccc1 34a_100000210257_100011194425 [0,1,0,0,0,1|2,0,0]=4 10303 B17R1.1325 CC(C)CSCCCC(=O)Nc1ccccc1 62a_100000210624_100011194425 [0,1,0,0,0,1|2,0,0]=4 10304 B17R1.1325 CC(C)OCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000737246 [0,1,0,0,0,1|2,0,0]=4 10305 B17R1.1325 CC(F)COCCCC(=O)Nc1ccccc1 34a_100015925927_100011194425 [0,1,0,0,0,1|2,0,0]=4 10306 B17R1.1325 CC(O)CCCOCC(=O)Nc1ccccc1 34a_100000246334_200000718107 [0,1,0,0,0,1|2,0,0]=4 10307 B17R1.1325 CC(O)CCCSCC(=O)Cc1ccccc1 62a_100000233483_200000718107 [0,1,0,0,0,1|2,0,0]=4 10308 B17R1.1325 CC(O)CCCSCC(=O)Cc1ccccc1 62a_200000718107_100000233483 [0,1,0,0,0,1|2,0,0]=4 10309 B17R1.1325 CC(O)CCCSCC(=O)Nc1ccccc1 62a_100012148978_200000718107 [0,1,0,0,0,1|2,0,0]=4 10310 B17R1.1325 CC(O)CCCSCC(=O)Nc1ccccc1 62a_200000718107_100000182850 [0,1,0,0,0,1|2,0,0]=4 10311 B17R1.1325 CC(O)CCCSCC(=O)Oc1ccccc1 62a_100009813826_200000718107 [0,1,0,0,0,1|2,0,0]=4 10312 B17R1.1325 CC(O)CCCSCC(=O)Oc1ccccc1 62a_200000718107_100009813826 [0,1,0,0,0,1|2,0,0]=4 10313 B17R1.1325 CC(O)CCNCCC(=O)Nc1ccccc1 2230a_200000755665_100000242058 [0,1,0,0,0,1|2,0,0]=4 10314 B17R1.1325 CC(O)CCNCCC(=O)Oc1ccccc1 2230a_200000755665_200000035796 [0,1,0,0,0,1|2,0,0]=4 10315 B17R1.1325 CC(O)CCSCCC(=O)Nc1ccccc1 62a_100012276601_100000242058 [0,1,0,0,0,1|2,0,0]=4 10316 B17R1.1325 CC(O)CCSCCC(=O)Oc1ccccc1 62a_100012276601_200000035796 [0,1,0,0,0,1|2,0,0]=4 10317 B17R1.1325 CC(O)CNCCCC(=O)Nc1ccccc1 2230a_100000210904_100011194425 [0,1,0,0,0,1|2,0,0]=4 10318 B17R1.1325 CC(O)CNCCCC(=O)Nc1ccccc1 34a_100000210904_100011194425 [0,1,0,0,0,1|2,0,0]=4 10319 B17R1.1325 CC(O)CNCCCC(=O)Nc1ccccc1 34a_100000750157_100011218427 [0,1,0,0,0,1|2,0,0]=4 10320 B17R1.1325 CC(O)CSCCCC(=O)Nc1ccccc1 62a_100011218427_100011194425 [0,1,0,0,0,1|2,0,0]=4 10321 B17R1.1325 CN(C)CCCCNC(=O)Nc1ccccc1 2430a_100000106764_100025707445 [0,1,0,0,0,1|2,0,0]=4 10322 B17R1.1325 C[C@@H](Cl)COCCCC(=O)Nc1ccccc1 34a_100016084084_100011194425 [0,1,0,0,0,1|2,0,0]=4 10323 B17R1.1325 C[C@@H](N)CCOCCC(=O)Nc1ccccc1 34a_100000706166_100000242058 [0,1,0,0,0,1|2,0,0]=4 10324 B17R1.1325 C[C@@H](N)COCCCC(=O)Nc1ccccc1 34a_100000737577_100011194425 [0,1,0,0,0,1|2,0,0]=4 10325 B17R1.1325 C[C@@H](O)CNCCCC(=O)Nc1ccccc1 34a_100000750157_100009817552 [0,1,0,0,0,1|2,0,0]=4 10326 B17R1.1325 C[C@@H](O)CSCCCC(=O)Nc1ccccc1 62a_100009817552_100011194425 [0,1,0,0,0,1|2,0,0]=4 10327 B17R1.1448 CCCCCCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210757 [0,1,0,0,0,1|2,0,0]=4 10328 B17R1.1448 CCCCCCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210757 [0,1,0,0,0,1|2,0,0]=4 10329 B17R1.1448 CCCCCCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210757 [0,1,0,0,0,1|2,0,0]=4 10330 B17R1.1448 CCCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210757 [0,1,0,0,0,1|1,0,0]=3 10331 B17R1.1448 CCCCCCC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100011215978 [0,1,0,0,0,1|2,0,0]=4 10332 B17R1.1448 CCCCCCC(C)C(=O)Cc1ccccn1 1458a_100000233486_100011215978 [0,1,0,0,0,1|2,0,0]=4 10333 B17R1.1448 CCCCCCC(C)C(=O)Cc1cccnc1 1458a_100000737805_100011215978 [0,1,0,0,0,1|2,0,0]=4 10334 B17R1.1448 CCCCCCC(O)C(=O)Cc1ccccc1 1458a_100011215828_100015291786 [0,1,0,0,0,1|1,0,0]=3 10335 B17R1.1448 CCCCCCC(O)C(=O)Cc1ccccn1 1458a_100011215828_100000721315 [0,1,0,0,0,1|2,0,0]=4 10336 B17R1.1448 CCCCCCC(O)C(=O)Cc1cccnc1 1458a_100011215828_100000733263 [0,1,0,0,0,1|2,0,0]=4 10337 B17R1.1448 CCCCCCC(O)C(=O)Cc1ccncc1 1458a_100011215828_100000705612 [0,1,0,0,0,1|2,0,0]=4 10338 B17R1.1448 CCCCCCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011215828 [0,1,0,0,0,1|1,0,0]=3 10339 B17R1.1448 CCCCCCN(C)C(=O)C[n+]1ccccc1 11a_106256046315_200000086051 [0,1,0,0,0,1|2,0,0]=4 10340 B17R1.1448 CCCCCCN(C)C(=O)C[n+]1ccccc1 240690a_106256046315_200000086051 [0,1,0,0,0,1|2,0,0]=4 10341 B17R1.1448 CCCCCCN(C)C(=O)C[n+]1ccccc1 527a_106256046315_200000086051 [0,1,0,0,0,1|2,0,0]=4 10342 B17R1.1448 CCCCCCN(C)C(=O)Cc1ccccn1 11a_106256046315_100000233486 [0,1,0,0,0,1|2,0,0]=4 10343 B17R1.1448 CCCCCCN(C)C(=O)Cc1cccnc1 11a_106256046315_100000737805 [0,1,0,0,0,1|2,0,0]=4 10344 B17R1.1448 CCCCCCN(C)C(=O)Cc1cccnc1 240690a_106256046315_100000737805 [0,1,0,0,0,1|2,0,0]=4 10345 B17R1.1448 CCCCCCN(C)C(=O)Cc1cccnc1 527a_106256046315_100000737805 [0,1,0,0,0,1|2,0,0]=4 10346 B17R1.1448 CCCCCCN(C)C(=O)Cc1ccncc1 11a_106256046315_100011201483 [0,1,0,0,0,1|2,0,0]=4 10347 B17R1.1448 CCCCCCN(C)C(=O)Cc1ccncc1 240690a_106256046315_100011201483 [0,1,0,0,0,1|2,0,0]=4 10348 B17R1.1448 CCCCCCN(C)C(=O)Nc1ccccc1 2430a_100000106764_106256046315 [0,1,0,0,0,1|1,0,0]=3 10349 B17R1.1448 CCCCCNC(=O)C(=O)Nc1ccccc1 240690a_100000209983_100000738435 [0,1,0,0,0,1|2,0,0]=4 10350 B17R1.1448 CCCCCNC(C)C(=O)Nc1ccccc1 2230a_100000209983_100000183986 [0,1,0,0,0,1|2,0,0]=4 10351 B17R1.1448 CCCCCNC(C)C(=O)Nc1ccccc1 2230a_100000754830_100000210326 [0,1,0,0,0,1|2,0,0]=4 10352 B17R1.1448 CCCCCNC(C)C(=O)Nc1ccccc1 34a_100000754830_100000718602 [0,1,0,0,0,1|2,0,0]=4 10353 B17R1.1448 CCCCCOC(C)C(=O)Nc1ccccc1 34a_100000210253_100000183986 [0,1,0,0,0,1|2,0,0]=4 10354 B17R1.1448 CCCCCOC(C)C(=O)Nc1ccccc1 7a_100000210253_100000183986 [0,1,0,0,0,1|2,0,0]=4 10355 B17R1.1448 CCCCCSC(C)C(=O)Nc1ccccc1 62a_100000183986_100000210326 [0,1,0,0,0,1|2,0,0]=4 10356 B17R1.1448 CCCCCSC(C)C(=O)Nc1ccccc1 62a_100000210326_100000183986 [0,1,0,0,0,1|2,0,0]=4 10357 B17R1.1448 CCCCOCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011995733 [0,1,0,0,0,1|2,0,0]=4 10358 B17R1.1448 CCCOCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100011215938 [0,1,0,0,0,1|2,0,0]=4 10359 B17R1.1448 CCOCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100012232248 [0,1,0,0,0,1|2,0,0]=4 10360 B17R1.1448 CN(CCCCCO)C(=O)Nc1ccccc1 2430a_100000106764_100000722520 [0,1,0,0,0,1|2,0,0]=4 10361 B17R1.1448 COCCCCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000755781 [0,1,0,0,0,1|2,0,0]=4 10362 B17R1.1448 O=C(CCCCCF)C(=O)Nc1ccccc1 1458a_100000738435_100000729378 [0,1,0,0,0,1|2,0,0]=4 10363 B17R1.1448 O=C(CCCCCO)C(=O)Nc1ccccc1 1458a_100000738435_100000746330 [0,1,0,0,0,1|2,0,0]=4 10364 B17R1.1561 CCCCC(=O)CCC(=O)Nc1ccccc1 1458a_100000180958_100000210211 [0,1,0,0,0,1|1,0,1]=4 10365 B17R1.1561 CCCCC(=O)CCC(=O)Nc1ccccc1 1458a_100000210183_100000242058 [0,1,0,0,0,1|1,0,1]=4 10366 B17R1.1561 CCCCC(=O)CCC(=O)Oc1ccccc1 1458a_100000210183_200000035796 [0,1,0,0,0,1|1,0,1]=4 10367 B17R1.1561 CCCCC(=O)CNC(=O)Cc1ccccc1 1458a_100000184600_100000210211 [0,1,0,0,0,1|1,0,1]=4 10368 B17R1.1561 CCCCC(=O)CNC(=O)Nc1ccccc1 1458a_100000181911_100000210211 [0,1,0,0,0,1|1,0,1]=4 10369 B17R1.1561 CCCCC(C)CCC(=O)Cc1ccccc1 1458a_100000033779_100015291786 [0,1,0,0,0,1|1,0,0]=3 10370 B17R1.1561 CCCCC(C)CCC(=O)Cc1ccccn1 1458a_100000033779_100000721315 [0,1,0,0,0,1|2,0,0]=4 10371 B17R1.1561 CCCCC(C)CCC(=O)Cc1cccnc1 1458a_100000033779_100000733263 [0,1,0,0,0,1|2,0,0]=4 10372 B17R1.1561 CCCCC(C)CCC(=O)Cc1ccncc1 1458a_100000033779_100000705612 [0,1,0,0,0,1|2,0,0]=4 10373 B17R1.1561 CCCCC(C)CCC(=O)Nc1ccccc1 11a_100000106764_100000033779 [0,1,0,0,0,1|1,0,0]=3 10374 B17R1.1561 CCCCC(C)CCC(=O)Nc1ccccc1 1626a_100000106764_100000033779 [0,1,0,0,0,1|1,0,0]=3 10375 B17R1.1561 CCCCC(C)CCC(=O)Nc1ccccc1 22a_100000106764_100000033779 [0,1,0,0,0,1|1,0,0]=3 10376 B17R1.1561 CCCCC(C)CCC(=O)Nc1ccccc1 527a_100000106764_100000033779 [0,1,0,0,0,1|1,0,0]=3 10377 B17R1.1561 CCCCC(C)COC(C)Cc1ccccc1 34a_100011995851_200011218536 [0,1,0,0,0,1|1,0,1]=4 10378 B17R1.1561 CCCCC(C)COC(C)Cc1ccccc1 7a_100011995851_200011218536 [0,1,0,0,0,1|1,0,1]=4 10379 B17R1.1561 CCCCC(C)NCC(=O)Cc1ccccc1 2230a_100000126638_100000233483 [0,1,0,0,0,1|2,0,0]=4 10380 B17R1.1561 CCCCC(C)NCC(=O)Nc1ccccc1 2230a_100000126638_100000182850 [0,1,0,0,0,1|2,0,0]=4 10381 B17R1.1561 CCCCC(C)NCC(=O)Nc1ccccc1 270004a_100000742222_100000210087 [0,1,0,0,0,1|2,0,0]=4 10382 B17R1.1561 CCCCC(C)NCC(=O)Oc1ccccc1 2230a_100000126638_100009813826 [0,1,0,0,0,1|2,0,0]=4 10383 B17R1.1561 CCCCC(C)OCC(=O)Cc1ccccc1 7a_100000687866_100000233483 [0,1,0,0,0,1|2,0,0]=4 10384 B17R1.1561 CCCCC(C)OCC(=O)Nc1ccccc1 34a_100000246334_200011215066 [0,1,0,0,0,1|2,0,0]=4 10385 B17R1.1561 CCCCC(C)OCC(=O)Nc1ccccc1 34a_100000687866_100000182850 [0,1,0,0,0,1|2,0,0]=4 10386 B17R1.1561 CCCCC(C)OCC(=O)Nc1ccccc1 7a_100000687866_100000182850 [0,1,0,0,0,1|2,0,0]=4 10387 B17R1.1561 CCCCC(C)OCC(=O)Oc1ccccc1 34a_100000687866_100009813826 [0,1,0,0,0,1|2,0,0]=4 10388 B17R1.1561 CCCCC(C)OCC(=O)Oc1ccccc1 7a_100000687866_100009813826 [0,1,0,0,0,1|2,0,0]=4 10389 B17R1.1561 CCCCC(C)SCC(=O)Cc1ccccc1 62a_100000233483_200011215066 [0,1,0,0,0,1|2,0,0]=4 10390 B17R1.1561 CCCCC(C)SCC(=O)Cc1ccccc1 62a_200011215066_100000233483 [0,1,0,0,0,1|2,0,0]=4 10391 B17R1.1561 CCCCC(C)SCC(=O)Nc1ccccc1 62a_100012148978_200011215066 [0,1,0,0,0,1|2,0,0]=4 10392 B17R1.1561 CCCCC(C)SCC(=O)Nc1ccccc1 62a_200011215066_100000182850 [0,1,0,0,0,1|2,0,0]=4 10393 B17R1.1561 CCCCC(C)SCC(=O)Oc1ccccc1 62a_100009813826_200011215066 [0,1,0,0,0,1|2,0,0]=4 10394 B17R1.1561 CCCCC(C)SCC(=O)Oc1ccccc1 62a_200011215066_100009813826 [0,1,0,0,0,1|2,0,0]=4 10395 B17R1.1561 CCCCN(C)CCC(=O)Nc1ccccc1 2230a_100000207549_100000242058 [0,1,0,0,0,1|2,0,0]=4 10396 B17R1.1561 CCCCN(C)CCC(=O)Nc1ccccc1 269982a_100000207549_100000242058 [0,1,0,0,0,1|2,0,0]=4 10397 B17R1.1561 CCCCN(C)CCC(=O)Oc1ccccc1 2230a_100000207549_200000035796 [0,1,0,0,0,1|2,0,0]=4 10398 B17R1.1561 CCCCN(C)CCC(=O)Oc1ccccc1 269982a_100000207549_200000035796 [0,1,0,0,0,1|2,0,0]=4 10399 B17R1.1561 CCCC[C@H](N)COC(C)Cc1ccccc1 34a_100011934283_200011218536 [0,1,0,0,0,1|1,0,1]=4 10400 B17R1.1561 CCCOC(C)CNC(=O)Nc1ccccc1 2430a_100000106764_100015185124 [0,1,0,0,0,1|2,0,0]=4 10401 B17R1.1561 CCOCC(O)CNC(=O)Nc1ccccc1 2430a_100000106764_102515437182 [0,1,0,0,0,1|2,0,0]=4 10402 B17R1.1561 C[C@H](CCCO)CNC(=O)Nc1ccccc1 2430a_100000106764_100160569302 [0,1,0,0,0,1|2,0,0]=4 10403 B17R1.1650 CCCC(=O)CCCC(=O)Nc1ccccc1 1458a_100000211992_100011194425 [0,1,0,0,0,1|1,0,1]=4 10404 B17R1.1650 CCCC(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_100000210303 [0,1,0,0,0,1|1,0,1]=4 10405 B17R1.1650 CCCC(C)CCOC(C)Cc1ccccc1 34a_100011217855_200011218536 [0,1,0,0,0,1|1,0,1]=4 10406 B17R1.1650 CCCC(C)CCOC(C)Cc1ccccc1 7a_100011217855_200011218536 [0,1,0,0,0,1|1,0,1]=4 10407 B17R1.1650 CCCC(C)CNCC(=O)Nc1ccccc1 270004a_100000742222_100000243154 [0,1,0,0,0,1|2,0,0]=4 10408 B17R1.1650 CCCC(C)COCC(=O)Cc1ccccc1 7a_100000688023_100000233483 [0,1,0,0,0,1|2,0,0]=4 10409 B17R1.1650 CCCC(C)COCC(=O)Nc1ccccc1 34a_100000246334_100011216630 [0,1,0,0,0,1|2,0,0]=4 10410 B17R1.1650 CCCC(C)COCC(=O)Nc1ccccc1 34a_100000688023_100000182850 [0,1,0,0,0,1|2,0,0]=4 10411 B17R1.1650 CCCC(C)COCC(=O)Nc1ccccc1 7a_100000688023_100000182850 [0,1,0,0,0,1|2,0,0]=4 10412 B17R1.1650 CCCC(C)COCC(=O)Oc1ccccc1 34a_100000688023_100009813826 [0,1,0,0,0,1|2,0,0]=4 10413 B17R1.1650 CCCC(C)COCC(=O)Oc1ccccc1 7a_100000688023_100009813826 [0,1,0,0,0,1|2,0,0]=4 10414 B17R1.1650 CCCC(C)CSCC(=O)Cc1ccccc1 62a_100000233483_100011216630 [0,1,0,0,0,1|2,0,0]=4 10415 B17R1.1650 CCCC(C)CSCC(=O)Cc1ccccc1 62a_100011216630_100000233483 [0,1,0,0,0,1|2,0,0]=4 10416 B17R1.1650 CCCC(C)CSCC(=O)Nc1ccccc1 62a_100011216630_100000182850 [0,1,0,0,0,1|2,0,0]=4 10417 B17R1.1650 CCCC(C)CSCC(=O)Nc1ccccc1 62a_100012148978_100011216630 [0,1,0,0,0,1|2,0,0]=4 10418 B17R1.1650 CCCC(C)CSCC(=O)Oc1ccccc1 62a_100009813826_100011216630 [0,1,0,0,0,1|2,0,0]=4 10419 B17R1.1650 CCCC(C)CSCC(=O)Oc1ccccc1 62a_100011216630_100009813826 [0,1,0,0,0,1|2,0,0]=4 10420 B17R1.1650 CCCC(C)NCCC(=O)Nc1ccccc1 2230a_100000741246_100000242058 [0,1,0,0,0,1|2,0,0]=4 10421 B17R1.1650 CCCC(C)NCCC(=O)Oc1ccccc1 2230a_100000741246_200000035796 [0,1,0,0,0,1|2,0,0]=4 10422 B17R1.1650 CCCC(C)OCCC(=O)Nc1ccccc1 34a_100000764384_100000242058 [0,1,0,0,0,1|2,0,0]=4 10423 B17R1.1650 CCCC(C)OCCC(=O)Nc1ccccc1 7a_100000764384_100000242058 [0,1,0,0,0,1|2,0,0]=4 10424 B17R1.1650 CCCC(C)OCCC(=O)Oc1ccccc1 7a_100000764384_200000035796 [0,1,0,0,0,1|2,0,0]=4 10425 B17R1.1650 CCCC(C)SCCC(=O)Nc1ccccc1 62a_100000766640_100000242058 [0,1,0,0,0,1|2,0,0]=4 10426 B17R1.1650 CCCC(C)SCCC(=O)Oc1ccccc1 62a_100000766640_200000035796 [0,1,0,0,0,1|2,0,0]=4 10427 B17R1.1650 CCCN(C)CCCC(=O)Nc1ccccc1 2230a_100000747261_100011194425 [0,1,0,0,0,1|2,0,0]=4 10428 B17R1.1650 CCCN(C)CCCC(=O)Nc1ccccc1 269982a_100000747261_100011194425 [0,1,0,0,0,1|2,0,0]=4 10429 B17R1.1650 CCC[C@H](N)CCOC(C)Cc1ccccc1 34a_100015193777_200011218536 [0,1,0,0,0,1|1,0,1]=4 10430 B17R1.1650 CCC[C@H](N)COCC(=O)Nc1ccccc1 34a_100000732646_100000182850 [0,1,0,0,0,1|2,0,0]=4 10431 B17R1.1650 CCC[C@H](N)COCC(=O)Oc1ccccc1 34a_100000732646_100009813826 [0,1,0,0,0,1|2,0,0]=4 10432 B17R1.1889 CCCCCC(=O)CC(=O)Cc1ccccc1 1458a_100000212188_100000233483 [0,1,0,0,0,1|1,0,1]=4 10433 B17R1.1889 CCCCCC(=O)CC(=O)Nc1ccccc1 1458a_100000212188_100000182850 [0,1,0,0,0,1|1,0,1]=4 10434 B17R1.1889 CCCCCC(=O)CC(=O)Oc1ccccc1 1458a_100000212188_100009813826 [0,1,0,0,0,1|1,0,1]=4 10435 B17R1.1889 CCCCCC(C)NC(=O)C[n+]1ccccc1 11a_100000211957_200000086051 [0,1,0,0,0,1|2,0,0]=4 10436 B17R1.1889 CCCCCC(C)NC(=O)C[n+]1ccccc1 240690a_100000211957_200000086051 [0,1,0,0,0,1|2,0,0]=4 10437 B17R1.1889 CCCCCC(C)NC(=O)C[n+]1ccccc1 527a_100000211957_200000086051 [0,1,0,0,0,1|2,0,0]=4 10438 B17R1.1889 CCCCCC(C)NC(=O)Cc1ccccn1 11a_100000211957_100000233486 [0,1,0,0,0,1|2,0,0]=4 10439 B17R1.1889 CCCCCC(C)NC(=O)Cc1cccnc1 11a_100000211957_100000737805 [0,1,0,0,0,1|2,0,0]=4 10440 B17R1.1889 CCCCCC(C)NC(=O)Cc1cccnc1 240690a_100000211957_100000737805 [0,1,0,0,0,1|2,0,0]=4 10441 B17R1.1889 CCCCCC(C)NC(=O)Cc1cccnc1 527a_100000211957_100000737805 [0,1,0,0,0,1|2,0,0]=4 10442 B17R1.1889 CCCCCC(C)NC(=O)Cc1ccncc1 11a_100000211957_100011201483 [0,1,0,0,0,1|2,0,0]=4 10443 B17R1.1889 CCCCCC(C)NC(=O)Cc1ccncc1 240690a_100000211957_100011201483 [0,1,0,0,0,1|2,0,0]=4 10444 B17R1.1889 CCCCCC(C)NC(=O)Nc1ccccc1 2430a_100000106764_100000211957 [0,1,0,0,0,1|1,0,0]=3 10445 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 34a_100000748627_200011218191 [0,1,0,0,0,1|1,0,1]=4 10446 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 34a_100011215632_200011218536 [0,1,0,0,0,1|1,0,1]=4 10447 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 7a_100000748627_200011218191 [0,1,0,0,0,1|1,0,1]=4 10448 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 7a_100011215632_200011218536 [0,1,0,0,0,1|1,0,1]=4 10449 B17R1.1889 CCCCCN(C)CC(=O)Cc1ccccc1 2230a_100000223495_100000233483 [0,1,0,0,0,1|2,0,0]=4 10450 B17R1.1889 CCCCCN(C)CC(=O)Cc1ccccc1 269982a_100000223495_100000233483 [0,1,0,0,0,1|2,0,0]=4 10451 B17R1.1889 CCCCCN(C)CC(=O)Nc1ccccc1 2230a_100000223495_100000182850 [0,1,0,0,0,1|2,0,0]=4 10452 B17R1.1889 CCCCCN(C)CC(=O)Nc1ccccc1 269982a_100000223495_100000182850 [0,1,0,0,0,1|2,0,0]=4 10453 B17R1.1889 CCCCCN(C)CC(=O)Oc1ccccc1 2230a_100000223495_100009813826 [0,1,0,0,0,1|2,0,0]=4 10454 B17R1.1889 CCCCCN(C)CC(=O)Oc1ccccc1 269982a_100000223495_100009813826 [0,1,0,0,0,1|2,0,0]=4 10455 B17R1.9274 CCCCCC#CC(=O)Cc1ccccc1Br 1458a_100011215388_100000184730 [0,1,0,0,0,1|1,0,1]=4 10456 B17R1.9274 CCCCCC#CC(=O)Cc1ccccc1C 1458a_100011215388_100000211839 [0,1,0,0,0,1|1,0,1]=4 10457 B17R1.9274 CCCCCC#CC(=O)Cc1ccccc1Cl 1458a_100011215388_100000187162 [0,1,0,0,0,1|1,0,1]=4 10458 B17R1.9274 CCCCCC#CC(=O)Cc1ccccc1F 1458a_100011215388_100000187165 [0,1,0,0,0,1|1,0,1]=4 10459 B17R1.9274 CCCCCC#CC(=O)Cc1ccccc1I 1458a_100011215388_100011216222 [0,1,0,0,0,1|1,0,1]=4 10460 B17R1.9274 CCCCCC#CC(=O)Nc1ccccc1C 22a_100015192222_100011215388 [0,1,0,0,0,1|1,0,1]=4 10461 B17R1.9274 CCCCCC#CC(=O)Nc1ccccc1Cl 22a_100000185783_100011215388 [0,1,0,0,0,1|1,0,1]=4 10462 B17R1.9274 CCCCCC#CC(=O)Nc1ccccc1F 22a_100000210422_100011215388 [0,1,0,0,0,1|1,0,1]=4 10463 B17R1.9274 CCCCCC#CC(=O)Nc1ccccc1O 22a_100000185747_100011215388 [0,1,0,0,0,1|1,0,1]=4 10464 B17R1.9274 CCCCCC=CC(=O)Cc1ccccc1Br 1458a_100016263427_100000184730 [0,1,0,0,0,1|1,0,1]=4 10465 B17R1.9274 CCCCCC=CC(=O)Cc1ccccc1C 1458a_100016263427_100000211839 [0,1,0,0,0,1|1,0,1]=4 10466 B17R1.9274 CCCCCC=CC(=O)Cc1ccccc1Cl 1458a_100016263427_100000187162 [0,1,0,0,0,1|1,0,1]=4 10467 B17R1.9274 CCCCCC=CC(=O)Cc1ccccc1F 1458a_100016263427_100000187165 [0,1,0,0,0,1|1,0,1]=4 10468 B17R1.9274 CCCCCC=CC(=O)Cc1ccccc1I 1458a_100016263427_100011216222 [0,1,0,0,0,1|1,0,1]=4 10469 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1Br 11a_100000210017_100016263427 [0,1,0,0,0,1|1,0,1]=4 10470 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100016263427 [0,1,0,0,0,1|1,0,1]=4 10471 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1C 11a_100015192222_100016263427 [0,1,0,0,0,1|1,0,1]=4 10472 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1C 1626a_100015192222_100016263427 [0,1,0,0,0,1|1,0,1]=4 10473 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1C 22a_100015192222_100016263427 [0,1,0,0,0,1|1,0,1]=4 10474 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100016263427 [0,1,0,0,0,1|1,0,1]=4 10475 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100016263427 [0,1,0,0,0,1|1,0,1]=4 10476 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100016263427 [0,1,0,0,0,1|1,0,1]=4 10477 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1F 11a_100000210422_100016263427 [0,1,0,0,0,1|1,0,1]=4 10478 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1F 1626a_100000210422_100016263427 [0,1,0,0,0,1|1,0,1]=4 10479 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1F 22a_100000210422_100016263427 [0,1,0,0,0,1|1,0,1]=4 10480 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1I 11a_100000210053_100016263427 [0,1,0,0,0,1|1,0,1]=4 10481 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1I 1626a_100000210053_100016263427 [0,1,0,0,0,1|1,0,1]=4 10482 B17R1.9274 CCCCCC=CC(=O)Nc1ccccc1O 22a_100000185747_100016263427 [0,1,0,0,0,1|1,0,1]=4 10483 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1Br 1458a_100000211969_100000184730 [0,1,0,0,0,1|1,0,0]=3 10484 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210614 [0,1,0,0,0,1|1,0,0]=3 10485 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1C 1458a_100000211969_100000211839 [0,1,0,0,0,1|1,0,0]=3 10486 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1C 1458a_100000212180_100000210614 [0,1,0,0,0,1|1,0,0]=3 10487 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210614 [0,1,0,0,0,1|1,0,0]=3 10488 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1Cl 1458a_100000211969_100000187162 [0,1,0,0,0,1|1,0,0]=3 10489 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1F 1458a_100000211969_100000187165 [0,1,0,0,0,1|1,0,0]=3 10490 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1F 1458a_100000212012_100000210614 [0,1,0,0,0,1|1,0,0]=3 10491 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1I 1458a_100000036491_100000210614 [0,1,0,0,0,1|1,0,0]=3 10492 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1I 1458a_100000211969_100011216222 [0,1,0,0,0,1|1,0,0]=3 10493 B17R1.9274 CCCCCCCC(=O)Cc1ccccc1O 1458a_100000743006_100000210614 [0,1,0,0,0,1|1,0,0]=3 10494 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1Br 1458a_100000211969_100010140945 [0,1,0,0,0,1|2,0,0]=4 10495 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1C 1458a_100000211969_100000732876 [0,1,0,0,0,1|2,0,0]=4 10496 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000093521_100000210614 [0,1,0,0,0,1|2,0,0]=4 10497 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1Cl 1458a_100000211969_100000045678 [0,1,0,0,0,1|2,0,0]=4 10498 B17R1.9274 CCCCCCCC(=O)Cc1cccnc1F 1458a_100000211969_100000099810 [0,1,0,0,0,1|2,0,0]=4 10499 B17R1.9274 CCCCCCCC(=O)Cc1ccncc1C 1458a_100000211969_100020672808 [0,1,0,0,0,1|2,0,0]=4 10500 B17R1.9274 CCCCCCCC(=O)Cc1ccncc1Cl 1458a_100000211969_100000763264 [0,1,0,0,0,1|2,0,0]=4 10501 B17R1.9274 CCCCCCCC(=O)Cc1cnccc1C 1458a_100000211969_100000690890 [0,1,0,0,0,1|2,0,0]=4 10502 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Br 1458a_100000211969_100025702911 [0,1,0,0,0,1|2,0,0]=4 10503 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Br 1458a_200012357574_100000210614 [0,1,0,0,0,1|2,0,0]=4 10504 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1C 1458a_100000211969_100000696600 [0,1,0,0,0,1|2,0,0]=4 10505 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1C 1458a_200000722269_100000210614 [0,1,0,0,0,1|2,0,0]=4 10506 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Cl 1458a_100000211969_100000099807 [0,1,0,0,0,1|2,0,0]=4 10507 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1Cl 1458a_100011998755_100000210614 [0,1,0,0,0,1|2,0,0]=4 10508 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1F 1458a_100000211969_100000104219 [0,1,0,0,0,1|2,0,0]=4 10509 B17R1.9274 CCCCCCCC(=O)Cc1ncccc1O 1458a_100000211969_200020655725 [0,1,0,0,0,1|2,0,0]=4 10510 B17R1.9274 CCCCCCCC(=O)Cn1ccccc1=O 1458a_100000189665_100000210614 [0,1,0,0,0,1|2,0,0]=4 10511 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1Br 11a_100000210017_100000211969 [0,1,0,0,0,1|1,0,0]=3 10512 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1Br 1626a_100000210017_100000211969 [0,1,0,0,0,1|1,0,0]=3 10513 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1C 11a_100015192222_100000211969 [0,1,0,0,0,1|1,0,0]=3 10514 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1C 1626a_100015192222_100000211969 [0,1,0,0,0,1|1,0,0]=3 10515 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1C 22a_100015192222_100000211969 [0,1,0,0,0,1|1,0,0]=3 10516 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1C 527a_100015192222_100000211969 [0,1,0,0,0,1|1,0,0]=3 10517 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211969 [0,1,0,0,0,1|1,0,0]=3 10518 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211969 [0,1,0,0,0,1|1,0,0]=3 10519 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211969 [0,1,0,0,0,1|1,0,0]=3 10520 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211969 [0,1,0,0,0,1|1,0,0]=3 10521 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1F 11a_100000210422_100000211969 [0,1,0,0,0,1|1,0,0]=3 10522 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1F 1626a_100000210422_100000211969 [0,1,0,0,0,1|1,0,0]=3 10523 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1F 22a_100000210422_100000211969 [0,1,0,0,0,1|1,0,0]=3 10524 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1F 527a_100000210422_100000211969 [0,1,0,0,0,1|1,0,0]=3 10525 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1I 11a_100000210053_100000211969 [0,1,0,0,0,1|1,0,0]=3 10526 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1I 1626a_100000210053_100000211969 [0,1,0,0,0,1|1,0,0]=3 10527 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1O 22a_100000185747_100000211969 [0,1,0,0,0,1|1,0,0]=3 10528 B17R1.9274 CCCCCCCC(=O)Nc1ccccc1O 527a_100000185747_100000211969 [0,1,0,0,0,1|1,0,0]=3 10529 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Br 11a_100000210581_100000751119 [0,1,0,0,0,1|1,0,0]=3 10530 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Br 240690a_100000210581_100000751119 [0,1,0,0,0,1|1,0,0]=3 10531 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Br 527a_100000210581_100000751119 [0,1,0,0,0,1|1,0,0]=3 10532 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1C 11a_100000210581_100000212180 [0,1,0,0,0,1|1,0,0]=3 10533 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1C 1626a_100000210581_100000212180 [0,1,0,0,0,1|1,0,0]=3 10534 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1C 240690a_100000210581_100000212180 [0,1,0,0,0,1|1,0,0]=3 10535 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1C 527a_100000210581_100000212180 [0,1,0,0,0,1|1,0,0]=3 10536 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Cl 11a_100000210581_100000183793 [0,1,0,0,0,1|1,0,0]=3 10537 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Cl 1626a_100000210581_100000183793 [0,1,0,0,0,1|1,0,0]=3 10538 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Cl 240690a_100000210581_100000183793 [0,1,0,0,0,1|1,0,0]=3 10539 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1Cl 527a_100000210581_100000183793 [0,1,0,0,0,1|1,0,0]=3 10540 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1F 11a_100000210581_100000212012 [0,1,0,0,0,1|1,0,0]=3 10541 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1F 1626a_100000210581_100000212012 [0,1,0,0,0,1|1,0,0]=3 10542 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1F 240690a_100000210581_100000212012 [0,1,0,0,0,1|1,0,0]=3 10543 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1F 527a_100000210581_100000212012 [0,1,0,0,0,1|1,0,0]=3 10544 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1I 11a_100000210581_100000036491 [0,1,0,0,0,1|1,0,0]=3 10545 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1I 1626a_100000210581_100000036491 [0,1,0,0,0,1|1,0,0]=3 10546 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1I 240690a_100000210581_100000036491 [0,1,0,0,0,1|1,0,0]=3 10547 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1I 527a_100000210581_100000036491 [0,1,0,0,0,1|1,0,0]=3 10548 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1O 240690a_100000210581_100000743006 [0,1,0,0,0,1|1,0,0]=3 10549 B17R1.9274 CCCCCCNC(=O)Cc1ccccc1O 527a_100000210581_100000743006 [0,1,0,0,0,1|1,0,0]=3 10550 B17R1.9274 CCCCCCNC(=O)Cc1cccnc1Cl 11a_100000210581_100000093521 [0,1,0,0,0,1|2,0,0]=4 10551 B17R1.9274 CCCCCCNC(=O)Cc1cccnc1Cl 1626a_100000210581_100000093521 [0,1,0,0,0,1|2,0,0]=4 10552 B17R1.9274 CCCCCCNC(=O)Cc1cccnc1Cl 240690a_100000210581_100000093521 [0,1,0,0,0,1|2,0,0]=4 10553 B17R1.9274 CCCCCCNC(=O)Cc1cccnc1Cl 527a_100000210581_100000093521 [0,1,0,0,0,1|2,0,0]=4 10554 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1Br 11a_100000210581_200012357574 [0,1,0,0,0,1|2,0,0]=4 10555 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1Br 240690a_100000210581_200012357574 [0,1,0,0,0,1|2,0,0]=4 10556 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1C 11a_100000210581_200000722269 [0,1,0,0,0,1|2,0,0]=4 10557 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1C 1626a_100000210581_200000722269 [0,1,0,0,0,1|2,0,0]=4 10558 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1C 240690a_100000210581_200000722269 [0,1,0,0,0,1|2,0,0]=4 10559 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1Cl 11a_100000210581_100011998755 [0,1,0,0,0,1|2,0,0]=4 10560 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1Cl 240690a_100000210581_100011998755 [0,1,0,0,0,1|2,0,0]=4 10561 B17R1.9274 CCCCCCNC(=O)Cc1ncccc1Cl 527a_100000210581_100011998755 [0,1,0,0,0,1|2,0,0]=4 10562 B17R1.9274 CCCCCCNC(=O)Cn1ccccc1=O 1626a_100000210581_100000189665 [0,1,0,0,0,1|2,0,0]=4 10563 B17R1.9274 CCCCCCNC(=O)Cn1ccccc1=O 240690a_100000210581_100000189665 [0,1,0,0,0,1|2,0,0]=4 10564 B17R1.9274 CCCCCCNC(=O)Cn1ccccc1=O 527a_100000210581_100000189665 [0,1,0,0,0,1|2,0,0]=4 10565 B17R1.9274 CCCCCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000210581 [0,1,0,0,0,1|1,0,0]=3 10566 B17R1.9274 CCCCCCNC(=O)Nc1ccccc1C 2430a_100015192222_100000210581 [0,1,0,0,0,1|1,0,0]=3 10567 B17R1.9274 CCCCCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000210581 [0,1,0,0,0,1|1,0,0]=3 10568 B17R1.9274 CCCCCCNC(=O)Nc1ccccc1F 2430a_100000210422_100000210581 [0,1,0,0,0,1|1,0,0]=3 10569 B17R1.9274 CCCCCCNC(=O)Nc1ccccc1I 2430a_100000210053_100000210581 [0,1,0,0,0,1|1,0,0]=3 10570 B17R1.9274 CCCCCCNC(=O)Nc1ccccc1O 2430a_100000185747_100000210581 [0,1,0,0,0,1|1,0,0]=3 10571 B17R1.9274 CCCCCNCC(=O)Cc1ccccc1Br 2230a_100000209983_100000700504 [0,1,0,0,0,1|2,0,0]=4 10572 B17R1.9274 CCCCCNCC(=O)Cc1ccccc1C 2230a_100000209983_100011223134 [0,1,0,0,0,1|2,0,0]=4 10573 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1Br 2230a_100000209983_100000182372 [0,1,0,0,0,1|2,0,0]=4 10574 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1Br 2230a_100000683505_100000210326 [0,1,0,0,0,1|2,0,0]=4 10575 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1C 2230a_100000209983_100000183529 [0,1,0,0,0,1|2,0,0]=4 10576 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1C 2230a_100015186652_100000210326 [0,1,0,0,0,1|2,0,0]=4 10577 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1Cl 2230a_100000209983_100000182448 [0,1,0,0,0,1|2,0,0]=4 10578 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1F 2230a_100000209983_100000182988 [0,1,0,0,0,1|2,0,0]=4 10579 B17R1.9274 CCCCCNCC(=O)Nc1ccccc1I 2230a_100000209983_100000180142 [0,1,0,0,0,1|2,0,0]=4 10580 B17R1.9274 CCCCCNNC(=O)Cc1ccccc1Br 22a_100000694160_100000751119 [0,1,0,0,0,1|2,0,0]=4 10581 B17R1.9274 CCCCCNNC(=O)Cc1ccccc1C 22a_100000694160_100000212180 [0,1,0,0,0,1|2,0,0]=4 10582 B17R1.9274 CCCCCNNC(=O)Cc1ccccc1Cl 22a_100000694160_100000183793 [0,1,0,0,0,1|2,0,0]=4 10583 B17R1.9274 CCCCCNNC(=O)Cc1ccccc1F 22a_100000694160_100000212012 [0,1,0,0,0,1|2,0,0]=4 10584 B17R1.9274 CCCCCNNC(=O)Cc1ccccc1I 22a_100000694160_100000036491 [0,1,0,0,0,1|2,0,0]=4 10585 B17R1.9274 CCCCCNNC(=O)Cc1ccccc1O 22a_100000694160_100000743006 [0,1,0,0,0,1|2,0,0]=4 10586 B17R1.9274 CCCCCOCC(=O)Cc1ccccc1Br 34a_100000210253_100000700504 [0,1,0,0,0,1|2,0,0]=4 10587 B17R1.9274 CCCCCOCC(=O)Cc1ccccc1Br 7a_100000210253_100000700504 [0,1,0,0,0,1|2,0,0]=4 10588 B17R1.9274 CCCCCOCC(=O)Cc1ccccc1C 7a_100000210253_100011223134 [0,1,0,0,0,1|2,0,0]=4 10589 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1Br 7a_100000210253_100000182372 [0,1,0,0,0,1|2,0,0]=4 10590 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1C 34a_100000210253_100000183529 [0,1,0,0,0,1|2,0,0]=4 10591 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1C 7a_100000210253_100000183529 [0,1,0,0,0,1|2,0,0]=4 10592 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1Cl 34a_100000210253_100000182448 [0,1,0,0,0,1|2,0,0]=4 10593 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1Cl 7a_100000210253_100000182448 [0,1,0,0,0,1|2,0,0]=4 10594 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1F 34a_100000210253_100000243840 [0,1,0,0,0,1|2,0,0]=4 10595 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1F 7a_100000210253_100000182988 [0,1,0,0,0,1|2,0,0]=4 10596 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1I 34a_100000210253_100000180142 [0,1,0,0,0,1|2,0,0]=4 10597 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1I 7a_100000210253_100000180142 [0,1,0,0,0,1|2,0,0]=4 10598 B17R1.9274 CCCCCOCC(=O)Nc1ccccc1O 7a_100000210253_100000014494 [0,1,0,0,0,1|2,0,0]=4 10599 B17R1.9274 CCCCCSCC(=O)Cc1ccccc1Br 62a_100000210326_100000700504 [0,1,0,0,0,1|2,0,0]=4 10600 B17R1.9274 CCCCCSCC(=O)Cc1ccccc1Br 62a_100000700504_100000210326 [0,1,0,0,0,1|2,0,0]=4 10601 B17R1.9274 CCCCCSCC(=O)Cc1ccccc1C 62a_100000210326_100011223134 [0,1,0,0,0,1|2,0,0]=4 10602 B17R1.9274 CCCCCSCC(=O)Cc1ccccc1C 62a_100011223134_100000210326 [0,1,0,0,0,1|2,0,0]=4 10603 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1Br 62a_100000182372_100000210326 [0,1,0,0,0,1|2,0,0]=4 10604 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1Br 62a_100000210326_100000182372 [0,1,0,0,0,1|2,0,0]=4 10605 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1C 62a_100000210326_100000183529 [0,1,0,0,0,1|2,0,0]=4 10606 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1Cl 62a_100000210326_100000182448 [0,1,0,0,0,1|2,0,0]=4 10607 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1Cl 62a_200011202291_100000210326 [0,1,0,0,0,1|2,0,0]=4 10608 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1F 62a_100000182988_100000210326 [0,1,0,0,0,1|2,0,0]=4 10609 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1F 62a_100000210326_100000182988 [0,1,0,0,0,1|2,0,0]=4 10610 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1I 62a_100000180142_100000210326 [0,1,0,0,0,1|2,0,0]=4 10611 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1I 62a_100000210326_100000180142 [0,1,0,0,0,1|2,0,0]=4 10612 B17R1.9274 CCCCCSCC(=O)Nc1ccccc1O 62a_100000210326_100000014494 [0,1,0,0,0,1|2,0,0]=4 10613 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1Br 2230a_100000102301_100000181489 [0,1,0,0,0,1|2,0,0]=4 10614 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1Br 7a_106832991798_100000181489 [0,1,0,0,0,1|2,0,0]=4 10615 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1C 2230a_100000102301_200011206476 [0,1,0,0,0,1|2,0,0]=4 10616 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1C 2230a_200015185780_100000210211 [0,1,0,0,0,1|2,0,0]=4 10617 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1C 34a_200015185780_100000210210 [0,1,0,0,0,1|2,0,0]=4 10618 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1C 7a_106832991798_200011206476 [0,1,0,0,0,1|2,0,0]=4 10619 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1Cl 2230a_100000102301_100000242055 [0,1,0,0,0,1|2,0,0]=4 10620 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1Cl 7a_106832991798_100000242055 [0,1,0,0,0,1|2,0,0]=4 10621 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1F 2230a_100000102301_100000242066 [0,1,0,0,0,1|2,0,0]=4 10622 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1F 2230a_100015185137_100000210211 [0,1,0,0,0,1|2,0,0]=4 10623 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1F 34a_100015185137_100000210210 [0,1,0,0,0,1|2,0,0]=4 10624 B17R1.9274 CCCCNCCC(=O)Nc1ccccc1F 7a_106832991798_100000242066 [0,1,0,0,0,1|2,0,0]=4 10625 B17R1.9274 CCCCOCCC(=O)Cc1ccccc1Br 1458a_100000751119_100000743108 [0,1,0,0,0,1|2,0,0]=4 10626 B17R1.9274 CCCCOCCC(=O)Cc1ccccc1C 1458a_100000212180_100000743108 [0,1,0,0,0,1|2,0,0]=4 10627 B17R1.9274 CCCCOCCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000743108 [0,1,0,0,0,1|2,0,0]=4 10628 B17R1.9274 CCCCOCCC(=O)Cc1ccccc1F 1458a_100000212012_100000743108 [0,1,0,0,0,1|2,0,0]=4 10629 B17R1.9274 CCCCOCCC(=O)Cc1ccccc1I 1458a_100000036491_100000743108 [0,1,0,0,0,1|2,0,0]=4 10630 B17R1.9274 CCCCOCCC(=O)Cc1ccccc1O 1458a_100000743006_100000743108 [0,1,0,0,0,1|2,0,0]=4 10631 B17R1.9274 CCCCOCCC(=O)Nc1ccccc1Br 7a_100000210227_100000181489 [0,1,0,0,0,1|2,0,0]=4 10632 B17R1.9274 CCCCOCCC(=O)Nc1ccccc1C 7a_100000210227_200011206476 [0,1,0,0,0,1|2,0,0]=4 10633 B17R1.9274 CCCCOCCC(=O)Nc1ccccc1Cl 7a_100000210227_100000242055 [0,1,0,0,0,1|2,0,0]=4 10634 B17R1.9274 CCCCOCCC(=O)Nc1ccccc1F 7a_100000210227_100000242066 [0,1,0,0,0,1|2,0,0]=4 10635 B17R1.9274 CCCCSCCC(=O)Nc1ccccc1Br 62a_100000181489_100000210210 [0,1,0,0,0,1|2,0,0]=4 10636 B17R1.9274 CCCCSCCC(=O)Nc1ccccc1Br 62a_100000210211_100000181489 [0,1,0,0,0,1|2,0,0]=4 10637 B17R1.9274 CCCCSCCC(=O)Nc1ccccc1C 62a_100000210211_200011206476 [0,1,0,0,0,1|2,0,0]=4 10638 B17R1.9274 CCCCSCCC(=O)Nc1ccccc1Cl 62a_100000210211_100000242055 [0,1,0,0,0,1|2,0,0]=4 10639 B17R1.9274 CCCCSCCC(=O)Nc1ccccc1F 62a_100000210211_100000242066 [0,1,0,0,0,1|2,0,0]=4 10640 B17R1.9274 CCCCSCCC(=O)Nc1ccccc1F 62a_100011216740_100000210210 [0,1,0,0,0,1|2,0,0]=4 10641 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1Br 240690a_100161115042_100000751119 [0,1,0,0,0,1|2,0,0]=4 10642 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1Br 527a_100161115042_100000751119 [0,1,0,0,0,1|2,0,0]=4 10643 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1C 1626a_100161115042_100000212180 [0,1,0,0,0,1|2,0,0]=4 10644 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1C 240690a_100161115042_100000212180 [0,1,0,0,0,1|2,0,0]=4 10645 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1C 527a_100161115042_100000212180 [0,1,0,0,0,1|2,0,0]=4 10646 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1Cl 1626a_100161115042_100000183793 [0,1,0,0,0,1|2,0,0]=4 10647 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1Cl 240690a_100161115042_100000183793 [0,1,0,0,0,1|2,0,0]=4 10648 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1Cl 527a_100161115042_100000183793 [0,1,0,0,0,1|2,0,0]=4 10649 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1F 1626a_100161115042_100000212012 [0,1,0,0,0,1|2,0,0]=4 10650 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1F 240690a_100161115042_100000212012 [0,1,0,0,0,1|2,0,0]=4 10651 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1F 527a_100161115042_100000212012 [0,1,0,0,0,1|2,0,0]=4 10652 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1I 1626a_100161115042_100000036491 [0,1,0,0,0,1|2,0,0]=4 10653 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1I 240690a_100161115042_100000036491 [0,1,0,0,0,1|2,0,0]=4 10654 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1I 527a_100161115042_100000036491 [0,1,0,0,0,1|2,0,0]=4 10655 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1O 240690a_100161115042_100000743006 [0,1,0,0,0,1|2,0,0]=4 10656 B17R1.9274 CCCOCCNC(=O)Cc1ccccc1O 527a_100161115042_100000743006 [0,1,0,0,0,1|2,0,0]=4 10657 B17R1.9274 CCCOCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100161115042 [0,1,0,0,0,1|2,0,0]=4 10658 B17R1.9274 CCCOCCNC(=O)Nc1ccccc1C 2430a_100015192222_100161115042 [0,1,0,0,0,1|2,0,0]=4 10659 B17R1.9274 CCCOCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100161115042 [0,1,0,0,0,1|2,0,0]=4 10660 B17R1.9274 CCCOCCNC(=O)Nc1ccccc1F 2430a_100000210422_100161115042 [0,1,0,0,0,1|2,0,0]=4 10661 B17R1.9274 CCCOCCNC(=O)Nc1ccccc1I 2430a_100000210053_100161115042 [0,1,0,0,0,1|2,0,0]=4 10662 B17R1.9274 CCCOCCNC(=O)Nc1ccccc1O 2430a_100000185747_100161115042 [0,1,0,0,0,1|2,0,0]=4 10663 B17R1.9274 CCCOCCOC(=O)Nc1ccccc1Br 34a_100000210258_100020589338 [0,1,0,0,0,1|1,0,0]=3 10664 B17R1.9274 CCCOCCOC(=O)Nc1ccccc1Cl 34a_100000210258_200000178450 [0,1,0,0,0,1|1,0,0]=3 10665 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1Br 11a_100020603323_100000751119 [0,1,0,0,0,1|2,0,0]=4 10666 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1Br 240690a_100020603323_100000751119 [0,1,0,0,0,1|2,0,0]=4 10667 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1Br 527a_100020603323_100000751119 [0,1,0,0,0,1|2,0,0]=4 10668 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1C 11a_100020603323_100000212180 [0,1,0,0,0,1|2,0,0]=4 10669 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1C 240690a_100020603323_100000212180 [0,1,0,0,0,1|2,0,0]=4 10670 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1C 527a_100020603323_100000212180 [0,1,0,0,0,1|2,0,0]=4 10671 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1Cl 11a_100020603323_100000183793 [0,1,0,0,0,1|2,0,0]=4 10672 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1Cl 240690a_100020603323_100000183793 [0,1,0,0,0,1|2,0,0]=4 10673 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1Cl 527a_100020603323_100000183793 [0,1,0,0,0,1|2,0,0]=4 10674 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1F 11a_100020603323_100000212012 [0,1,0,0,0,1|2,0,0]=4 10675 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1F 240690a_100020603323_100000212012 [0,1,0,0,0,1|2,0,0]=4 10676 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1F 527a_100020603323_100000212012 [0,1,0,0,0,1|2,0,0]=4 10677 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1I 11a_100020603323_100000036491 [0,1,0,0,0,1|2,0,0]=4 10678 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1I 240690a_100020603323_100000036491 [0,1,0,0,0,1|2,0,0]=4 10679 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1I 527a_100020603323_100000036491 [0,1,0,0,0,1|2,0,0]=4 10680 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1O 240690a_100020603323_100000743006 [0,1,0,0,0,1|2,0,0]=4 10681 B17R1.9274 CCCSCCNC(=O)Cc1ccccc1O 527a_100020603323_100000743006 [0,1,0,0,0,1|2,0,0]=4 10682 B17R1.9274 CCCSCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100020603323 [0,1,0,0,0,1|2,0,0]=4 10683 B17R1.9274 CCCSCCNC(=O)Nc1ccccc1C 2430a_100015192222_100020603323 [0,1,0,0,0,1|2,0,0]=4 10684 B17R1.9274 CCCSCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100020603323 [0,1,0,0,0,1|2,0,0]=4 10685 B17R1.9274 CCCSCCNC(=O)Nc1ccccc1F 2430a_100000210422_100020603323 [0,1,0,0,0,1|2,0,0]=4 10686 B17R1.9274 CCCSCCNC(=O)Nc1ccccc1I 2430a_100000210053_100020603323 [0,1,0,0,0,1|2,0,0]=4 10687 B17R1.9274 CCCSCCNC(=O)Nc1ccccc1O 2430a_100000185747_100020603323 [0,1,0,0,0,1|2,0,0]=4 10688 B17R1.9274 CCCSCCOC(=O)Nc1ccccc1Br 62a_100000210303_100020589338 [0,1,0,0,0,1|1,0,0]=3 10689 B17R1.9274 CCCSCCOC(=O)Nc1ccccc1Br 62a_100020589338_100000210303 [0,1,0,0,0,1|1,0,0]=3 10690 B17R1.9274 CCCSCCOC(=O)Nc1ccccc1Cl 62a_100000210303_200000178450 [0,1,0,0,0,1|1,0,0]=3 10691 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Br 11a_100000210961_100000751119 [0,1,0,0,0,1|2,0,0]=4 10692 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Br 240690a_100000210961_100000751119 [0,1,0,0,0,1|2,0,0]=4 10693 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Br 527a_100000210961_100000751119 [0,1,0,0,0,1|2,0,0]=4 10694 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1C 11a_100000210961_100000212180 [0,1,0,0,0,1|2,0,0]=4 10695 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1C 1626a_100000210961_100000212180 [0,1,0,0,0,1|2,0,0]=4 10696 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1C 240690a_100000210961_100000212180 [0,1,0,0,0,1|2,0,0]=4 10697 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1C 527a_100000210961_100000212180 [0,1,0,0,0,1|2,0,0]=4 10698 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Cl 11a_100000210961_100000183793 [0,1,0,0,0,1|2,0,0]=4 10699 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Cl 1626a_100000210961_100000183793 [0,1,0,0,0,1|2,0,0]=4 10700 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Cl 240690a_100000210961_100000183793 [0,1,0,0,0,1|2,0,0]=4 10701 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1Cl 527a_100000210961_100000183793 [0,1,0,0,0,1|2,0,0]=4 10702 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1F 11a_100000210961_100000212012 [0,1,0,0,0,1|2,0,0]=4 10703 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1F 1626a_100000210961_100000212012 [0,1,0,0,0,1|2,0,0]=4 10704 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1F 240690a_100000210961_100000212012 [0,1,0,0,0,1|2,0,0]=4 10705 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1F 527a_100000210961_100000212012 [0,1,0,0,0,1|2,0,0]=4 10706 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1I 11a_100000210961_100000036491 [0,1,0,0,0,1|2,0,0]=4 10707 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1I 1626a_100000210961_100000036491 [0,1,0,0,0,1|2,0,0]=4 10708 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1I 240690a_100000210961_100000036491 [0,1,0,0,0,1|2,0,0]=4 10709 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1I 527a_100000210961_100000036491 [0,1,0,0,0,1|2,0,0]=4 10710 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1O 240690a_100000210961_100000743006 [0,1,0,0,0,1|2,0,0]=4 10711 B17R1.9274 CCOCCCNC(=O)Cc1ccccc1O 527a_100000210961_100000743006 [0,1,0,0,0,1|2,0,0]=4 10712 B17R1.9274 CCOCCCNC(=O)Nc1ccccc1Br 2430a_100000210017_100000210961 [0,1,0,0,0,1|2,0,0]=4 10713 B17R1.9274 CCOCCCNC(=O)Nc1ccccc1C 2430a_100015192222_100000210961 [0,1,0,0,0,1|2,0,0]=4 10714 B17R1.9274 CCOCCCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100000210961 [0,1,0,0,0,1|2,0,0]=4 10715 B17R1.9274 CCOCCCNC(=O)Nc1ccccc1F 2430a_100000210422_100000210961 [0,1,0,0,0,1|2,0,0]=4 10716 B17R1.9274 CCOCCCNC(=O)Nc1ccccc1I 2430a_100000210053_100000210961 [0,1,0,0,0,1|2,0,0]=4 10717 B17R1.9274 CCOCCCNC(=O)Nc1ccccc1O 2430a_100000185747_100000210961 [0,1,0,0,0,1|2,0,0]=4 10718 B17R1.9274 COCCCCCC(=O)Cc1ccccc1Br 1458a_100011935119_100000184730 [0,1,0,0,0,1|2,0,0]=4 10719 B17R1.9274 COCCCCCC(=O)Cc1ccccc1C 1458a_100011935119_100000211839 [0,1,0,0,0,1|2,0,0]=4 10720 B17R1.9274 COCCCCCC(=O)Cc1ccccc1Cl 1458a_100011935119_100000187162 [0,1,0,0,0,1|2,0,0]=4 10721 B17R1.9274 COCCCCCC(=O)Cc1ccccc1F 1458a_100011935119_100000187165 [0,1,0,0,0,1|2,0,0]=4 10722 B17R1.9274 COCCCCCC(=O)Cc1ccccc1I 1458a_100011935119_100011216222 [0,1,0,0,0,1|2,0,0]=4 10723 B17R1.9274 COCCCCCC(=O)Nc1ccccc1Br 11a_100000210017_100011935119 [0,1,0,0,0,1|2,0,0]=4 10724 B17R1.9274 COCCCCCC(=O)Nc1ccccc1Br 1626a_100000210017_100011935119 [0,1,0,0,0,1|2,0,0]=4 10725 B17R1.9274 COCCCCCC(=O)Nc1ccccc1C 11a_100015192222_100011935119 [0,1,0,0,0,1|2,0,0]=4 10726 B17R1.9274 COCCCCCC(=O)Nc1ccccc1C 1626a_100015192222_100011935119 [0,1,0,0,0,1|2,0,0]=4 10727 B17R1.9274 COCCCCCC(=O)Nc1ccccc1C 22a_100015192222_100011935119 [0,1,0,0,0,1|2,0,0]=4 10728 B17R1.9274 COCCCCCC(=O)Nc1ccccc1C 527a_100015192222_100011935119 [0,1,0,0,0,1|2,0,0]=4 10729 B17R1.9274 COCCCCCC(=O)Nc1ccccc1Cl 11a_100000185783_100011935119 [0,1,0,0,0,1|2,0,0]=4 10730 B17R1.9274 COCCCCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100011935119 [0,1,0,0,0,1|2,0,0]=4 10731 B17R1.9274 COCCCCCC(=O)Nc1ccccc1Cl 22a_100000185783_100011935119 [0,1,0,0,0,1|2,0,0]=4 10732 B17R1.9274 COCCCCCC(=O)Nc1ccccc1Cl 527a_100000185783_100011935119 [0,1,0,0,0,1|2,0,0]=4 10733 B17R1.9274 COCCCCCC(=O)Nc1ccccc1F 11a_100000210422_100011935119 [0,1,0,0,0,1|2,0,0]=4 10734 B17R1.9274 COCCCCCC(=O)Nc1ccccc1F 1626a_100000210422_100011935119 [0,1,0,0,0,1|2,0,0]=4 10735 B17R1.9274 COCCCCCC(=O)Nc1ccccc1F 22a_100000210422_100011935119 [0,1,0,0,0,1|2,0,0]=4 10736 B17R1.9274 COCCCCCC(=O)Nc1ccccc1F 527a_100000210422_100011935119 [0,1,0,0,0,1|2,0,0]=4 10737 B17R1.9274 COCCCCCC(=O)Nc1ccccc1I 11a_100000210053_100011935119 [0,1,0,0,0,1|2,0,0]=4 10738 B17R1.9274 COCCCCCC(=O)Nc1ccccc1I 1626a_100000210053_100011935119 [0,1,0,0,0,1|2,0,0]=4 10739 B17R1.9274 COCCCCCC(=O)Nc1ccccc1O 22a_100000185747_100011935119 [0,1,0,0,0,1|2,0,0]=4 10740 B17R1.9274 COCCCCCC(=O)Nc1ccccc1O 527a_100000185747_100011935119 [0,1,0,0,0,1|2,0,0]=4 10741 B17R1.9274 COCSCCOC(=O)Nc1ccccc1Br 62a_100000766300_100020589338 [0,1,0,0,0,1|2,0,0]=4 10742 B17R1.9274 COCSCCOC(=O)Nc1ccccc1Br 62a_100020589338_100000766300 [0,1,0,0,0,1|2,0,0]=4 10743 B17R1.9274 COCSCCOC(=O)Nc1ccccc1Cl 62a_100000766300_200000178450 [0,1,0,0,0,1|2,0,0]=4 10744 B17R1.9274 CSCSCCOC(=O)Nc1ccccc1Br 62a_100011218213_100020589338 [0,1,0,0,0,1|2,0,0]=4 10745 B17R1.9274 CSCSCCOC(=O)Nc1ccccc1Br 62a_100020589338_100011218213 [0,1,0,0,0,1|2,0,0]=4 10746 B17R1.9274 CSCSCCOC(=O)Nc1ccccc1Cl 62a_100011218213_200000178450 [0,1,0,0,0,1|2,0,0]=4 10747 B17R1.9274 Cc1ccccc1CC(=O)CCCCCCF 1458a_100000212180_100015922095 [0,1,0,0,0,1|2,0,0]=4 10748 B17R1.9274 Cc1ccccc1CC(=O)CCCCCCO 1458a_100000212180_100000766143 [0,1,0,0,0,1|2,0,0]=4 10749 B17R1.9274 Cc1ccccc1CC(=O)CCCCCCO 1458a_100011996774_100000211839 [0,1,0,0,0,1|2,0,0]=4 10750 B17R1.9274 Cc1ccccc1CC(=O)NCCCCCO 240690a_100000762737_100000212180 [0,1,0,0,0,1|2,0,0]=4 10751 B17R1.9274 Cc1ccccc1NC(=O)NCCCCCO 2430a_100015192222_100000762737 [0,1,0,0,0,1|2,0,0]=4 10752 B17R1.9274 NCCOCCOC(=O)Nc1ccccc1Br 34a_100000210304_100020589338 [0,1,0,0,0,1|2,0,0]=4 10753 B17R1.9274 NCCOCCOC(=O)Nc1ccccc1Cl 34a_100000210304_200000178450 [0,1,0,0,0,1|2,0,0]=4 10754 B17R1.9274 O=C(CCCCCCF)Cc1ccccc1Br 1458a_100000751119_100015922095 [0,1,0,0,0,1|2,0,0]=4 10755 B17R1.9274 O=C(CCCCCCF)Cc1ccccc1Cl 1458a_100000183793_100015922095 [0,1,0,0,0,1|2,0,0]=4 10756 B17R1.9274 O=C(CCCCCCF)Cc1ccccc1F 1458a_100000212012_100015922095 [0,1,0,0,0,1|2,0,0]=4 10757 B17R1.9274 O=C(CCCCCCF)Cc1ccccc1I 1458a_100000036491_100015922095 [0,1,0,0,0,1|2,0,0]=4 10758 B17R1.9274 O=C(CCCCCCF)Cc1ccccc1O 1458a_100000743006_100015922095 [0,1,0,0,0,1|2,0,0]=4 10759 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1Br 1458a_100000751119_100000766143 [0,1,0,0,0,1|2,0,0]=4 10760 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1Br 1458a_100011996774_100000184730 [0,1,0,0,0,1|2,0,0]=4 10761 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1Cl 1458a_100000183793_100000766143 [0,1,0,0,0,1|2,0,0]=4 10762 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1Cl 1458a_100011996774_100000187162 [0,1,0,0,0,1|2,0,0]=4 10763 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1F 1458a_100000212012_100000766143 [0,1,0,0,0,1|2,0,0]=4 10764 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1F 1458a_100011996774_100000187165 [0,1,0,0,0,1|2,0,0]=4 10765 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1I 1458a_100000036491_100000766143 [0,1,0,0,0,1|2,0,0]=4 10766 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1I 1458a_100011996774_100011216222 [0,1,0,0,0,1|2,0,0]=4 10767 B17R1.9274 O=C(CCCCCCO)Cc1ccccc1O 1458a_100000743006_100000766143 [0,1,0,0,0,1|2,0,0]=4 10768 B17R1.9274 O=C(Cc1ccccc1Br)NCCCCCO 240690a_100000762737_100000751119 [0,1,0,0,0,1|2,0,0]=4 10769 B17R1.9274 O=C(Cc1ccccc1Cl)NCCCCCO 240690a_100000762737_100000183793 [0,1,0,0,0,1|2,0,0]=4 10770 B17R1.9274 O=C(Cc1ccccc1F)NCCCCCO 240690a_100000762737_100000212012 [0,1,0,0,0,1|2,0,0]=4 10771 B17R1.9274 O=C(Cc1ccccc1I)NCCCCCO 240690a_100000762737_100000036491 [0,1,0,0,0,1|2,0,0]=4 10772 B17R1.9274 O=C(Cc1ccccc1O)NCCCCCO 240690a_100000762737_100000743006 [0,1,0,0,0,1|2,0,0]=4 10773 B17R1.9274 O=C(NCCCCCO)Nc1ccccc1Br 2430a_100000210017_100000762737 [0,1,0,0,0,1|2,0,0]=4 10774 B17R1.9274 O=C(NCCCCCO)Nc1ccccc1Cl 2430a_100000185783_100000762737 [0,1,0,0,0,1|2,0,0]=4 10775 B17R1.9274 O=C(NCCCCCO)Nc1ccccc1F 2430a_100000210422_100000762737 [0,1,0,0,0,1|2,0,0]=4 10776 B17R1.9274 O=C(NCCCCCO)Nc1ccccc1I 2430a_100000210053_100000762737 [0,1,0,0,0,1|2,0,0]=4 10777 B17R1.9274 O=C(NCCCCCO)Nc1ccccc1O 2430a_100000185747_100000762737 [0,1,0,0,0,1|2,0,0]=4 10778 B17R1.9274 O=C(Nc1ccccc1Br)OCCNCCF 34a_100000724931_100020589338 [0,1,0,0,0,1|2,0,0]=4 10779 B17R1.9274 O=C(Nc1ccccc1Br)OCCNCCO 34a_100016990907_100020589338 [0,1,0,0,0,1|2,0,0]=4 10780 B17R1.9274 O=C(Nc1ccccc1Br)OCCOCCBr 34a_100000211926_100020589338 [0,1,0,0,0,1|2,0,0]=4 10781 B17R1.9274 O=C(Nc1ccccc1Br)OCCSCCF 62a_100011217306_100020589338 [0,1,0,0,0,1|2,0,0]=4 10782 B17R1.9274 O=C(Nc1ccccc1Br)OCCSCCF 62a_100020589338_100011217306 [0,1,0,0,0,1|2,0,0]=4 10783 B17R1.9274 O=C(Nc1ccccc1Br)OCCSCCO 62a_100000211926_100020589338 [0,1,0,0,0,1|2,0,0]=4 10784 B17R1.9274 O=C(Nc1ccccc1Br)OCCSCCO 62a_100020589338_100000211926 [0,1,0,0,0,1|2,0,0]=4 10785 B17R1.9274 O=C(Nc1ccccc1Cl)OCCNCCF 34a_100000724931_200000178450 [0,1,0,0,0,1|2,0,0]=4 10786 B17R1.9274 O=C(Nc1ccccc1Cl)OCCNCCO 34a_100016990907_200000178450 [0,1,0,0,0,1|2,0,0]=4 10787 B17R1.9274 O=C(Nc1ccccc1Cl)OCCOCCBr 34a_100000211926_200000178450 [0,1,0,0,0,1|2,0,0]=4 10788 B17R1.9274 O=C(Nc1ccccc1Cl)OCCSCCF 62a_100011217306_200000178450 [0,1,0,0,0,1|2,0,0]=4 10789 B17R1.9274 O=C(Nc1ccccc1Cl)OCCSCCO 62a_100000211926_200000178450 [0,1,0,0,0,1|2,0,0]=4 10790 B17R1.25169 CCCCCCNS(=O)(=O)Cc1ccccc1 270084a_100000210581_100000211737 [0,1,0,0,0,1|2,0,0]=4 10791 B17R1.25169 CCCCCCNS(=O)(=O)Cc1ccccc1 274078a_100000210581_100000211737 [0,1,0,0,0,1|2,0,0]=4 10792 B17R1.25169 CCCCCCNS(=O)(=O)Cc1ccccc1 40a_100000210581_100000235865 [0,1,0,0,0,1|2,0,0]=4 10793 B17R1.25169 CCCCCCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210314 [0,1,0,0,0,1|1,0,1]=4 10794 B17R1.25169 CCCCCCOC(F)(F)Oc1ccccc1 7a_100000210259_200000057402 [0,1,0,0,0,1|1,0,1]=4 10795 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000185839_200012276598 [0,2,0,0,0,0|1,0,1]=4 10796 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Br 1458a_100000212188_100000188085 [0,2,0,0,0,0|1,0,1]=4 10797 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000188618_200012276598 [0,2,0,0,0,0|1,0,1]=4 10798 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)C 1458a_100000212188_100000211441 [0,2,0,0,0,0|1,0,1]=4 10799 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200012276598 [0,2,0,0,0,0|1,0,1]=4 10800 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)Cl 1458a_100000212188_100000211071 [0,2,0,0,0,0|1,0,1]=4 10801 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000187176_200012276598 [0,2,0,0,0,0|1,0,1]=4 10802 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000212188_100000211279 [0,2,0,0,0,0|1,0,1]=4 10803 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000187904_200012276598 [0,2,0,0,0,0|1,0,1]=4 10804 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)I 1458a_100000212188_100011216261 [0,2,0,0,0,0|1,0,1]=4 10805 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212099_200012276598 [0,2,0,0,0,0|1,0,1]=4 10806 B17R1.24 CCCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000212188_100009814261 [0,2,0,0,0,0|1,0,1]=4 10807 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Br 11a_100000211957_100000185839 [0,2,0,0,0,0|1,0,0]=3 10808 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Br 1626a_100000211957_100000185839 [0,2,0,0,0,0|1,0,0]=3 10809 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Br 240690a_100000211957_100000185839 [0,2,0,0,0,0|1,0,0]=3 10810 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Br 527a_100000211957_100000185839 [0,2,0,0,0,0|1,0,0]=3 10811 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)C 11a_100000211957_100000188618 [0,2,0,0,0,0|1,0,0]=3 10812 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)C 1626a_100000211957_100000188618 [0,2,0,0,0,0|1,0,0]=3 10813 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)C 240690a_100000211957_100000188618 [0,2,0,0,0,0|1,0,0]=3 10814 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)C 527a_100000211957_100000188618 [0,2,0,0,0,0|1,0,0]=3 10815 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Cl 11a_100000211957_100000210187 [0,2,0,0,0,0|1,0,0]=3 10816 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Cl 1626a_100000211957_100000210187 [0,2,0,0,0,0|1,0,0]=3 10817 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Cl 240690a_100000211957_100000210187 [0,2,0,0,0,0|1,0,0]=3 10818 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)Cl 527a_100000211957_100000210187 [0,2,0,0,0,0|1,0,0]=3 10819 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)F 11a_100000211957_100000187176 [0,2,0,0,0,0|1,0,0]=3 10820 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)F 1626a_100000211957_100000187176 [0,2,0,0,0,0|1,0,0]=3 10821 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)F 240690a_100000211957_100000187176 [0,2,0,0,0,0|1,0,0]=3 10822 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)F 527a_100000211957_100000187176 [0,2,0,0,0,0|1,0,0]=3 10823 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)I 11a_100000211957_100000187904 [0,2,0,0,0,0|1,0,0]=3 10824 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)I 1626a_100000211957_100000187904 [0,2,0,0,0,0|1,0,0]=3 10825 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)I 240690a_100000211957_100000187904 [0,2,0,0,0,0|1,0,0]=3 10826 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)I 527a_100000211957_100000187904 [0,2,0,0,0,0|1,0,0]=3 10827 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)O 240690a_100000211957_100000212099 [0,2,0,0,0,0|1,0,0]=3 10828 B17R1.24 CCCCCC(C)NC(=O)c1ccc(cc1)O 527a_100000211957_100000212099 [0,2,0,0,0,0|1,0,0]=3 10829 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)Br 34a_100000745893_200011218191 [0,2,0,0,0,0|1,0,1]=4 10830 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)Br 34a_100011215632_100000755118 [0,2,0,0,0,0|1,0,1]=4 10831 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)Br 7a_100000745893_200011218191 [0,2,0,0,0,0|1,0,1]=4 10832 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)C 34a_100011215632_100011261388 [0,2,0,0,0,0|1,0,1]=4 10833 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)C 7a_100011215632_100011261388 [0,2,0,0,0,0|1,0,1]=4 10834 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)Cl 7a_100011215632_100000684792 [0,2,0,0,0,0|1,0,1]=4 10835 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)F 34a_100000181323_200011218191 [0,2,0,0,0,0|1,0,1]=4 10836 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)F 34a_100011215632_100000743420 [0,2,0,0,0,0|1,0,1]=4 10837 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)F 7a_100000181323_200011218191 [0,2,0,0,0,0|1,0,1]=4 10838 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)F 7a_100011215632_100000743420 [0,2,0,0,0,0|1,0,1]=4 10839 B17R1.24 CCCCCC(C)OC(C)c1ccc(cc1)N 34a_100011216399_200011218191 [0,2,0,0,0,0|1,0,1]=4 10840 B17R1.24 CCCCCC(C)O[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200011218191 [0,2,0,0,0,0|1,0,1]=4 10841 B17R1.24 CCCCCC(C)O[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200011218191 [0,2,0,0,0,0|1,0,1]=4 10842 B17R1.24 CCCCCC(C)O[C@H](C)c1ccc(cc1)C 34a_100000690690_200011218191 [0,2,0,0,0,0|1,0,1]=4 10843 B17R1.24 CCCCCC(C)O[C@H](C)c1ccc(cc1)C 7a_100000690690_200011218191 [0,2,0,0,0,0|1,0,1]=4 10844 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)Br 269982a_100000223495_100000188085 [0,2,0,0,0,0|2,0,0]=4 10845 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)C 2230a_100000223495_100000211441 [0,2,0,0,0,0|2,0,0]=4 10846 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)C 269982a_100000223495_100000211441 [0,2,0,0,0,0|2,0,0]=4 10847 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)Cl 269982a_100000223495_100000211071 [0,2,0,0,0,0|2,0,0]=4 10848 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)F 269982a_100000223495_100000211279 [0,2,0,0,0,0|2,0,0]=4 10849 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)I 269982a_100000223495_100011216261 [0,2,0,0,0,0|2,0,0]=4 10850 B17R1.24 CCCCCN(C)CC(=O)c1ccc(cc1)O 269982a_100000223495_100009814261 [0,2,0,0,0,0|2,0,0]=4 10851 B17R1.24 [2H]C(OC(C)CCCCC)c1ccc(cc1)F 34a_217856618577_200011218191 [0,2,0,0,0,0|1,0,1]=4 10852 B17R1.24 [2H]C(OC(C)CCCCC)c1ccc(cc1)F 7a_217856618577_200011218191 [0,2,0,0,0,0|1,0,1]=4 10853 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000210664_200012276598 [0,2,0,0,0,0|1,0,1]=4 10854 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Br 1458a_100000212188_100000212080 [0,2,0,0,0,0|1,0,1]=4 10855 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000189346_200012276598 [0,2,0,0,0,0|1,0,1]=4 10856 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)C 1458a_100000212188_100000739480 [0,2,0,0,0,0|1,0,1]=4 10857 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000210390_200012276598 [0,2,0,0,0,0|1,0,1]=4 10858 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)Cl 1458a_100000212188_100000211444 [0,2,0,0,0,0|1,0,1]=4 10859 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210950_200012276598 [0,2,0,0,0,0|1,0,1]=4 10860 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000212188_100000215616 [0,2,0,0,0,0|1,0,1]=4 10861 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)I 1458a_100000184098_200012276598 [0,2,0,0,0,0|1,0,1]=4 10862 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_200012276598 [0,2,0,0,0,0|1,0,1]=4 10863 B17R1.25 CCCCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000212188_100009813753 [0,2,0,0,0,0|1,0,1]=4 10864 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Br 11a_100000211957_100000210664 [0,2,0,0,0,0|1,0,0]=3 10865 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Br 1626a_100000211957_100000210664 [0,2,0,0,0,0|1,0,0]=3 10866 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Br 240690a_100000211957_100000210664 [0,2,0,0,0,0|1,0,0]=3 10867 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Br 527a_100000211957_100000210664 [0,2,0,0,0,0|1,0,0]=3 10868 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)C 11a_100000211957_100000189346 [0,2,0,0,0,0|1,0,0]=3 10869 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)C 1626a_100000211957_100000189346 [0,2,0,0,0,0|1,0,0]=3 10870 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)C 240690a_100000211957_100000189346 [0,2,0,0,0,0|1,0,0]=3 10871 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)C 527a_100000211957_100000189346 [0,2,0,0,0,0|1,0,0]=3 10872 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Cl 11a_100000211957_100000210390 [0,2,0,0,0,0|1,0,0]=3 10873 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Cl 1626a_100000211957_100000210390 [0,2,0,0,0,0|1,0,0]=3 10874 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Cl 240690a_100000211957_100000210390 [0,2,0,0,0,0|1,0,0]=3 10875 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)Cl 527a_100000211957_100000210390 [0,2,0,0,0,0|1,0,0]=3 10876 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)F 11a_100000211957_100000210950 [0,2,0,0,0,0|1,0,0]=3 10877 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)F 1626a_100000211957_100000210950 [0,2,0,0,0,0|1,0,0]=3 10878 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)F 240690a_100000211957_100000210950 [0,2,0,0,0,0|1,0,0]=3 10879 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)F 527a_100000211957_100000210950 [0,2,0,0,0,0|1,0,0]=3 10880 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)I 11a_100000211957_100000184098 [0,2,0,0,0,0|1,0,0]=3 10881 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)I 1626a_100000211957_100000184098 [0,2,0,0,0,0|1,0,0]=3 10882 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)I 240690a_100000211957_100000184098 [0,2,0,0,0,0|1,0,0]=3 10883 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)I 527a_100000211957_100000184098 [0,2,0,0,0,0|1,0,0]=3 10884 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)O 240690a_100000211957_100000183914 [0,2,0,0,0,0|1,0,0]=3 10885 B17R1.25 CCCCCC(C)NC(=O)c1cccc(c1)O 527a_100000211957_100000183914 [0,2,0,0,0,0|1,0,0]=3 10886 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)Br 34a_100000246457_200011218191 [0,2,0,0,0,0|1,0,1]=4 10887 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)Br 7a_100000246457_200011218191 [0,2,0,0,0,0|1,0,1]=4 10888 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)C 34a_100000757818_200011218191 [0,2,0,0,0,0|1,0,1]=4 10889 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)C 7a_100000757818_200011218191 [0,2,0,0,0,0|1,0,1]=4 10890 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)F 34a_100000744526_200011218191 [0,2,0,0,0,0|1,0,1]=4 10891 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)F 7a_100000744526_200011218191 [0,2,0,0,0,0|1,0,1]=4 10892 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)I 34a_100013085317_200011218191 [0,2,0,0,0,0|1,0,1]=4 10893 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)I 7a_100013085317_200011218191 [0,2,0,0,0,0|1,0,1]=4 10894 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)N 34a_100011217120_200011218191 [0,2,0,0,0,0|1,0,1]=4 10895 B17R1.25 CCCCCC(C)OC(C)c1cccc(c1)N 7a_100011217120_200011218191 [0,2,0,0,0,0|1,0,1]=4 10896 B17R1.25 CCCCCC(C)O[C@H](C)c1cccc(c1)Cl 34a_100000747380_200011218191 [0,2,0,0,0,0|1,0,1]=4 10897 B17R1.25 CCCCCC(C)O[C@H](C)c1cccc(c1)Cl 7a_100000747380_200011218191 [0,2,0,0,0,0|1,0,1]=4 10898 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)Br 2230a_100000223495_100000212080 [0,2,0,0,0,0|2,0,0]=4 10899 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)Br 269982a_100000223495_100000212080 [0,2,0,0,0,0|2,0,0]=4 10900 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)C 2230a_100000223495_100000739480 [0,2,0,0,0,0|2,0,0]=4 10901 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)C 269982a_100000223495_100000739480 [0,2,0,0,0,0|2,0,0]=4 10902 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)Cl 2230a_100000223495_100000211444 [0,2,0,0,0,0|2,0,0]=4 10903 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)Cl 269982a_100000223495_100000211444 [0,2,0,0,0,0|2,0,0]=4 10904 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)F 2230a_100000223495_100000215616 [0,2,0,0,0,0|2,0,0]=4 10905 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)F 269982a_100000223495_100000215616 [0,2,0,0,0,0|2,0,0]=4 10906 B17R1.25 CCCCCN(C)CC(=O)c1cccc(c1)O 269982a_100000223495_100009813753 [0,2,0,0,0,0|2,0,0]=4 10907 B17R1.675 CC(C)CCCC(=O)CC(=O)c1ccccc1 1458a_100011216857_100000211460 [0,2,0,0,0,0|1,0,1]=4 10908 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 11a_100000210607_100000185807 [0,2,0,0,0,0|1,0,0]=3 10909 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 1626a_100000210607_100000185807 [0,2,0,0,0,0|1,0,0]=3 10910 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 240690a_100000210607_100000185807 [0,2,0,0,0,0|1,0,0]=3 10911 B17R1.675 CC(C)CCCC(C)NC(=O)c1ccccc1 527a_100000210607_100000185807 [0,2,0,0,0,0|1,0,0]=3 10912 B17R1.675 CC(C)CCCC(C)OC(C)c1ccccc1 34a_200011218570_100000211855 [0,2,0,0,0,0|1,0,1]=4 10913 B17R1.675 CC(C)CCCC(C)OC(C)c1ccccc1 7a_200011218570_100000230085 [0,2,0,0,0,0|1,0,1]=4 10914 B17R1.724 CCCCCCC(=O)C=C(C)c1ccccc1 1458a_100000743005_100000210757 [0,2,0,0,0,0|2,0,0]=4 10915 B17R1.724 CCCCCCC(=O)CC(=O)c1ccccc1 1458a_100102632555_100000211460 [0,2,0,0,0,0|1,0,0]=3 10916 B17R1.724 CCCCCCC(=O)CC(=O)c1ccccn1 1458a_100102632555_100000027445 [0,2,0,0,0,0|2,0,0]=4 10917 B17R1.724 CCCCCCC(=O)CC(=O)c1cccnc1 1458a_100102632555_100015188593 [0,2,0,0,0,0|2,0,0]=4 10918 B17R1.724 CCCCCCC(=O)CC(=O)c1ccncc1 1458a_100102632555_100000027454 [0,2,0,0,0,0|2,0,0]=4 10919 B17R1.724 CCCCCCC(C)NC(=O)c1ccccc1 11a_100000210919_100000185807 [0,2,0,0,0,0|1,0,0]=3 10920 B17R1.724 CCCCCCC(C)NC(=O)c1ccccc1 1626a_100000210919_100000185807 [0,2,0,0,0,0|1,0,0]=3 10921 B17R1.724 CCCCCCC(C)NC(=O)c1ccccc1 240690a_100000210919_100000185807 [0,2,0,0,0,0|1,0,0]=3 10922 B17R1.724 CCCCCCC(C)NC(=O)c1ccccc1 527a_100000210919_100000185807 [0,2,0,0,0,0|1,0,0]=3 10923 B17R1.724 CCCCCCC(C)OC(C)c1ccccc1 34a_100000210265_100000211855 [0,2,0,0,0,0|1,0,1]=4 10924 B17R1.724 CCCCCCC(C)OC(C)c1ccccc1 7a_100000210265_100000230085 [0,2,0,0,0,0|1,0,1]=4 10925 B17R1.724 CCCCCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215978 [0,2,0,0,0,0|1,0,1]=4 10926 B17R1.724 CCCCCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100011215978 [0,2,0,0,0,0|1,0,1]=4 10927 B17R1.724 CCCCCCN(C)CC(=O)c1ccccc1 269982a_106256046315_100000211460 [0,2,0,0,0,0|1,0,0]=3 10928 B17R1.724 CCCCCCN(C)CC(=O)c1ccccn1 269982a_106256046315_100000027445 [0,2,0,0,0,0|2,0,0]=4 10929 B17R1.724 CCCCCCN(C)CC(=O)c1cccnc1 269982a_106256046315_100000757877 [0,2,0,0,0,0|2,0,0]=4 10930 B17R1.724 CCCCCCN(C)CC(=O)c1ccncc1 269982a_106256046315_100000027454 [0,2,0,0,0,0|2,0,0]=4 10931 B17R1.724 CCCCCCN(C)CS(=O)c1ccccc1 269982a_106256046315_100000031784 [0,2,0,0,0,0|2,0,0]=4 10932 B17R1.724 CCCCCNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000230301 [0,2,0,0,0,0|1,0,1]=4 10933 B17R1.724 CCCCNCC(=O)NC(=O)c1ccccc1 7a_106832991798_100000010347 [0,2,0,0,0,0|1,0,1]=4 10934 B17R1.724 CCCCOCC(=O)CC(=O)c1ccccc1 1458a_100000757543_100000211460 [0,2,0,0,0,0|1,0,1]=4 10935 B17R1.724 CCCCOCC(=O)NC(=O)c1ccccc1 7a_100000210227_100000010347 [0,2,0,0,0,0|1,0,1]=4 10936 B17R1.724 CCCCOCC(C)OC(C)c1ccccc1 34a_100011217071_100000211855 [0,2,0,0,0,0|1,0,1]=4 10937 B17R1.724 CCCCOCC(C)OC(C)c1ccccc1 7a_100011217071_100000230085 [0,2,0,0,0,0|1,0,1]=4 10938 B17R1.724 CCCCSCC(=O)CC(=O)c1ccccc1 1458a_100000191162_100000211460 [0,2,0,0,0,0|1,0,1]=4 10939 B17R1.724 CCCCSCC(=O)NC(=O)c1ccccc1 62a_100000210211_100000010347 [0,2,0,0,0,0|1,0,1]=4 10940 B17R1.724 CN(CCCCCO)CC(=O)c1ccccc1 269982a_100000722520_100000211460 [0,2,0,0,0,0|2,0,0]=4 10941 B17R1.724 O=C(CCCCCO)CC(=O)c1ccccc1 1458a_100102619762_100000211460 [0,2,0,0,0,0|1,0,1]=4 10942 B17R1.1357 CCC(C)CCC(=O)CC(=O)c1ccccc1 1458a_100000701222_100000211460 [0,2,0,0,0,0|1,0,1]=4 10943 B17R1.1357 CCC(C)CCC(C)OC(C)c1ccccc1 7a_200011216552_100000230085 [0,2,0,0,0,0|1,0,1]=4 10944 B17R1.1446 C#CC(CCCCC)OC(C)c1ccccc1 34a_100011216489_100000211855 [0,2,0,0,0,0|1,0,1]=4 10945 B17R1.1446 C#CC(CCCCC)OC(C)c1ccccc1 7a_100011216489_100000230085 [0,2,0,0,0,0|1,0,1]=4 10946 B17R1.1446 C=CC(CCCCC)OC(C)c1ccccc1 34a_100011216863_100000211855 [0,2,0,0,0,0|1,0,1]=4 10947 B17R1.1446 C=CC(CCCCC)OC(C)c1ccccc1 7a_100011216863_100000230085 [0,2,0,0,0,0|1,0,1]=4 10948 B17R1.1446 CCCCCC(CC)OC(C)c1ccccc1 34a_100011215405_100000211855 [0,2,0,0,0,0|1,0,1]=4 10949 B17R1.1446 CCCCCC(CC)OC(C)c1ccccc1 7a_100011215405_100000230085 [0,2,0,0,0,0|1,0,1]=4 10950 B17R1.1477 C=C(C(=O)C(C)CCCCC)c1ccccc1 1458a_100000065200_200011218191 [0,2,0,0,0,0|2,0,0]=4 10951 B17R1.1477 CCCCCC(=O)C(C)C(=O)c1ccccc1 1458a_100000212188_100000239700 [0,2,0,0,0,0|1,0,1]=4 10952 B17R1.1477 CCCCCN(C)C(C)C(=O)c1ccccc1 2230a_100000223495_100000239700 [0,2,0,0,0,0|2,0,0]=4 10953 B17R1.1477 CCCCCN(C)C(C)C(=O)c1ccccc1 269982a_100000223495_100000239700 [0,2,0,0,0,0|2,0,0]=4 10954 B17R1.1538 CCCCC(=O)C(O)NC(=O)c1ccccc1 1458a_100000067094_100000210211 [0,2,0,0,0,0|1,0,1]=4 10955 B17R1.1538 CCCCC(=O)[C@@H](C)NC(=O)c1ccccc1 1458a_100011504567_100000210211 [0,2,0,0,0,0|1,0,1]=4 10956 B17R1.1538 CCCCC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_100000210211 [0,2,0,0,0,0|0,0,1]=3 10957 B17R1.1538 CCCCC(C)C(=O)CC(=O)c1ccccc1 1458a_100000725509_100000211460 [0,2,0,0,0,0|1,0,1]=4 10958 B17R1.1538 CCCCC(O)C(=O)CC(=O)c1ccccc1 1458a_100000720857_100000211460 [0,2,0,0,0,0|1,0,1]=4 10959 B17R1.1538 CCCNC(=O)[C@@H](C)OC(=O)c1ccccc1 11a_100020643023_200035542198 [0,2,0,0,0,0|1,0,1]=4 10960 B17R1.1538 CCCNC(=O)[C@@H](C)OC(=O)c1ccccc1 1626a_100020643023_200035542198 [0,2,0,0,0,0|1,0,1]=4 10961 B17R1.1538 CCCNC(=O)[C@@H](C)OC(=O)c1ccccc1 240690a_100020643023_200035542198 [0,2,0,0,0,0|1,0,1]=4 10962 B17R1.1538 CCCNC(=O)[C@@H](C)OC(=O)c1ccccc1 527a_100020643023_200035542198 [0,2,0,0,0,0|1,0,1]=4 10963 B17R1.1538 COCCC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_100000233755 [0,2,0,0,0,0|1,0,1]=4 10964 B17R1.1538 CSCCC(=O)[C@@H](C)OC(=O)c1ccccc1 1458a_200035542198_100000751147 [0,2,0,0,0,0|1,0,1]=4 10965 B17R1.1538 C[C@@H](OC(=O)c1ccccc1)C(=O)CCCF 1458a_200035542198_100011934791 [0,2,0,0,0,0|1,0,1]=4 10966 B17R1.1538 C[C@@H](OC(=O)c1ccccc1)C(=O)CCCO 1458a_200035542198_100011215043 [0,2,0,0,0,0|1,0,1]=4 10967 B17R1.1634 CCCC(=O)CC(C)NC(=O)c1ccccc1 1458a_100000195627_100000210303 [0,2,0,0,0,0|1,0,1]=4 10968 B17R1.1634 CCCC(C)CC(=O)CC(=O)c1ccccc1 1458a_100000748435_100000211460 [0,2,0,0,0,0|1,0,1]=4 10969 B17R1.1887 CCCCCC(C)NS(=O)(=O)c1ccccc1 270084a_100000211957_100000210345 [0,2,0,0,0,0|2,0,0]=4 10970 B17R1.1887 CCCCCC(C)NS(=O)(=O)c1ccccc1 274078a_100000211957_100000210345 [0,2,0,0,0,0|2,0,0]=4 10971 B17R1.1887 CCCCCC(C)NS(=O)(=O)c1ccccc1 40a_100000211957_100000032697 [0,2,0,0,0,0|2,0,0]=4 10972 B17R1.1887 CCCCCC(C)OC(C)(C)c1ccccc1 7a_100000694644_200011218191 [0,2,0,0,0,0|1,0,1]=4 10973 B17R1.1887 CCCCCC(C)OC(F)(F)c1ccccc1 7a_100011215632_100000036403 [0,2,0,0,0,0|1,0,1]=4 10974 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Br 1458a_100000188424_200012276598 [0,2,0,0,0,0|1,0,1]=4 10975 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Br 1458a_100000212188_100000199116 [0,2,0,0,0,0|1,0,1]=4 10976 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1C 1458a_100000212026_200012276598 [0,2,0,0,0,0|1,0,1]=4 10977 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1C 1458a_100000212188_100000741374 [0,2,0,0,0,0|1,0,1]=4 10978 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000185844_200012276598 [0,2,0,0,0,0|1,0,1]=4 10979 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1Cl 1458a_100000212188_100000211432 [0,2,0,0,0,0|1,0,1]=4 10980 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1F 1458a_100000188656_200012276598 [0,2,0,0,0,0|1,0,1]=4 10981 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1F 1458a_100000212188_100000204681 [0,2,0,0,0,0|1,0,1]=4 10982 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1I 1458a_100000187884_200012276598 [0,2,0,0,0,0|1,0,1]=4 10983 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1O 1458a_100000212188_100000188908 [0,2,0,0,0,0|1,0,1]=4 10984 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1O 1458a_100015234032_200012276598 [0,2,0,0,0,0|1,0,1]=4 10985 B17R1.5750 CCCCCC(=O)CC(=O)c1ccccc1[O-] 1458a_100009911694_200012276598 [0,2,0,0,0,0|1,0,1]=4 10986 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Br 11a_100000211957_100000188424 [0,2,0,0,0,0|1,0,0]=3 10987 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Br 1626a_100000211957_100000188424 [0,2,0,0,0,0|1,0,0]=3 10988 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Br 240690a_100000211957_100000188424 [0,2,0,0,0,0|1,0,0]=3 10989 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Br 527a_100000211957_100000188424 [0,2,0,0,0,0|1,0,0]=3 10990 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1C 11a_100000211957_100000212026 [0,2,0,0,0,0|1,0,0]=3 10991 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1C 1626a_100000211957_100000212026 [0,2,0,0,0,0|1,0,0]=3 10992 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1C 240690a_100000211957_100000212026 [0,2,0,0,0,0|1,0,0]=3 10993 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1C 527a_100000211957_100000212026 [0,2,0,0,0,0|1,0,0]=3 10994 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Cl 11a_100000211957_100000185844 [0,2,0,0,0,0|1,0,0]=3 10995 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Cl 1626a_100000211957_100000185844 [0,2,0,0,0,0|1,0,0]=3 10996 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Cl 240690a_100000211957_100000185844 [0,2,0,0,0,0|1,0,0]=3 10997 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1Cl 527a_100000211957_100000185844 [0,2,0,0,0,0|1,0,0]=3 10998 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1F 11a_100000211957_100000188656 [0,2,0,0,0,0|1,0,0]=3 10999 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1F 1626a_100000211957_100000188656 [0,2,0,0,0,0|1,0,0]=3 11000 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1F 240690a_100000211957_100000188656 [0,2,0,0,0,0|1,0,0]=3 11001 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1F 527a_100000211957_100000188656 [0,2,0,0,0,0|1,0,0]=3 11002 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1I 11a_100000211957_100000187884 [0,2,0,0,0,0|1,0,0]=3 11003 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1I 1626a_100000211957_100000187884 [0,2,0,0,0,0|1,0,0]=3 11004 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1I 240690a_100000211957_100000187884 [0,2,0,0,0,0|1,0,0]=3 11005 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1I 527a_100000211957_100000187884 [0,2,0,0,0,0|1,0,0]=3 11006 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1O 240690a_100000211957_100015234032 [0,2,0,0,0,0|1,0,0]=3 11007 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1[O-] 1626a_100000211957_100009911694 [0,2,0,0,0,0|1,0,0]=3 11008 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1[O-] 240690a_100000211957_100009911694 [0,2,0,0,0,0|1,0,0]=3 11009 B17R1.5750 CCCCCC(C)NC(=O)c1ccccc1[O-] 527a_100000211957_100009911694 [0,2,0,0,0,0|1,0,0]=3 11010 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1Br 34a_100000702211_200011218191 [0,2,0,0,0,0|1,0,1]=4 11011 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1Br 7a_100000702211_200011218191 [0,2,0,0,0,0|1,0,1]=4 11012 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1C 34a_100000742021_200011218191 [0,2,0,0,0,0|1,0,1]=4 11013 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1C 7a_100000742021_200011218191 [0,2,0,0,0,0|1,0,1]=4 11014 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1Cl 34a_100000740796_200011218191 [0,2,0,0,0,0|1,0,1]=4 11015 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1Cl 7a_100000740796_200011218191 [0,2,0,0,0,0|1,0,1]=4 11016 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1Cl 7a_100011215632_100000181259 [0,2,0,0,0,0|1,0,1]=4 11017 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1F 34a_100000697922_200011218191 [0,2,0,0,0,0|1,0,1]=4 11018 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1F 34a_100011215632_200000741388 [0,2,0,0,0,0|1,0,1]=4 11019 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1F 7a_100000697922_200011218191 [0,2,0,0,0,0|1,0,1]=4 11020 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1F 7a_100011215632_200000741388 [0,2,0,0,0,0|1,0,1]=4 11021 B17R1.5750 CCCCCC(C)OC(C)c1ccccc1N 7a_100011405641_200011218191 [0,2,0,0,0,0|1,0,1]=4 11022 B17R1.5750 CCCCCN(C)CC(=O)c1ccccc1Br 269982a_100000223495_100000199116 [0,2,0,0,0,0|2,0,0]=4 11023 B17R1.5750 CCCCCN(C)CC(=O)c1ccccc1C 2230a_100000223495_100000741374 [0,2,0,0,0,0|2,0,0]=4 11024 B17R1.5750 CCCCCN(C)CC(=O)c1ccccc1C 269982a_100000223495_100000741374 [0,2,0,0,0,0|2,0,0]=4 11025 B17R1.5750 CCCCCN(C)CC(=O)c1ccccc1Cl 269982a_100000223495_100000211432 [0,2,0,0,0,0|2,0,0]=4 11026 B17R1.5750 CCCCCN(C)CC(=O)c1ccccc1F 269982a_100000223495_100000204681 [0,2,0,0,0,0|2,0,0]=4 11027 B17R1.5750 CCCCCN(C)CC(=O)c1ccccc1O 269982a_100000223495_100000188908 [0,2,0,0,0,0|2,0,0]=4 11028 B17R1.8949 C#CC(OC(C)CCCCC)c1ccccc1 34a_100011219616_200011218191 [0,2,0,0,0,0|1,0,1]=4 11029 B17R1.8949 C#CC(OC(C)CCCCC)c1ccccc1 7a_100011219616_200011218191 [0,2,0,0,0,0|1,0,1]=4 11030 B17R1.8949 C=CC(OC(C)CCCCC)c1ccccc1 34a_100011215659_200011218191 [0,2,0,0,0,0|1,0,1]=4 11031 B17R1.8949 C=CC(OC(C)CCCCC)c1ccccc1 7a_100011215659_200011218191 [0,2,0,0,0,0|1,0,1]=4 11032 B17R1.8949 CCCCCC(C)OC(C#N)c1ccccc1 7a_100011217353_200011218191 [0,2,0,0,0,0|1,0,1]=4 11033 B17R1.8949 CCCCCC(C)OC(CBr)c1ccccc1 7a_100000185958_200011218191 [0,2,0,0,0,0|1,0,1]=4 11034 B17R1.8949 CCCCCC(C)OC(CC)c1ccccc1 34a_100000698172_200011218191 [0,2,0,0,0,0|1,0,1]=4 11035 B17R1.8949 CCCCCC(C)OC(CC)c1ccccc1 7a_100000698172_200011218191 [0,2,0,0,0,0|1,0,1]=4 11036 B17R1.8949 CCCCCC(C)OC(CN)c1ccccc1 34a_100000210709_200011218191 [0,2,0,0,0,0|1,0,1]=4 11037 B17R1.8949 CCCCCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_200011218191 [0,2,0,0,0,0|1,0,1]=4 11038 B17R1.8949 CCCCCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_200011218191 [0,2,0,0,0,0|1,0,1]=4 11039 B17R1.29547 CCCOCC(C)(C)NC(=O)c1ccccc1 34a_200000183113_100000210303 [0,2,0,0,0,0|2,0,0]=4 11040 B17R1.29547 CCCOCC(C)(C)NC(=O)c1ccccc1 7a_200000183113_100000210303 [0,2,0,0,0,0|2,0,0]=4 11041 B17R1.39 C#CCCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012276617 [0,2,0,0,0,0|1,0,1]=4 11042 B17R1.39 C#CCCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100012276617 [0,2,0,0,0,0|1,0,1]=4 11043 B17R1.39 C#CCCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012276617 [0,2,0,0,0,0|1,0,1]=4 11044 B17R1.39 C#CCCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100012276617 [0,2,0,0,0,0|1,0,1]=4 11045 B17R1.39 C#CCCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100012276617 [0,2,0,0,0,0|1,0,1]=4 11046 B17R1.39 C#CCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100012276617 [0,2,0,0,0,0|1,0,1]=4 11047 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)Br 34a_100000766709_100000188085 [0,2,0,0,0,0|0,0,2]=4 11048 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)Br 7a_100000766709_100000188085 [0,2,0,0,0,0|0,0,2]=4 11049 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)C 34a_100000766709_100000211441 [0,2,0,0,0,0|0,0,2]=4 11050 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)C 7a_100000766709_100000211441 [0,2,0,0,0,0|0,0,2]=4 11051 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)Cl 7a_100000766709_100000211071 [0,2,0,0,0,0|0,0,2]=4 11052 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100010269958 [0,2,0,0,0,0|0,0,2]=4 11053 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)F 7a_100000766709_100000211279 [0,2,0,0,0,0|0,0,2]=4 11054 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)I 34a_100000766709_100011216261 [0,2,0,0,0,0|0,0,2]=4 11055 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)I 7a_100000766709_100011216261 [0,2,0,0,0,0|0,0,2]=4 11056 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)O 34a_100000766709_100009814261 [0,2,0,0,0,0|0,0,2]=4 11057 B17R1.39 C#CCCCCOCC(=O)c1ccc(cc1)O 7a_100000766709_100000018856 [0,2,0,0,0,0|0,0,2]=4 11058 B17R1.39 C#CCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000688953 [0,2,0,0,0,0|0,0,2]=4 11059 B17R1.39 C/C=C/COCCOC(=O)c1ccc(cc1)C 7a_200000031072_100102629194 [0,2,0,0,0,0|0,0,2]=4 11060 B17R1.39 C=CCCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215473 [0,2,0,0,0,0|1,0,1]=4 11061 B17R1.39 C=CCCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215473 [0,2,0,0,0,0|1,0,1]=4 11062 B17R1.39 C=CCCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215473 [0,2,0,0,0,0|1,0,1]=4 11063 B17R1.39 C=CCCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215473 [0,2,0,0,0,0|1,0,1]=4 11064 B17R1.39 C=CCCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215473 [0,2,0,0,0,0|1,0,1]=4 11065 B17R1.39 C=CCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215473 [0,2,0,0,0,0|1,0,1]=4 11066 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)Br 34a_100000766645_100000188085 [0,2,0,0,0,0|0,0,2]=4 11067 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)Br 7a_100000766645_100000188085 [0,2,0,0,0,0|0,0,2]=4 11068 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)C 34a_100000766645_100000211441 [0,2,0,0,0,0|0,0,2]=4 11069 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)C 7a_100000766645_100000211441 [0,2,0,0,0,0|0,0,2]=4 11070 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)Cl 7a_100000766645_100000211071 [0,2,0,0,0,0|0,0,2]=4 11071 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100011215482 [0,2,0,0,0,0|0,0,2]=4 11072 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)F 7a_100000766645_100000211279 [0,2,0,0,0,0|0,0,2]=4 11073 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)I 34a_100000766645_100011216261 [0,2,0,0,0,0|0,0,2]=4 11074 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)I 7a_100000766645_100011216261 [0,2,0,0,0,0|0,0,2]=4 11075 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)O 34a_100000766645_100009814261 [0,2,0,0,0,0|0,0,2]=4 11076 B17R1.39 C=CCCCCOCC(=O)c1ccc(cc1)O 7a_100000766645_100000018856 [0,2,0,0,0,0|0,0,2]=4 11077 B17R1.39 C=CCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000754431 [0,2,0,0,0,0|0,0,2]=4 11078 B17R1.39 CC#CCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000748600 [0,2,0,0,0,0|0,0,2]=4 11079 B17R1.39 CC(OCCCCCCBr)c1ccc(cc1)Br 34a_100011215345_100000755118 [0,2,0,0,0,0|1,0,1]=4 11080 B17R1.39 CC(OCCCCCCBr)c1ccc(cc1)Cl 7a_100011215345_100000684792 [0,2,0,0,0,0|1,0,1]=4 11081 B17R1.39 CC(OCCCCCCBr)c1ccc(cc1)F 34a_100011215345_100000743420 [0,2,0,0,0,0|1,0,1]=4 11082 B17R1.39 CC(OCCCCCCBr)c1ccc(cc1)F 7a_100011215345_100000743420 [0,2,0,0,0,0|1,0,1]=4 11083 B17R1.39 CC(OCCCCCCCl)c1ccc(cc1)Br 34a_100000766143_100000755118 [0,2,0,0,0,0|1,0,1]=4 11084 B17R1.39 CC(OCCCCCCCl)c1ccc(cc1)Cl 7a_100000766143_100000684792 [0,2,0,0,0,0|1,0,1]=4 11085 B17R1.39 CC(OCCCCCCCl)c1ccc(cc1)F 34a_100000766143_100000743420 [0,2,0,0,0,0|1,0,1]=4 11086 B17R1.39 CC(OCCCCCCCl)c1ccc(cc1)F 7a_100000766143_100000743420 [0,2,0,0,0,0|1,0,1]=4 11087 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)Br 34a_100000732779_100000755118 [0,2,0,0,0,0|1,0,1]=4 11088 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)Br 34a_100000745893_100015922095 [0,2,0,0,0,0|1,0,1]=4 11089 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)Br 7a_100000745893_100015922095 [0,2,0,0,0,0|1,0,1]=4 11090 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)Cl 7a_100000732779_100000684792 [0,2,0,0,0,0|1,0,1]=4 11091 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)F 34a_100000181323_100015922095 [0,2,0,0,0,0|1,0,1]=4 11092 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)F 34a_100000732779_100000743420 [0,2,0,0,0,0|1,0,1]=4 11093 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)F 7a_100000181323_100015922095 [0,2,0,0,0,0|1,0,1]=4 11094 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)F 7a_100000732779_100000743420 [0,2,0,0,0,0|1,0,1]=4 11095 B17R1.39 CC(OCCCCCCF)c1ccc(cc1)N 34a_100011216399_100015922095 [0,2,0,0,0,0|1,0,1]=4 11096 B17R1.39 CC(OCCCCCCN)c1ccc(cc1)Br 34a_100000686447_100000755118 [0,2,0,0,0,0|1,0,1]=4 11097 B17R1.39 CC(OCCCCCCN)c1ccc(cc1)F 34a_100000686447_100000743420 [0,2,0,0,0,0|1,0,1]=4 11098 B17R1.39 CC(OCCCCCCO)c1ccc(cc1)Br 34a_100000745893_100000766143 [0,2,0,0,0,0|1,0,1]=4 11099 B17R1.39 CC(OCCCCCCO)c1ccc(cc1)Br 7a_100000745893_100000766143 [0,2,0,0,0,0|1,0,1]=4 11100 B17R1.39 CC(OCCCCCCO)c1ccc(cc1)F 34a_100000181323_100000766143 [0,2,0,0,0,0|1,0,1]=4 11101 B17R1.39 CC(OCCCCCCO)c1ccc(cc1)F 7a_100000181323_100000766143 [0,2,0,0,0,0|1,0,1]=4 11102 B17R1.39 CC(OCCCCCCO)c1ccc(cc1)N 34a_100011216399_100000766143 [0,2,0,0,0,0|1,0,1]=4 11103 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)Br 34a_100016288707_100000188085 [0,2,0,0,0,0|0,0,2]=4 11104 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)Br 7a_100016288707_100000188085 [0,2,0,0,0,0|0,0,2]=4 11105 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)C 34a_100016288707_100000211441 [0,2,0,0,0,0|0,0,2]=4 11106 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)C 7a_100016288707_100000211441 [0,2,0,0,0,0|0,0,2]=4 11107 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)Cl 7a_100016288707_100000211071 [0,2,0,0,0,0|0,0,2]=4 11108 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)F 34a_100000246311_100015370543 [0,2,0,0,0,0|0,0,2]=4 11109 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)F 7a_100016288707_100000211279 [0,2,0,0,0,0|0,0,2]=4 11110 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)I 34a_100016288707_100011216261 [0,2,0,0,0,0|0,0,2]=4 11111 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)I 7a_100016288707_100011216261 [0,2,0,0,0,0|0,0,2]=4 11112 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)O 34a_100016288707_100009814261 [0,2,0,0,0,0|0,0,2]=4 11113 B17R1.39 CC/C=C\CCOCC(=O)c1ccc(cc1)O 7a_100016288707_100000018856 [0,2,0,0,0,0|0,0,2]=4 11114 B17R1.39 CC=CCCCOCC(=O)c1ccc(cc1)Br 34a_100020645299_100000188085 [0,2,0,0,0,0|0,0,2]=4 11115 B17R1.39 CC=CCCCOCC(=O)c1ccc(cc1)C 34a_100020645299_100000211441 [0,2,0,0,0,0|0,0,2]=4 11116 B17R1.39 CC=CCCCOCC(=O)c1ccc(cc1)I 34a_100020645299_100011216261 [0,2,0,0,0,0|0,0,2]=4 11117 B17R1.39 CC=CCCCOCC(=O)c1ccc(cc1)O 34a_100020645299_100009814261 [0,2,0,0,0,0|0,0,2]=4 11118 B17R1.39 CC=CCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000070051 [0,2,0,0,0,0|0,0,2]=4 11119 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)Br 34a_100000036655_100000188085 [0,2,0,0,0,0|0,0,2]=4 11120 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)Br 7a_100000036655_100000188085 [0,2,0,0,0,0|0,0,2]=4 11121 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)C 34a_100000036655_100000211441 [0,2,0,0,0,0|0,0,2]=4 11122 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)C 7a_100000036655_100000211441 [0,2,0,0,0,0|0,0,2]=4 11123 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)Cl 7a_100000036655_100000211071 [0,2,0,0,0,0|0,0,2]=4 11124 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)F 7a_100000036655_100000211279 [0,2,0,0,0,0|0,0,2]=4 11125 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)I 34a_100000036655_100011216261 [0,2,0,0,0,0|0,0,2]=4 11126 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)I 7a_100000036655_100011216261 [0,2,0,0,0,0|0,0,2]=4 11127 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)O 34a_100000036655_100009814261 [0,2,0,0,0,0|0,0,2]=4 11128 B17R1.39 CCC#CCCOCC(=O)c1ccc(cc1)O 7a_100000036655_100000018856 [0,2,0,0,0,0|0,0,2]=4 11129 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)Br 34a_100016278788_100000188085 [0,2,0,0,0,0|0,0,2]=4 11130 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)Br 7a_100016278788_100000188085 [0,2,0,0,0,0|0,0,2]=4 11131 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)C 34a_100016278788_100000211441 [0,2,0,0,0,0|0,0,2]=4 11132 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)C 7a_100016278788_100000211441 [0,2,0,0,0,0|0,0,2]=4 11133 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)Cl 7a_100016278788_100000211071 [0,2,0,0,0,0|0,0,2]=4 11134 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)F 7a_100016278788_100000211279 [0,2,0,0,0,0|0,0,2]=4 11135 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)I 34a_100016278788_100011216261 [0,2,0,0,0,0|0,0,2]=4 11136 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)I 7a_100016278788_100011216261 [0,2,0,0,0,0|0,0,2]=4 11137 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)O 34a_100016278788_100009814261 [0,2,0,0,0,0|0,0,2]=4 11138 B17R1.39 CCC/C=C/COCC(=O)c1ccc(cc1)O 7a_100016278788_100000018856 [0,2,0,0,0,0|0,0,2]=4 11139 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)Br 34a_100000034806_100000188085 [0,2,0,0,0,0|0,0,2]=4 11140 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)Br 7a_100000034806_100000188085 [0,2,0,0,0,0|0,0,2]=4 11141 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)C 34a_100000034806_100000211441 [0,2,0,0,0,0|0,0,2]=4 11142 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)C 7a_100000034806_100000211441 [0,2,0,0,0,0|0,0,2]=4 11143 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)Cl 7a_100000034806_100000211071 [0,2,0,0,0,0|0,0,2]=4 11144 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)F 7a_100000034806_100000211279 [0,2,0,0,0,0|0,0,2]=4 11145 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)I 34a_100000034806_100011216261 [0,2,0,0,0,0|0,0,2]=4 11146 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)I 7a_100000034806_100011216261 [0,2,0,0,0,0|0,0,2]=4 11147 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)O 34a_100000034806_100009814261 [0,2,0,0,0,0|0,0,2]=4 11148 B17R1.39 CCCC#CCOCC(=O)c1ccc(cc1)O 7a_100000034806_100000018856 [0,2,0,0,0,0|0,0,2]=4 11149 B17R1.39 CCCCCC#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100009816472 [0,2,0,0,0,0|1,0,1]=4 11150 B17R1.39 CCCCCC#CCC(=O)c1ccc(cc1)C 1458a_100000188618_100009816472 [0,2,0,0,0,0|1,0,1]=4 11151 B17R1.39 CCCCCC#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009816472 [0,2,0,0,0,0|1,0,1]=4 11152 B17R1.39 CCCCCC#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100009816472 [0,2,0,0,0,0|1,0,1]=4 11153 B17R1.39 CCCCCC#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100009816472 [0,2,0,0,0,0|1,0,1]=4 11154 B17R1.39 CCCCCC#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100009816472 [0,2,0,0,0,0|1,0,1]=4 11155 B17R1.39 CCCCCC=NNC(=O)c1ccc(cc1)Br 4a_100000183614_100000737632 [0,2,0,0,0,0|1,0,1]=4 11156 B17R1.39 CCCCCC=NNC(=O)c1ccc(cc1)C 4a_100000189790_100000737632 [0,2,0,0,0,0|1,0,1]=4 11157 B17R1.39 CCCCCC=NNC(=O)c1ccc(cc1)Cl 4a_100000184390_100000737632 [0,2,0,0,0,0|1,0,1]=4 11158 B17R1.39 CCCCCC=NNC(=O)c1ccc(cc1)F 4a_100000182866_100000737632 [0,2,0,0,0,0|1,0,1]=4 11159 B17R1.39 CCCCCC=NNC(=O)c1ccc(cc1)I 4a_100000189773_100000737632 [0,2,0,0,0,0|1,0,1]=4 11160 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210759 [0,2,0,0,0,0|1,0,0]=3 11161 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210759 [0,2,0,0,0,0|1,0,0]=3 11162 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210759 [0,2,0,0,0,0|1,0,0]=3 11163 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210759 [0,2,0,0,0,0|1,0,0]=3 11164 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210759 [0,2,0,0,0,0|1,0,0]=3 11165 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210759 [0,2,0,0,0,0|1,0,0]=3 11166 B17R1.39 CCCCCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200005733193 [0,2,0,0,0,0|1,0,0]=3 11167 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Br 11a_100000229938_100000185839 [0,2,0,0,0,0|1,0,0]=3 11168 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Br 1626a_100000229938_100000185839 [0,2,0,0,0,0|1,0,0]=3 11169 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Br 240690a_100000229938_100000185839 [0,2,0,0,0,0|1,0,0]=3 11170 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Br 527a_100000229938_100000185839 [0,2,0,0,0,0|1,0,0]=3 11171 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)C 11a_100000229938_100000188618 [0,2,0,0,0,0|1,0,0]=3 11172 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)C 1626a_100000229938_100000188618 [0,2,0,0,0,0|1,0,0]=3 11173 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)C 240690a_100000229938_100000188618 [0,2,0,0,0,0|1,0,0]=3 11174 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)C 527a_100000229938_100000188618 [0,2,0,0,0,0|1,0,0]=3 11175 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Cl 11a_100000229938_100000210187 [0,2,0,0,0,0|1,0,0]=3 11176 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000229938_100000210187 [0,2,0,0,0,0|1,0,0]=3 11177 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000229938_100000210187 [0,2,0,0,0,0|1,0,0]=3 11178 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)Cl 527a_100000229938_100000210187 [0,2,0,0,0,0|1,0,0]=3 11179 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)F 11a_100000229938_100000187176 [0,2,0,0,0,0|1,0,0]=3 11180 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)F 1626a_100000229938_100000187176 [0,2,0,0,0,0|1,0,0]=3 11181 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)F 240690a_100000229938_100000187176 [0,2,0,0,0,0|1,0,0]=3 11182 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)F 527a_100000229938_100000187176 [0,2,0,0,0,0|1,0,0]=3 11183 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)I 11a_100000229938_100000187904 [0,2,0,0,0,0|1,0,0]=3 11184 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)I 1626a_100000229938_100000187904 [0,2,0,0,0,0|1,0,0]=3 11185 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)I 240690a_100000229938_100000187904 [0,2,0,0,0,0|1,0,0]=3 11186 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)I 527a_100000229938_100000187904 [0,2,0,0,0,0|1,0,0]=3 11187 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)O 240690a_100000229938_100000212099 [0,2,0,0,0,0|1,0,0]=3 11188 B17R1.39 CCCCCCCNC(=O)c1ccc(cc1)O 527a_100000229938_100000212099 [0,2,0,0,0,0|1,0,0]=3 11189 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)Br 34a_100000210272_100000755118 [0,2,0,0,0,0|1,0,1]=4 11190 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210614 [0,2,0,0,0,0|1,0,1]=4 11191 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210614 [0,2,0,0,0,0|1,0,1]=4 11192 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)C 34a_100000210272_100011261388 [0,2,0,0,0,0|1,0,1]=4 11193 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)C 7a_100000210272_100011261388 [0,2,0,0,0,0|1,0,1]=4 11194 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)Cl 7a_100000210272_100000684792 [0,2,0,0,0,0|1,0,1]=4 11195 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000210614 [0,2,0,0,0,0|1,0,1]=4 11196 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)F 34a_100000210272_100000743420 [0,2,0,0,0,0|1,0,1]=4 11197 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210614 [0,2,0,0,0,0|1,0,1]=4 11198 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)F 7a_100000210272_100000743420 [0,2,0,0,0,0|1,0,1]=4 11199 B17R1.39 CCCCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000210614 [0,2,0,0,0,0|1,0,1]=4 11200 B17R1.39 CCCCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210614 [0,2,0,0,0,0|1,0,1]=4 11201 B17R1.39 CCCCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210614 [0,2,0,0,0,0|1,0,1]=4 11202 B17R1.39 CCCCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210614 [0,2,0,0,0,0|1,0,1]=4 11203 B17R1.39 CCCCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210614 [0,2,0,0,0,0|1,0,1]=4 11204 B17R1.39 CCCCCCNCC(=O)c1ccc(cc1)C 2230a_100000210581_100000211441 [0,2,0,0,0,0|1,0,0]=3 11205 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)Br 34a_100000210259_100000188085 [0,2,0,0,0,0|0,0,0]=2 11206 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)Br 7a_100000210259_100000188085 [0,2,0,0,0,0|0,0,0]=2 11207 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)C 34a_100000210259_100000211441 [0,2,0,0,0,0|0,0,0]=2 11208 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)C 7a_100000210259_100000211441 [0,2,0,0,0,0|0,0,0]=2 11209 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)Cl 7a_100000210259_100000211071 [0,2,0,0,0,0|0,0,0]=2 11210 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210314 [0,2,0,0,0,0|0,0,0]=2 11211 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)F 7a_100000210259_100000211279 [0,2,0,0,0,0|0,0,0]=2 11212 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)I 34a_100000210259_100011216261 [0,2,0,0,0,0|0,0,0]=2 11213 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)I 7a_100000210259_100011216261 [0,2,0,0,0,0|0,0,0]=2 11214 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)O 34a_100000210259_100009814261 [0,2,0,0,0,0|0,0,0]=2 11215 B17R1.39 CCCCCCOCC(=O)c1ccc(cc1)O 7a_100000210259_100000018856 [0,2,0,0,0,0|0,0,0]=2 11216 B17R1.39 CCCCCCOCC(=O)c1ccc(cn1)Cl 7a_100000210259_100016989621 [0,2,0,0,0,0|1,0,0]=3 11217 B17R1.39 CCCCCCOCC(N)c1ccc(cc1)Br 34a_100000734186_100000210314 [0,2,0,0,0,0|1,0,1]=4 11218 B17R1.39 CCCCCCOCC(N)c1ccc(cc1)F 34a_100000705410_100000210314 [0,2,0,0,0,0|1,0,1]=4 11219 B17R1.39 CCCCCCOCC(O)c1ccc(cc1)Cl 34a_100000210259_200011996143 [0,2,0,0,0,0|0,0,2]=4 11220 B17R1.39 CCCCCCOCC(O)c1ccc(cc1)Cl 7a_100000210259_200011996143 [0,2,0,0,0,0|0,0,2]=4 11221 B17R1.39 CCCCCCOC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_100000210314 [0,2,0,0,0,0|1,0,1]=4 11222 B17R1.39 CCCCCCOC[C@H](N)c1ccc(cc1)C 34a_100009818840_100000210314 [0,2,0,0,0,0|1,0,1]=4 11223 B17R1.39 CCCCCCOC[C@H](O)c1ccc(cc1)F 34a_100000210259_100000720402 [0,2,0,0,0,0|0,0,2]=4 11224 B17R1.39 CCCCCCOC[C@H](O)c1ccc(cc1)F 7a_100000210259_100000720402 [0,2,0,0,0,0|0,0,2]=4 11225 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210757 [0,2,0,0,0,0|0,1,0]=3 11226 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)C 62a_100000210314_100000211441 [0,2,0,0,0,0|0,1,0]=3 11227 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210757 [0,2,0,0,0,0|0,1,0]=3 11228 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)Cl 62a_100000210314_100000211071 [0,2,0,0,0,0|0,1,0]=3 11229 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210757 [0,2,0,0,0,0|0,1,0]=3 11230 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)F 62a_100000210314_100000211279 [0,2,0,0,0,0|0,1,0]=3 11231 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210757 [0,2,0,0,0,0|0,1,0]=3 11232 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)I 62a_100000210314_100011216261 [0,2,0,0,0,0|0,1,0]=3 11233 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210757 [0,2,0,0,0,0|0,1,0]=3 11234 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)O 62a_100000210314_100009814261 [0,2,0,0,0,0|0,1,0]=3 11235 B17R1.39 CCCCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210757 [0,2,0,0,0,0|0,1,0]=3 11236 B17R1.39 CCCCCCSCC(=O)c1ccc(cn1)Cl 62a_100000210314_100016989621 [0,2,0,0,0,0|1,1,0]=4 11237 B17R1.39 CCCCCCSCC(=O)c1ccc(cn1)Cl 62a_100016989621_100000210757 [0,2,0,0,0,0|1,1,0]=4 11238 B17R1.39 CCCCCCSCC(=O)c1ccc(nc1)C 62a_100000210314_100012027583 [0,2,0,0,0,0|1,1,0]=4 11239 B17R1.39 CCCCCCSCC(=O)c1ccc(nc1)C 62a_100012027583_100000210757 [0,2,0,0,0,0|1,1,0]=4 11240 B17R1.39 CCCCCCSCC(=O)c1ccc(nc1)Cl 62a_100000210314_100009864725 [0,2,0,0,0,0|1,1,0]=4 11241 B17R1.39 CCCCCCSCC(=O)c1ccc(nc1)Cl 62a_100009864725_100000210757 [0,2,0,0,0,0|1,1,0]=4 11242 B17R1.39 CCCCCNCCC(=O)c1ccc(cc1)C 2230a_100000209983_100000701375 [0,2,0,0,0,0|1,0,0]=3 11243 B17R1.39 CCCCCNCCC(=O)c1ccc(cc1)F 2230a_100000209983_100000211231 [0,2,0,0,0,0|1,0,0]=3 11244 B17R1.39 CCCCCNCCC(=O)c1ccc(cc1)O 2230a_100000209983_100009879949 [0,2,0,0,0,0|1,0,0]=3 11245 B17R1.39 CCCCCOCCC(=O)c1ccc(cc1)Br 7a_100000210253_100011215963 [0,2,0,0,0,0|1,0,0]=3 11246 B17R1.39 CCCCCOCCC(=O)c1ccc(cc1)C 7a_100000210253_100000701375 [0,2,0,0,0,0|1,0,0]=3 11247 B17R1.39 CCCCCOCCC(=O)c1ccc(cc1)Cl 7a_100000210253_100011216492 [0,2,0,0,0,0|1,0,0]=3 11248 B17R1.39 CCCCCOCCC(=O)c1ccc(cc1)F 7a_100000210253_100000211231 [0,2,0,0,0,0|1,0,0]=3 11249 B17R1.39 CCCCCOCCC(=O)c1ccc(cc1)O 7a_100000210253_100009879949 [0,2,0,0,0,0|1,0,0]=3 11250 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)Br 62a_100000210326_100011215963 [0,2,0,0,0,0|1,0,0]=3 11251 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210326 [0,2,0,0,0,0|1,0,0]=3 11252 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)C 62a_100000210326_100000701375 [0,2,0,0,0,0|1,0,0]=3 11253 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210326 [0,2,0,0,0,0|1,0,0]=3 11254 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)Cl 62a_100000210326_100011216492 [0,2,0,0,0,0|1,0,0]=3 11255 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210326 [0,2,0,0,0,0|1,0,0]=3 11256 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)F 62a_100000210326_100000211231 [0,2,0,0,0,0|1,0,0]=3 11257 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210326 [0,2,0,0,0,0|1,0,0]=3 11258 B17R1.39 CCCCCSCCC(=O)c1ccc(cc1)O 62a_100000210326_100009879949 [0,2,0,0,0,0|1,0,0]=3 11259 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)Br 2230a_100000102301_100000211046 [0,2,0,0,0,0|1,0,0]=3 11260 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)Br 7a_106832991798_100000211046 [0,2,0,0,0,0|1,0,0]=3 11261 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)Cl 7a_106832991798_200011217871 [0,2,0,0,0,0|1,0,0]=3 11262 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)F 2230a_100000102301_100000211961 [0,2,0,0,0,0|1,0,0]=3 11263 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)F 7a_106832991798_100000211961 [0,2,0,0,0,0|1,0,0]=3 11264 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)O 2230a_100000102301_100000039620 [0,2,0,0,0,0|1,0,0]=3 11265 B17R1.39 CCCCNCCCC(=O)c1ccc(cc1)O 7a_106832991798_100000039620 [0,2,0,0,0,0|1,0,0]=3 11266 B17R1.39 CCCCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000210211 [0,2,0,0,0,0|1,0,0]=3 11267 B17R1.39 CCCCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000210210 [0,2,0,0,0,0|1,0,0]=3 11268 B17R1.39 CCCCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000210211 [0,2,0,0,0,0|1,0,0]=3 11269 B17R1.39 CCCCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000210210 [0,2,0,0,0,0|1,0,0]=3 11270 B17R1.39 CCCCOCCCC(=O)c1ccc(cc1)Br 34a_100000210227_100000211046 [0,2,0,0,0,0|1,0,0]=3 11271 B17R1.39 CCCCOCCCC(=O)c1ccc(cc1)Br 7a_100000210227_100000211046 [0,2,0,0,0,0|1,0,0]=3 11272 B17R1.39 CCCCOCCCC(=O)c1ccc(cc1)Cl 7a_100000210227_200011217871 [0,2,0,0,0,0|1,0,0]=3 11273 B17R1.39 CCCCOCCCC(=O)c1ccc(cc1)F 7a_100000210227_100000211961 [0,2,0,0,0,0|1,0,0]=3 11274 B17R1.39 CCCCOCCCC(=O)c1ccc(cc1)O 7a_100000210227_100000039620 [0,2,0,0,0,0|1,0,0]=3 11275 B17R1.39 CCCCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000210210 [0,2,0,0,0,0|1,0,0]=3 11276 B17R1.39 CCCCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100000210210 [0,2,0,0,0,0|1,0,0]=3 11277 B17R1.39 CCCCOCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000210211 [0,2,0,0,0,0|1,0,0]=3 11278 B17R1.39 CCCCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000210210 [0,2,0,0,0,0|1,0,0]=3 11279 B17R1.39 CCCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000210211 [0,2,0,0,0,0|0,0,0]=2 11280 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)Br 34a_100000210238_100000755118 [0,2,0,0,0,0|1,0,1]=4 11281 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000743108 [0,2,0,0,0,0|1,0,1]=4 11282 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000743108 [0,2,0,0,0,0|1,0,1]=4 11283 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)C 34a_100000210238_100011261388 [0,2,0,0,0,0|1,0,1]=4 11284 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)C 7a_100000210238_100011261388 [0,2,0,0,0,0|1,0,1]=4 11285 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)Cl 7a_100000210238_100000684792 [0,2,0,0,0,0|1,0,1]=4 11286 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)F 34a_100000181323_100000743108 [0,2,0,0,0,0|1,0,1]=4 11287 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)F 34a_100000210238_100000743420 [0,2,0,0,0,0|1,0,1]=4 11288 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)F 7a_100000181323_100000743108 [0,2,0,0,0,0|1,0,1]=4 11289 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)F 7a_100000210238_100000743420 [0,2,0,0,0,0|1,0,1]=4 11290 B17R1.39 CCCCOCCOC(C)c1ccc(cc1)N 34a_100011216399_100000743108 [0,2,0,0,0,0|1,0,1]=4 11291 B17R1.39 CCCCOCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000743108 [0,2,0,0,0,0|1,0,1]=4 11292 B17R1.39 CCCCOCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000743108 [0,2,0,0,0,0|1,0,1]=4 11293 B17R1.39 CCCCOCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000743108 [0,2,0,0,0,0|1,0,1]=4 11294 B17R1.39 CCCCOCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000743108 [0,2,0,0,0,0|1,0,1]=4 11295 B17R1.39 CCCCOCOCC(=O)c1ccc(cc1)F 34a_100000246311_100011995733 [0,2,0,0,0,0|1,0,0]=3 11296 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011995733 [0,2,0,0,0,0|1,1,0]=4 11297 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)C 62a_100000211441_100011995733 [0,2,0,0,0,0|1,1,0]=4 11298 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)C 62a_100011995733_100000211441 [0,2,0,0,0,0|1,1,0]=4 11299 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011995733 [0,2,0,0,0,0|1,1,0]=4 11300 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)Cl 62a_100011995733_100000211071 [0,2,0,0,0,0|1,1,0]=4 11301 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)F 62a_100000211279_100011995733 [0,2,0,0,0,0|1,1,0]=4 11302 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)F 62a_100011995733_100000211279 [0,2,0,0,0,0|1,1,0]=4 11303 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)I 62a_100011216261_100011995733 [0,2,0,0,0,0|1,1,0]=4 11304 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)I 62a_100011995733_100011216261 [0,2,0,0,0,0|1,1,0]=4 11305 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011995733 [0,2,0,0,0,0|1,1,0]=4 11306 B17R1.39 CCCCOCSCC(=O)c1ccc(cc1)O 62a_100011995733_100009814261 [0,2,0,0,0,0|1,1,0]=4 11307 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)Br 62a_100000210211_100000211046 [0,2,0,0,0,0|1,0,0]=3 11308 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000210210 [0,2,0,0,0,0|1,0,0]=3 11309 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)Cl 62a_100000210211_200011217871 [0,2,0,0,0,0|1,0,0]=3 11310 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000210210 [0,2,0,0,0,0|1,0,0]=3 11311 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)F 62a_100000210211_100000211961 [0,2,0,0,0,0|1,0,0]=3 11312 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000210210 [0,2,0,0,0,0|1,0,0]=3 11313 B17R1.39 CCCCSCCCC(=O)c1ccc(cc1)O 62a_100000210211_100000039620 [0,2,0,0,0,0|1,0,0]=3 11314 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Br 11a_100025743550_100000185839 [0,2,0,0,0,0|1,0,0]=3 11315 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Br 1626a_100025743550_100000185839 [0,2,0,0,0,0|1,0,0]=3 11316 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Br 240690a_100025743550_100000185839 [0,2,0,0,0,0|1,0,0]=3 11317 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Br 527a_100025743550_100000185839 [0,2,0,0,0,0|1,0,0]=3 11318 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)C 11a_100025743550_100000188618 [0,2,0,0,0,0|1,0,0]=3 11319 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)C 1626a_100025743550_100000188618 [0,2,0,0,0,0|1,0,0]=3 11320 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)C 240690a_100025743550_100000188618 [0,2,0,0,0,0|1,0,0]=3 11321 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)C 527a_100025743550_100000188618 [0,2,0,0,0,0|1,0,0]=3 11322 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Cl 11a_100025743550_100000210187 [0,2,0,0,0,0|1,0,0]=3 11323 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Cl 1626a_100025743550_100000210187 [0,2,0,0,0,0|1,0,0]=3 11324 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Cl 240690a_100025743550_100000210187 [0,2,0,0,0,0|1,0,0]=3 11325 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)Cl 527a_100025743550_100000210187 [0,2,0,0,0,0|1,0,0]=3 11326 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)F 11a_100025743550_100000187176 [0,2,0,0,0,0|1,0,0]=3 11327 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)F 1626a_100025743550_100000187176 [0,2,0,0,0,0|1,0,0]=3 11328 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)F 240690a_100025743550_100000187176 [0,2,0,0,0,0|1,0,0]=3 11329 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)F 527a_100025743550_100000187176 [0,2,0,0,0,0|1,0,0]=3 11330 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)I 11a_100025743550_100000187904 [0,2,0,0,0,0|1,0,0]=3 11331 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)I 1626a_100025743550_100000187904 [0,2,0,0,0,0|1,0,0]=3 11332 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)I 240690a_100025743550_100000187904 [0,2,0,0,0,0|1,0,0]=3 11333 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)I 527a_100025743550_100000187904 [0,2,0,0,0,0|1,0,0]=3 11334 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)O 240690a_100025743550_100000212099 [0,2,0,0,0,0|1,0,0]=3 11335 B17R1.39 CCCCSCCNC(=O)c1ccc(cc1)O 527a_100025743550_100000212099 [0,2,0,0,0,0|1,0,0]=3 11336 B17R1.39 CCCCSCCOC(C)c1ccc(cc1)Br 34a_200000230436_100000755118 [0,2,0,0,0,0|1,0,1]=4 11337 B17R1.39 CCCCSCCOC(C)c1ccc(cc1)C 34a_200000230436_100011261388 [0,2,0,0,0,0|1,0,1]=4 11338 B17R1.39 CCCCSCCOC(C)c1ccc(cc1)C 7a_200000230436_100011261388 [0,2,0,0,0,0|1,0,1]=4 11339 B17R1.39 CCCCSCCOC(C)c1ccc(cc1)Cl 7a_200000230436_100000684792 [0,2,0,0,0,0|1,0,1]=4 11340 B17R1.39 CCCCSCCOC(C)c1ccc(cc1)F 34a_200000230436_100000743420 [0,2,0,0,0,0|1,0,1]=4 11341 B17R1.39 CCCCSCCOC(C)c1ccc(cc1)F 7a_200000230436_100000743420 [0,2,0,0,0,0|1,0,1]=4 11342 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)Br 1626a_100011217757_100000185839 [0,2,0,0,0,0|1,0,0]=3 11343 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)Br 240690a_100011217757_100000185839 [0,2,0,0,0,0|1,0,0]=3 11344 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)Br 527a_100011217757_100000185839 [0,2,0,0,0,0|1,0,0]=3 11345 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)C 1626a_100011217757_100000188618 [0,2,0,0,0,0|1,0,0]=3 11346 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)C 240690a_100011217757_100000188618 [0,2,0,0,0,0|1,0,0]=3 11347 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)C 527a_100011217757_100000188618 [0,2,0,0,0,0|1,0,0]=3 11348 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)Cl 1626a_100011217757_100000210187 [0,2,0,0,0,0|1,0,0]=3 11349 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)Cl 240690a_100011217757_100000210187 [0,2,0,0,0,0|1,0,0]=3 11350 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)Cl 527a_100011217757_100000210187 [0,2,0,0,0,0|1,0,0]=3 11351 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)F 1626a_100011217757_100000187176 [0,2,0,0,0,0|1,0,0]=3 11352 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)F 240690a_100011217757_100000187176 [0,2,0,0,0,0|1,0,0]=3 11353 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)F 527a_100011217757_100000187176 [0,2,0,0,0,0|1,0,0]=3 11354 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)I 1626a_100011217757_100000187904 [0,2,0,0,0,0|1,0,0]=3 11355 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)I 240690a_100011217757_100000187904 [0,2,0,0,0,0|1,0,0]=3 11356 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)I 527a_100011217757_100000187904 [0,2,0,0,0,0|1,0,0]=3 11357 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)O 240690a_100011217757_100000212099 [0,2,0,0,0,0|1,0,0]=3 11358 B17R1.39 CCCOCCCNC(=O)c1ccc(cc1)O 527a_100011217757_100000212099 [0,2,0,0,0,0|1,0,0]=3 11359 B17R1.39 CCCOCCNCC(=O)c1ccc(cc1)Br 34a_100161115042_100000188085 [0,2,0,0,0,0|2,0,0]=4 11360 B17R1.39 CCCOCCNCC(=O)c1ccc(cc1)C 2230a_100161115042_100000211441 [0,2,0,0,0,0|2,0,0]=4 11361 B17R1.39 CCCOCCNCC(=O)c1ccc(cc1)C 34a_100161115042_100000211441 [0,2,0,0,0,0|2,0,0]=4 11362 B17R1.39 CCCOCCNCC(=O)c1ccc(cc1)I 34a_100161115042_100011216261 [0,2,0,0,0,0|2,0,0]=4 11363 B17R1.39 CCCOCCNCC(=O)c1ccc(cc1)O 34a_100161115042_100009814261 [0,2,0,0,0,0|2,0,0]=4 11364 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)Br 34a_100000752267_100000188085 [0,2,0,0,0,0|1,0,0]=3 11365 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)Br 7a_100000752267_100000188085 [0,2,0,0,0,0|1,0,0]=3 11366 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)C 34a_100000752267_100000211441 [0,2,0,0,0,0|1,0,0]=3 11367 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)C 7a_100000752267_100000211441 [0,2,0,0,0,0|1,0,0]=3 11368 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)Cl 7a_100000752267_100000211071 [0,2,0,0,0,0|1,0,0]=3 11369 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100011215938 [0,2,0,0,0,0|1,0,0]=3 11370 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)F 7a_100000752267_100000211279 [0,2,0,0,0,0|1,0,0]=3 11371 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)I 34a_100000752267_100011216261 [0,2,0,0,0,0|1,0,0]=3 11372 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)I 7a_100000752267_100011216261 [0,2,0,0,0,0|1,0,0]=3 11373 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)O 34a_100000752267_100009814261 [0,2,0,0,0,0|1,0,0]=3 11374 B17R1.39 CCCOCCOCC(=O)c1ccc(cc1)O 7a_100000752267_100000018856 [0,2,0,0,0,0|1,0,0]=3 11375 B17R1.39 CCCOCCOCC(=O)c1ccc(cn1)Cl 7a_100000752267_100016989621 [0,2,0,0,0,0|2,0,0]=4 11376 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011215938 [0,2,0,0,0,0|1,1,0]=4 11377 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100011215938 [0,2,0,0,0,0|1,1,0]=4 11378 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)C 62a_100011215938_100000211441 [0,2,0,0,0,0|1,1,0]=4 11379 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011215938 [0,2,0,0,0,0|1,1,0]=4 11380 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)Cl 62a_100011215938_100000211071 [0,2,0,0,0,0|1,1,0]=4 11381 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100011215938 [0,2,0,0,0,0|1,1,0]=4 11382 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)F 62a_100011215938_100000211279 [0,2,0,0,0,0|1,1,0]=4 11383 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)I 62a_100011215938_100011216261 [0,2,0,0,0,0|1,1,0]=4 11384 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100011215938 [0,2,0,0,0,0|1,1,0]=4 11385 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011215938 [0,2,0,0,0,0|1,1,0]=4 11386 B17R1.39 CCCOCCSCC(=O)c1ccc(cc1)O 62a_100011215938_100009814261 [0,2,0,0,0,0|1,1,0]=4 11387 B17R1.39 CCCSCCNCC(=O)c1ccc(cc1)C 2230a_100020603323_100000211441 [0,2,0,0,0,0|2,0,0]=4 11388 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)Br 34a_200000230433_100000188085 [0,2,0,0,0,0|1,0,0]=3 11389 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)Br 7a_200000230433_100000188085 [0,2,0,0,0,0|1,0,0]=3 11390 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)C 34a_200000230433_100000211441 [0,2,0,0,0,0|1,0,0]=3 11391 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)C 7a_200000230433_100000211441 [0,2,0,0,0,0|1,0,0]=3 11392 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)Cl 7a_200000230433_100000211071 [0,2,0,0,0,0|1,0,0]=3 11393 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)F 7a_200000230433_100000211279 [0,2,0,0,0,0|1,0,0]=3 11394 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)I 34a_200000230433_100011216261 [0,2,0,0,0,0|1,0,0]=3 11395 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)I 7a_200000230433_100011216261 [0,2,0,0,0,0|1,0,0]=3 11396 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)O 34a_200000230433_100009814261 [0,2,0,0,0,0|1,0,0]=3 11397 B17R1.39 CCCSCCOCC(=O)c1ccc(cc1)O 7a_200000230433_100000018856 [0,2,0,0,0,0|1,0,0]=3 11398 B17R1.39 CCCSCCOCC(=O)c1ccc(cn1)Cl 7a_200000230433_100016989621 [0,2,0,0,0,0|2,0,0]=4 11399 B17R1.39 CCOCCCNCC(=O)c1ccc(cc1)Br 34a_100000210961_100000188085 [0,2,0,0,0,0|2,0,0]=4 11400 B17R1.39 CCOCCCNCC(=O)c1ccc(cc1)C 2230a_100000210961_100000211441 [0,2,0,0,0,0|2,0,0]=4 11401 B17R1.39 CCOCCCNCC(=O)c1ccc(cc1)C 34a_100000210961_100000211441 [0,2,0,0,0,0|2,0,0]=4 11402 B17R1.39 CCOCCCNCC(=O)c1ccc(cc1)I 34a_100000210961_100011216261 [0,2,0,0,0,0|2,0,0]=4 11403 B17R1.39 CCOCCCNCC(=O)c1ccc(cc1)O 34a_100000210961_100009814261 [0,2,0,0,0,0|2,0,0]=4 11404 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)Br 34a_100000757476_100000188085 [0,2,0,0,0,0|1,0,0]=3 11405 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)Br 7a_100000757476_100000188085 [0,2,0,0,0,0|1,0,0]=3 11406 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)C 34a_100000757476_100000211441 [0,2,0,0,0,0|1,0,0]=3 11407 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)C 7a_100000757476_100000211441 [0,2,0,0,0,0|1,0,0]=3 11408 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)Cl 7a_100000757476_100000211071 [0,2,0,0,0,0|1,0,0]=3 11409 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100012232248 [0,2,0,0,0,0|1,0,0]=3 11410 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)F 7a_100000757476_100000211279 [0,2,0,0,0,0|1,0,0]=3 11411 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)I 34a_100000757476_100011216261 [0,2,0,0,0,0|1,0,0]=3 11412 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)I 7a_100000757476_100011216261 [0,2,0,0,0,0|1,0,0]=3 11413 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)O 34a_100000757476_100009814261 [0,2,0,0,0,0|1,0,0]=3 11414 B17R1.39 CCOCCCOCC(=O)c1ccc(cc1)O 7a_100000757476_100000018856 [0,2,0,0,0,0|1,0,0]=3 11415 B17R1.39 CCOCCCOCC(=O)c1ccc(cn1)Cl 7a_100000757476_100016989621 [0,2,0,0,0,0|2,0,0]=4 11416 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100012232248 [0,2,0,0,0,0|1,1,0]=4 11417 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100012232248 [0,2,0,0,0,0|1,1,0]=4 11418 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)C 62a_100012232248_100000211441 [0,2,0,0,0,0|1,1,0]=4 11419 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100012232248 [0,2,0,0,0,0|1,1,0]=4 11420 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)Cl 62a_100012232248_100000211071 [0,2,0,0,0,0|1,1,0]=4 11421 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100012232248 [0,2,0,0,0,0|1,1,0]=4 11422 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)F 62a_100012232248_100000211279 [0,2,0,0,0,0|1,1,0]=4 11423 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100012232248 [0,2,0,0,0,0|1,1,0]=4 11424 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)I 62a_100012232248_100011216261 [0,2,0,0,0,0|1,1,0]=4 11425 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100012232248 [0,2,0,0,0,0|1,1,0]=4 11426 B17R1.39 CCOCCCSCC(=O)c1ccc(cc1)O 62a_100012232248_100009814261 [0,2,0,0,0,0|1,1,0]=4 11427 B17R1.39 CCOCCNCCC(=O)c1ccc(cc1)C 2230a_102516460346_100000701375 [0,2,0,0,0,0|2,0,0]=4 11428 B17R1.39 CCOCCNCCC(=O)c1ccc(cc1)F 2230a_102516460346_100000211231 [0,2,0,0,0,0|2,0,0]=4 11429 B17R1.39 CCOCCNCCC(=O)c1ccc(cc1)O 2230a_102516460346_100009879949 [0,2,0,0,0,0|2,0,0]=4 11430 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011211534 [0,2,0,0,0,0|2,0,0]=4 11431 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)Br 7a_100000210136_100011215963 [0,2,0,0,0,0|2,0,0]=4 11432 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011211534 [0,2,0,0,0,0|2,0,0]=4 11433 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)C 7a_100000210136_100000701375 [0,2,0,0,0,0|2,0,0]=4 11434 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011211534 [0,2,0,0,0,0|2,0,0]=4 11435 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)Cl 7a_100000210136_100011216492 [0,2,0,0,0,0|2,0,0]=4 11436 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011211534 [0,2,0,0,0,0|2,0,0]=4 11437 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)F 7a_100000210136_100000211231 [0,2,0,0,0,0|2,0,0]=4 11438 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011211534 [0,2,0,0,0,0|2,0,0]=4 11439 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011211534 [0,2,0,0,0,0|2,0,0]=4 11440 B17R1.39 CCOCCOCCC(=O)c1ccc(cc1)O 7a_100000210136_100009879949 [0,2,0,0,0,0|2,0,0]=4 11441 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)Br 62a_100000210147_100011215963 [0,2,0,0,0,0|2,0,0]=4 11442 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100011215890 [0,2,0,0,0,0|2,0,0]=4 11443 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)C 62a_100000210147_100000701375 [0,2,0,0,0,0|2,0,0]=4 11444 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100011215890 [0,2,0,0,0,0|2,0,0]=4 11445 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)Cl 62a_100000210147_100011216492 [0,2,0,0,0,0|2,0,0]=4 11446 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100011215890 [0,2,0,0,0,0|2,0,0]=4 11447 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)F 62a_100000210147_100000211231 [0,2,0,0,0,0|2,0,0]=4 11448 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100011215890 [0,2,0,0,0,0|2,0,0]=4 11449 B17R1.39 CCOCCSCCC(=O)c1ccc(cc1)O 62a_100000210147_100009879949 [0,2,0,0,0,0|2,0,0]=4 11450 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000739092 [0,2,0,0,0,0|2,0,0]=4 11451 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)Br 62a_100000739092_100000211046 [0,2,0,0,0,0|2,0,0]=4 11452 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)Cl 62a_100000739092_200011217871 [0,2,0,0,0,0|2,0,0]=4 11453 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000739092 [0,2,0,0,0,0|2,0,0]=4 11454 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000739092 [0,2,0,0,0,0|2,0,0]=4 11455 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)F 62a_100000739092_100000211961 [0,2,0,0,0,0|2,0,0]=4 11456 B17R1.39 CCOCSCCCC(=O)c1ccc(cc1)O 62a_100000739092_100000039620 [0,2,0,0,0,0|2,0,0]=4 11457 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)Br 34a_100011216438_100000188085 [0,2,0,0,0,0|1,0,0]=3 11458 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)Br 7a_100011216438_100000188085 [0,2,0,0,0,0|1,0,0]=3 11459 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)C 34a_100011216438_100000211441 [0,2,0,0,0,0|1,0,0]=3 11460 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)C 7a_100011216438_100000211441 [0,2,0,0,0,0|1,0,0]=3 11461 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)Cl 7a_100011216438_100000211071 [0,2,0,0,0,0|1,0,0]=3 11462 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)F 7a_100011216438_100000211279 [0,2,0,0,0,0|1,0,0]=3 11463 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)I 34a_100011216438_100011216261 [0,2,0,0,0,0|1,0,0]=3 11464 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)I 7a_100011216438_100011216261 [0,2,0,0,0,0|1,0,0]=3 11465 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)O 34a_100011216438_100009814261 [0,2,0,0,0,0|1,0,0]=3 11466 B17R1.39 CCSCCCOCC(=O)c1ccc(cc1)O 7a_100011216438_100000018856 [0,2,0,0,0,0|1,0,0]=3 11467 B17R1.39 CCSCCCOCC(=O)c1ccc(cn1)Cl 7a_100011216438_100016989621 [0,2,0,0,0,0|2,0,0]=4 11468 B17R1.39 CCSCCNCCC(=O)c1ccc(cc1)C 2230a_100000106463_100000701375 [0,2,0,0,0,0|2,0,0]=4 11469 B17R1.39 CCSCCNCCC(=O)c1ccc(cc1)F 2230a_100000106463_100000211231 [0,2,0,0,0,0|2,0,0]=4 11470 B17R1.39 CCSCCNCCC(=O)c1ccc(cc1)O 2230a_100000106463_100009879949 [0,2,0,0,0,0|2,0,0]=4 11471 B17R1.39 CCSCCOCCC(=O)c1ccc(cc1)Br 7a_100000212035_100011215963 [0,2,0,0,0,0|2,0,0]=4 11472 B17R1.39 CCSCCOCCC(=O)c1ccc(cc1)C 7a_100000212035_100000701375 [0,2,0,0,0,0|2,0,0]=4 11473 B17R1.39 CCSCCOCCC(=O)c1ccc(cc1)Cl 7a_100000212035_100011216492 [0,2,0,0,0,0|2,0,0]=4 11474 B17R1.39 CCSCCOCCC(=O)c1ccc(cc1)F 7a_100000212035_100000211231 [0,2,0,0,0,0|2,0,0]=4 11475 B17R1.39 CCSCCOCCC(=O)c1ccc(cc1)O 7a_100000212035_100009879949 [0,2,0,0,0,0|2,0,0]=4 11476 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)Br 62a_100000757381_100011215963 [0,2,0,0,0,0|2,0,0]=4 11477 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000757381 [0,2,0,0,0,0|2,0,0]=4 11478 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000757381 [0,2,0,0,0,0|2,0,0]=4 11479 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)C 62a_100000757381_100000701375 [0,2,0,0,0,0|2,0,0]=4 11480 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)Cl 62a_100000757381_100011216492 [0,2,0,0,0,0|2,0,0]=4 11481 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000757381 [0,2,0,0,0,0|2,0,0]=4 11482 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000757381 [0,2,0,0,0,0|2,0,0]=4 11483 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)F 62a_100000757381_100000211231 [0,2,0,0,0,0|2,0,0]=4 11484 B17R1.39 CCSCCSCCC(=O)c1ccc(cc1)O 62a_100000757381_100009879949 [0,2,0,0,0,0|2,0,0]=4 11485 B17R1.39 CNCCCCCOC(C)c1ccc(cc1)Br 34a_100000722520_100000755118 [0,2,0,0,0,0|1,0,1]=4 11486 B17R1.39 CNCCCCCOC(C)c1ccc(cc1)C 34a_100000722520_100011261388 [0,2,0,0,0,0|1,0,1]=4 11487 B17R1.39 CNCCCCCOC(C)c1ccc(cc1)F 34a_100000722520_100000743420 [0,2,0,0,0,0|1,0,1]=4 11488 B17R1.39 COCCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011998445 [0,2,0,0,0,0|1,0,0]=3 11489 B17R1.39 COCCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011998445 [0,2,0,0,0,0|1,0,0]=3 11490 B17R1.39 COCCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011998445 [0,2,0,0,0,0|1,0,0]=3 11491 B17R1.39 COCCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011998445 [0,2,0,0,0,0|1,0,0]=3 11492 B17R1.39 COCCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011998445 [0,2,0,0,0,0|1,0,0]=3 11493 B17R1.39 COCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011998445 [0,2,0,0,0,0|1,0,0]=3 11494 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Br 11a_100000747528_100000185839 [0,2,0,0,0,0|1,0,0]=3 11495 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Br 1626a_100000747528_100000185839 [0,2,0,0,0,0|1,0,0]=3 11496 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Br 240690a_100000747528_100000185839 [0,2,0,0,0,0|1,0,0]=3 11497 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Br 527a_100000747528_100000185839 [0,2,0,0,0,0|1,0,0]=3 11498 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)C 11a_100000747528_100000188618 [0,2,0,0,0,0|1,0,0]=3 11499 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)C 1626a_100000747528_100000188618 [0,2,0,0,0,0|1,0,0]=3 11500 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)C 240690a_100000747528_100000188618 [0,2,0,0,0,0|1,0,0]=3 11501 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)C 527a_100000747528_100000188618 [0,2,0,0,0,0|1,0,0]=3 11502 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Cl 11a_100000747528_100000210187 [0,2,0,0,0,0|1,0,0]=3 11503 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000747528_100000210187 [0,2,0,0,0,0|1,0,0]=3 11504 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000747528_100000210187 [0,2,0,0,0,0|1,0,0]=3 11505 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)Cl 527a_100000747528_100000210187 [0,2,0,0,0,0|1,0,0]=3 11506 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)F 11a_100000747528_100000187176 [0,2,0,0,0,0|1,0,0]=3 11507 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)F 1626a_100000747528_100000187176 [0,2,0,0,0,0|1,0,0]=3 11508 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)F 240690a_100000747528_100000187176 [0,2,0,0,0,0|1,0,0]=3 11509 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)F 527a_100000747528_100000187176 [0,2,0,0,0,0|1,0,0]=3 11510 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)I 11a_100000747528_100000187904 [0,2,0,0,0,0|1,0,0]=3 11511 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)I 1626a_100000747528_100000187904 [0,2,0,0,0,0|1,0,0]=3 11512 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)I 240690a_100000747528_100000187904 [0,2,0,0,0,0|1,0,0]=3 11513 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)I 527a_100000747528_100000187904 [0,2,0,0,0,0|1,0,0]=3 11514 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)O 240690a_100000747528_100000212099 [0,2,0,0,0,0|1,0,0]=3 11515 B17R1.39 COCCCCCNC(=O)c1ccc(cc1)O 527a_100000747528_100000212099 [0,2,0,0,0,0|1,0,0]=3 11516 B17R1.39 COCCCCOCC(=O)c1ccc(cc1)Br 34a_100000740925_100000188085 [0,2,0,0,0,0|1,0,0]=3 11517 B17R1.39 COCCCCOCC(=O)c1ccc(cc1)C 34a_100000740925_100000211441 [0,2,0,0,0,0|1,0,0]=3 11518 B17R1.39 COCCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000755781 [0,2,0,0,0,0|1,0,0]=3 11519 B17R1.39 COCCCCOCC(=O)c1ccc(cc1)I 34a_100000740925_100011216261 [0,2,0,0,0,0|1,0,0]=3 11520 B17R1.39 COCCCCOCC(=O)c1ccc(cc1)O 34a_100000740925_100009814261 [0,2,0,0,0,0|1,0,0]=3 11521 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000730899 [0,2,0,0,0,0|1,1,0]=4 11522 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000730899 [0,2,0,0,0,0|1,1,0]=4 11523 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)C 62a_100000730899_100000211441 [0,2,0,0,0,0|1,1,0]=4 11524 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000730899 [0,2,0,0,0,0|1,1,0]=4 11525 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)Cl 62a_100000730899_100000211071 [0,2,0,0,0,0|1,1,0]=4 11526 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000730899 [0,2,0,0,0,0|1,1,0]=4 11527 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)F 62a_100000730899_100000211279 [0,2,0,0,0,0|1,1,0]=4 11528 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)I 62a_100000730899_100011216261 [0,2,0,0,0,0|1,1,0]=4 11529 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000730899 [0,2,0,0,0,0|1,1,0]=4 11530 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)O 62a_100000730899_100009814261 [0,2,0,0,0,0|1,1,0]=4 11531 B17R1.39 COCCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000730899 [0,2,0,0,0,0|1,1,0]=4 11532 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)Br 62a_100000709357_100011215963 [0,2,0,0,0,0|2,0,0]=4 11533 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000709357 [0,2,0,0,0,0|2,0,0]=4 11534 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000709357 [0,2,0,0,0,0|2,0,0]=4 11535 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)C 62a_100000709357_100000701375 [0,2,0,0,0,0|2,0,0]=4 11536 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)Cl 62a_100000709357_100011216492 [0,2,0,0,0,0|2,0,0]=4 11537 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000709357 [0,2,0,0,0,0|2,0,0]=4 11538 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000709357 [0,2,0,0,0,0|2,0,0]=4 11539 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)F 62a_100000709357_100000211231 [0,2,0,0,0,0|2,0,0]=4 11540 B17R1.39 COCCCSCCC(=O)c1ccc(cc1)O 62a_100000709357_100009879949 [0,2,0,0,0,0|2,0,0]=4 11541 B17R1.39 COCCNCCCC(=O)c1ccc(cc1)Br 2230a_100000209980_100000211046 [0,2,0,0,0,0|2,0,0]=4 11542 B17R1.39 COCCNCCCC(=O)c1ccc(cc1)F 2230a_100000209980_100000211961 [0,2,0,0,0,0|2,0,0]=4 11543 B17R1.39 COCCNCCCC(=O)c1ccc(cc1)O 2230a_100000209980_100000039620 [0,2,0,0,0,0|2,0,0]=4 11544 B17R1.39 COCCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100011201679 [0,2,0,0,0,0|2,0,0]=4 11545 B17R1.39 COCCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100011201679 [0,2,0,0,0,0|2,0,0]=4 11546 B17R1.39 COCCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100011201679 [0,2,0,0,0,0|2,0,0]=4 11547 B17R1.39 COCCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100011201679 [0,2,0,0,0,0|2,0,0]=4 11548 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011216529 [0,2,0,0,0,0|2,0,0]=4 11549 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)Br 34a_100000210237_100000211046 [0,2,0,0,0,0|2,0,0]=4 11550 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011216529 [0,2,0,0,0,0|2,0,0]=4 11551 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011216529 [0,2,0,0,0,0|2,0,0]=4 11552 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011216529 [0,2,0,0,0,0|2,0,0]=4 11553 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011216529 [0,2,0,0,0,0|2,0,0]=4 11554 B17R1.39 COCCOCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011216529 [0,2,0,0,0,0|2,0,0]=4 11555 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Br 11a_100000745349_100000185839 [0,2,0,0,0,0|2,0,0]=4 11556 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Br 1626a_100000745349_100000185839 [0,2,0,0,0,0|2,0,0]=4 11557 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Br 240690a_100000745349_100000185839 [0,2,0,0,0,0|2,0,0]=4 11558 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100011201679 [0,2,0,0,0,0|2,0,0]=4 11559 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Br 527a_100000745349_100000185839 [0,2,0,0,0,0|2,0,0]=4 11560 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)C 11a_100000745349_100000188618 [0,2,0,0,0,0|2,0,0]=4 11561 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)C 1626a_100000745349_100000188618 [0,2,0,0,0,0|2,0,0]=4 11562 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)C 240690a_100000745349_100000188618 [0,2,0,0,0,0|2,0,0]=4 11563 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100011201679 [0,2,0,0,0,0|2,0,0]=4 11564 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)C 527a_100000745349_100000188618 [0,2,0,0,0,0|2,0,0]=4 11565 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000233755 [0,2,0,0,0,0|2,0,0]=4 11566 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Cl 11a_100000745349_100000210187 [0,2,0,0,0,0|2,0,0]=4 11567 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Cl 1626a_100000745349_100000210187 [0,2,0,0,0,0|2,0,0]=4 11568 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Cl 240690a_100000745349_100000210187 [0,2,0,0,0,0|2,0,0]=4 11569 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)Cl 527a_100000745349_100000210187 [0,2,0,0,0,0|2,0,0]=4 11570 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)F 11a_100000745349_100000187176 [0,2,0,0,0,0|2,0,0]=4 11571 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)F 1626a_100000745349_100000187176 [0,2,0,0,0,0|2,0,0]=4 11572 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)F 240690a_100000745349_100000187176 [0,2,0,0,0,0|2,0,0]=4 11573 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)F 527a_100000745349_100000187176 [0,2,0,0,0,0|2,0,0]=4 11574 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)I 11a_100000745349_100000187904 [0,2,0,0,0,0|2,0,0]=4 11575 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)I 1626a_100000745349_100000187904 [0,2,0,0,0,0|2,0,0]=4 11576 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)I 240690a_100000745349_100000187904 [0,2,0,0,0,0|2,0,0]=4 11577 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)I 527a_100000745349_100000187904 [0,2,0,0,0,0|2,0,0]=4 11578 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100011201679 [0,2,0,0,0,0|2,0,0]=4 11579 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)O 240690a_100000745349_100000212099 [0,2,0,0,0,0|2,0,0]=4 11580 B17R1.39 COCCOCCNC(=O)c1ccc(cc1)O 527a_100000745349_100000212099 [0,2,0,0,0,0|2,0,0]=4 11581 B17R1.39 COCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000233755 [0,2,0,0,0,0|1,0,0]=3 11582 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000233755 [0,2,0,0,0,0|2,0,0]=4 11583 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)Br 62a_100000233755_100000211046 [0,2,0,0,0,0|2,0,0]=4 11584 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)Cl 62a_100000233755_200011217871 [0,2,0,0,0,0|2,0,0]=4 11585 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000233755 [0,2,0,0,0,0|2,0,0]=4 11586 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000233755 [0,2,0,0,0,0|2,0,0]=4 11587 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)F 62a_100000233755_100000211961 [0,2,0,0,0,0|2,0,0]=4 11588 B17R1.39 COCCSCCCC(=O)c1ccc(cc1)O 62a_100000233755_100000039620 [0,2,0,0,0,0|2,0,0]=4 11589 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)Br 34a_100011217163_100000188085 [0,2,0,0,0,0|1,0,0]=3 11590 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)Br 7a_100011217163_100000188085 [0,2,0,0,0,0|1,0,0]=3 11591 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)C 34a_100011217163_100000211441 [0,2,0,0,0,0|1,0,0]=3 11592 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)C 7a_100011217163_100000211441 [0,2,0,0,0,0|1,0,0]=3 11593 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)Cl 7a_100011217163_100000211071 [0,2,0,0,0,0|1,0,0]=3 11594 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)F 7a_100011217163_100000211279 [0,2,0,0,0,0|1,0,0]=3 11595 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)I 34a_100011217163_100011216261 [0,2,0,0,0,0|1,0,0]=3 11596 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)I 7a_100011217163_100011216261 [0,2,0,0,0,0|1,0,0]=3 11597 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)O 34a_100011217163_100009814261 [0,2,0,0,0,0|1,0,0]=3 11598 B17R1.39 CSCCCCOCC(=O)c1ccc(cc1)O 7a_100011217163_100000018856 [0,2,0,0,0,0|1,0,0]=3 11599 B17R1.39 CSCCCCOCC(=O)c1ccc(cn1)Cl 7a_100011217163_100016989621 [0,2,0,0,0,0|2,0,0]=4 11600 B17R1.39 CSCCCNCCC(=O)c1ccc(cc1)C 2230a_100000749238_100000701375 [0,2,0,0,0,0|2,0,0]=4 11601 B17R1.39 CSCCCNCCC(=O)c1ccc(cc1)F 2230a_100000749238_100000211231 [0,2,0,0,0,0|2,0,0]=4 11602 B17R1.39 CSCCCNCCC(=O)c1ccc(cc1)O 2230a_100000749238_100009879949 [0,2,0,0,0,0|2,0,0]=4 11603 B17R1.39 CSCCCOCCC(=O)c1ccc(cc1)Br 7a_100000690336_100011215963 [0,2,0,0,0,0|2,0,0]=4 11604 B17R1.39 CSCCCOCCC(=O)c1ccc(cc1)C 7a_100000690336_100000701375 [0,2,0,0,0,0|2,0,0]=4 11605 B17R1.39 CSCCCOCCC(=O)c1ccc(cc1)Cl 7a_100000690336_100011216492 [0,2,0,0,0,0|2,0,0]=4 11606 B17R1.39 CSCCCOCCC(=O)c1ccc(cc1)F 7a_100000690336_100000211231 [0,2,0,0,0,0|2,0,0]=4 11607 B17R1.39 CSCCCOCCC(=O)c1ccc(cc1)O 7a_100000690336_100009879949 [0,2,0,0,0,0|2,0,0]=4 11608 B17R1.39 CSCCNCCCC(=O)c1ccc(cc1)Br 2230a_100020590264_100000211046 [0,2,0,0,0,0|2,0,0]=4 11609 B17R1.39 CSCCNCCCC(=O)c1ccc(cc1)F 2230a_100020590264_100000211961 [0,2,0,0,0,0|2,0,0]=4 11610 B17R1.39 CSCCNCCCC(=O)c1ccc(cc1)O 2230a_100020590264_100000039620 [0,2,0,0,0,0|2,0,0]=4 11611 B17R1.39 CSCCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000751147 [0,2,0,0,0,0|2,0,0]=4 11612 B17R1.39 CSCCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000212216 [0,2,0,0,0,0|2,0,0]=4 11613 B17R1.39 CSCCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000751147 [0,2,0,0,0,0|2,0,0]=4 11614 B17R1.39 CSCCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000212216 [0,2,0,0,0,0|2,0,0]=4 11615 B17R1.39 CSCCOCCCC(=O)c1ccc(cc1)Br 34a_100000230434_100000211046 [0,2,0,0,0,0|2,0,0]=4 11616 B17R1.39 CSCCOCCCC(=O)c1ccc(cc1)Br 7a_100000230434_100000211046 [0,2,0,0,0,0|2,0,0]=4 11617 B17R1.39 CSCCOCCCC(=O)c1ccc(cc1)Cl 7a_100000230434_200011217871 [0,2,0,0,0,0|2,0,0]=4 11618 B17R1.39 CSCCOCCCC(=O)c1ccc(cc1)F 7a_100000230434_100000211961 [0,2,0,0,0,0|2,0,0]=4 11619 B17R1.39 CSCCOCCCC(=O)c1ccc(cc1)O 7a_100000230434_100000039620 [0,2,0,0,0,0|2,0,0]=4 11620 B17R1.39 CSCCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000212216 [0,2,0,0,0,0|2,0,0]=4 11621 B17R1.39 CSCCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100000212216 [0,2,0,0,0,0|2,0,0]=4 11622 B17R1.39 CSCCOCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000212216 [0,2,0,0,0,0|2,0,0]=4 11623 B17R1.39 CSCCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000212216 [0,2,0,0,0,0|2,0,0]=4 11624 B17R1.39 CSCCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000212216 [0,2,0,0,0,0|1,0,0]=3 11625 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000751147 [0,2,0,0,0,0|2,0,0]=4 11626 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)Br 62a_100000212216_100000211046 [0,2,0,0,0,0|2,0,0]=4 11627 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)Cl 62a_100000212216_200011217871 [0,2,0,0,0,0|2,0,0]=4 11628 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000751147 [0,2,0,0,0,0|2,0,0]=4 11629 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000751147 [0,2,0,0,0,0|2,0,0]=4 11630 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)F 62a_100000212216_100000211961 [0,2,0,0,0,0|2,0,0]=4 11631 B17R1.39 CSCCSCCCC(=O)c1ccc(cc1)O 62a_100000212216_100000039620 [0,2,0,0,0,0|2,0,0]=4 11632 B17R1.39 C[C@H](OCCCCCCF)c1ccc(cc1)Cl 34a_100011852131_100015922095 [0,2,0,0,0,0|1,0,1]=4 11633 B17R1.39 C[C@H](OCCCCCCF)c1ccc(cc1)Cl 7a_100011852131_100015922095 [0,2,0,0,0,0|1,0,1]=4 11634 B17R1.39 C[C@H](OCCCCCCO)c1ccc(cc1)Cl 34a_100011852131_100000766143 [0,2,0,0,0,0|1,0,1]=4 11635 B17R1.39 C[C@H](OCCCCCCO)c1ccc(cc1)Cl 7a_100011852131_100000766143 [0,2,0,0,0,0|1,0,1]=4 11636 B17R1.39 Cc1ccc(cc1)C(=O)CCCCCCC#N 1458a_100000188618_100009813337 [0,2,0,0,0,0|1,0,1]=4 11637 B17R1.39 Cc1ccc(cc1)C(=O)CCCCCCCO 1458a_100000188618_100000760002 [0,2,0,0,0,0|1,0,0]=3 11638 B17R1.39 Cc1ccc(cc1)C(=O)CCNCCCCO 2230a_100000750430_100000701375 [0,2,0,0,0,0|2,0,0]=4 11639 B17R1.39 Cc1ccc(cc1)C(=O)CCOCCCCCl 7a_100000210776_100000701375 [0,2,0,0,0,0|2,0,0]=4 11640 B17R1.39 Cc1ccc(cc1)C(=O)CCOCCCCF 7a_100011995726_100000701375 [0,2,0,0,0,0|2,0,0]=4 11641 B17R1.39 Cc1ccc(cc1)C(=O)CCSCCCCF 62a_100000701375_100000729493 [0,2,0,0,0,0|2,0,0]=4 11642 B17R1.39 Cc1ccc(cc1)C(=O)CCSCCCCF 62a_100000729493_100000701375 [0,2,0,0,0,0|2,0,0]=4 11643 B17R1.39 Cc1ccc(cc1)C(=O)CCSCCCCO 62a_100000210776_100000701375 [0,2,0,0,0,0|2,0,0]=4 11644 B17R1.39 Cc1ccc(cc1)C(=O)CCSCCCCO 62a_100000701375_100000210776 [0,2,0,0,0,0|2,0,0]=4 11645 B17R1.39 Cc1ccc(cc1)C(=O)CNCCCCCO 2230a_100000762737_100000211441 [0,2,0,0,0,0|2,0,0]=4 11646 B17R1.39 Cc1ccc(cc1)C(=O)CNCCCCCO 34a_100000762737_100000211441 [0,2,0,0,0,0|2,0,0]=4 11647 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCBr 34a_100000746331_100000211441 [0,2,0,0,0,0|1,0,0]=3 11648 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCBr 7a_100000746331_100000211441 [0,2,0,0,0,0|1,0,0]=3 11649 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCCl 34a_100000746330_100000211441 [0,2,0,0,0,0|1,0,0]=3 11650 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCCl 7a_100000746330_100000211441 [0,2,0,0,0,0|1,0,0]=3 11651 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCI 34a_200012148887_100000211441 [0,2,0,0,0,0|1,0,0]=3 11652 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCI 7a_200012148887_100000211441 [0,2,0,0,0,0|1,0,0]=3 11653 B17R1.39 Cc1ccc(cc1)C(=O)COCCCCCN 34a_100000762737_100000211441 [0,2,0,0,0,0|1,0,0]=3 11654 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCBr 34a_100000692535_100000211441 [0,2,0,0,0,0|2,0,0]=4 11655 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCBr 7a_100000692535_100000211441 [0,2,0,0,0,0|2,0,0]=4 11656 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCCl 34a_100011215305_100000211441 [0,2,0,0,0,0|2,0,0]=4 11657 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCCl 7a_100011215305_100000211441 [0,2,0,0,0,0|2,0,0]=4 11658 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCF 34a_200015357709_100000211441 [0,2,0,0,0,0|2,0,0]=4 11659 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCF 7a_200015357709_100000211441 [0,2,0,0,0,0|2,0,0]=4 11660 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCI 34a_100012149058_100000211441 [0,2,0,0,0,0|2,0,0]=4 11661 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCI 7a_100012149058_100000211441 [0,2,0,0,0,0|2,0,0]=4 11662 B17R1.39 Cc1ccc(cc1)C(=O)COCCOCCN 34a_100000211614_100000211441 [0,2,0,0,0,0|2,0,0]=4 11663 B17R1.39 Cc1ccc(cc1)C(=O)CSCCCCCF 62a_100000211441_100000729378 [0,2,0,0,0,0|1,1,0]=4 11664 B17R1.39 Cc1ccc(cc1)C(=O)CSCCCCCF 62a_100000729378_100000211441 [0,2,0,0,0,0|1,1,0]=4 11665 B17R1.39 Cc1ccc(cc1)C(=O)CSCCCCCO 62a_100000211441_100000746330 [0,2,0,0,0,0|1,1,0]=4 11666 B17R1.39 Cc1ccc(cc1)C(=O)CSCCCCCO 62a_100000746330_100000211441 [0,2,0,0,0,0|1,1,0]=4 11667 B17R1.39 Cc1ccc(cc1)C(=O)NCCCCCC#N 11a_100000061152_100000188618 [0,2,0,0,0,0|1,0,1]=4 11668 B17R1.39 Cc1ccc(cc1)C(=O)NCCCCCC#N 1626a_100000061152_100000188618 [0,2,0,0,0,0|1,0,1]=4 11669 B17R1.39 Cc1ccc(cc1)C(=O)NCCCCCC#N 240690a_100000061152_100000188618 [0,2,0,0,0,0|1,0,1]=4 11670 B17R1.39 Cc1ccc(cc1)C(=O)NCCCCCC#N 527a_100000061152_100000188618 [0,2,0,0,0,0|1,0,1]=4 11671 B17R1.39 Cc1ccc(cc1)C(=O)NCCCCCCO 240690a_100000686447_100000188618 [0,2,0,0,0,0|1,0,0]=3 11672 B17R1.39 Cc1ccc(cc1)C(=O)NCCCCCCO 527a_100000686447_100000188618 [0,2,0,0,0,0|1,0,0]=3 11673 B17R1.39 Cc1ccc(cc1)C(=O)NCCOCCCF 34a_200000158910_100011934791 [0,2,0,0,0,0|2,0,0]=4 11674 B17R1.39 Cc1ccc(cc1)C(=O)NCCOCCCF 7a_200000158910_100011934791 [0,2,0,0,0,0|2,0,0]=4 11675 B17R1.39 Cc1ccc(cc1)C(=O)NCCOCCCO 34a_200000158910_100000230001 [0,2,0,0,0,0|2,0,0]=4 11676 B17R1.39 Cc1ccc(cc1)C(=O)NCCOCCCO 7a_200000158910_100011215043 [0,2,0,0,0,0|2,0,0]=4 11677 B17R1.39 Cc1ccc(cc1)C(=O)OCCOCCC#N 7a_200000031072_100000184422 [0,2,0,0,0,0|1,0,1]=4 11678 B17R1.39 Cc1ccc(cc1)C(=O)OCCOCCCF 7a_200000031072_100011934791 [0,2,0,0,0,0|1,0,0]=3 11679 B17R1.39 Cc1ccc(cc1)C(=O)OCCOCCCO 7a_200000031072_100011215043 [0,2,0,0,0,0|1,0,0]=3 11680 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCBr 34a_100011215345_100011261388 [0,2,0,0,0,0|1,0,1]=4 11681 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCBr 7a_100011215345_100011261388 [0,2,0,0,0,0|1,0,1]=4 11682 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCCl 34a_100000766143_100011261388 [0,2,0,0,0,0|1,0,1]=4 11683 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCCl 7a_100000766143_100011261388 [0,2,0,0,0,0|1,0,1]=4 11684 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCF 34a_100000732779_100011261388 [0,2,0,0,0,0|1,0,1]=4 11685 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCF 7a_100000732779_100011261388 [0,2,0,0,0,0|1,0,1]=4 11686 B17R1.39 Cc1ccc(cc1)C(C)OCCCCCCN 34a_100000686447_100011261388 [0,2,0,0,0,0|1,0,1]=4 11687 B17R1.39 Cc1ccc(cc1)[C@@H](C)OCCCCCCF 34a_100000690690_100015922095 [0,2,0,0,0,0|1,0,1]=4 11688 B17R1.39 Cc1ccc(cc1)[C@@H](C)OCCCCCCF 7a_100000690690_100015922095 [0,2,0,0,0,0|1,0,1]=4 11689 B17R1.39 Cc1ccc(cc1)[C@@H](C)OCCCCCCO 34a_100000690690_100000766143 [0,2,0,0,0,0|1,0,1]=4 11690 B17R1.39 Cc1ccc(cc1)[C@@H](C)OCCCCCCO 7a_100000690690_100000766143 [0,2,0,0,0,0|1,0,1]=4 11691 B17R1.39 N#CCCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100009813337 [0,2,0,0,0,0|1,0,1]=4 11692 B17R1.39 N#CCCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100009813337 [0,2,0,0,0,0|1,0,1]=4 11693 B17R1.39 N#CCCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100009813337 [0,2,0,0,0,0|1,0,1]=4 11694 B17R1.39 N#CCCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100009813337 [0,2,0,0,0,0|1,0,1]=4 11695 B17R1.39 N#CCCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100009813337 [0,2,0,0,0,0|1,0,1]=4 11696 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Br 11a_100000061152_100000185839 [0,2,0,0,0,0|1,0,1]=4 11697 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Br 1626a_100000061152_100000185839 [0,2,0,0,0,0|1,0,1]=4 11698 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Br 240690a_100000061152_100000185839 [0,2,0,0,0,0|1,0,1]=4 11699 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Br 527a_100000061152_100000185839 [0,2,0,0,0,0|1,0,1]=4 11700 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Cl 11a_100000061152_100000210187 [0,2,0,0,0,0|1,0,1]=4 11701 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000061152_100000210187 [0,2,0,0,0,0|1,0,1]=4 11702 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000061152_100000210187 [0,2,0,0,0,0|1,0,1]=4 11703 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)Cl 527a_100000061152_100000210187 [0,2,0,0,0,0|1,0,1]=4 11704 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)F 11a_100000061152_100000187176 [0,2,0,0,0,0|1,0,1]=4 11705 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)F 1626a_100000061152_100000187176 [0,2,0,0,0,0|1,0,1]=4 11706 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)F 240690a_100000061152_100000187176 [0,2,0,0,0,0|1,0,1]=4 11707 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)F 527a_100000061152_100000187176 [0,2,0,0,0,0|1,0,1]=4 11708 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)I 11a_100000061152_100000187904 [0,2,0,0,0,0|1,0,1]=4 11709 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)I 1626a_100000061152_100000187904 [0,2,0,0,0,0|1,0,1]=4 11710 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)I 240690a_100000061152_100000187904 [0,2,0,0,0,0|1,0,1]=4 11711 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)I 527a_100000061152_100000187904 [0,2,0,0,0,0|1,0,1]=4 11712 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)O 240690a_100000061152_100000212099 [0,2,0,0,0,0|1,0,1]=4 11713 B17R1.39 N#CCCCCCNC(=O)c1ccc(cc1)O 527a_100000061152_100000212099 [0,2,0,0,0,0|1,0,1]=4 11714 B17R1.39 NCCCCCOCC(=O)c1ccc(cc1)Br 34a_100000762737_100000188085 [0,2,0,0,0,0|1,0,0]=3 11715 B17R1.39 NCCCCCOCC(=O)c1ccc(cc1)I 34a_100000762737_100011216261 [0,2,0,0,0,0|1,0,0]=3 11716 B17R1.39 NCCCCCOCC(=O)c1ccc(cc1)O 34a_100000762737_100009814261 [0,2,0,0,0,0|1,0,0]=3 11717 B17R1.39 NCCCOCCCC(=O)c1ccc(cc1)Br 34a_100000182051_100000211046 [0,2,0,0,0,0|2,0,0]=4 11718 B17R1.39 NCCOCCOCC(=O)c1ccc(cc1)Br 34a_100000211614_100000188085 [0,2,0,0,0,0|2,0,0]=4 11719 B17R1.39 NCCOCCOCC(=O)c1ccc(cc1)I 34a_100000211614_100011216261 [0,2,0,0,0,0|2,0,0]=4 11720 B17R1.39 NCCOCCOCC(=O)c1ccc(cc1)O 34a_100000211614_100009814261 [0,2,0,0,0,0|2,0,0]=4 11721 B17R1.39 Nc1ccc(cc1)C(=O)NCCOCCCF 34a_100000740983_100011934791 [0,2,0,0,0,0|2,0,0]=4 11722 B17R1.39 Nc1ccc(cc1)C(=O)NCCOCCCO 34a_100000740983_100000230001 [0,2,0,0,0,0|2,0,0]=4 11723 B17R1.39 O=C(CCCCCCCO)c1ccc(cc1)Br 1458a_100000185839_100000760002 [0,2,0,0,0,0|1,0,0]=3 11724 B17R1.39 O=C(CCCCCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000760002 [0,2,0,0,0,0|1,0,0]=3 11725 B17R1.39 O=C(CCCCCCCO)c1ccc(cc1)F 1458a_100000187176_100000760002 [0,2,0,0,0,0|1,0,0]=3 11726 B17R1.39 O=C(CCCCCCCO)c1ccc(cc1)I 1458a_100000187904_100000760002 [0,2,0,0,0,0|1,0,0]=3 11727 B17R1.39 O=C(CCCCCCCO)c1ccc(cc1)O 1458a_100000212099_100000760002 [0,2,0,0,0,0|1,0,0]=3 11728 B17R1.39 O=C(CCCNCCCF)c1ccc(cc1)Br 2230a_100015189416_100000211046 [0,2,0,0,0,0|2,0,0]=4 11729 B17R1.39 O=C(CCCNCCCF)c1ccc(cc1)Br 34a_100015189416_100000211046 [0,2,0,0,0,0|2,0,0]=4 11730 B17R1.39 O=C(CCCNCCCF)c1ccc(cc1)F 2230a_100015189416_100000211961 [0,2,0,0,0,0|2,0,0]=4 11731 B17R1.39 O=C(CCCNCCCF)c1ccc(cc1)O 2230a_100015189416_100000039620 [0,2,0,0,0,0|2,0,0]=4 11732 B17R1.39 O=C(CCCOCCCBr)c1ccc(cc1)Br 34a_100011217188_100000211046 [0,2,0,0,0,0|2,0,0]=4 11733 B17R1.39 O=C(CCCOCCCCl)c1ccc(cc1)Br 34a_100000230001_100000211046 [0,2,0,0,0,0|2,0,0]=4 11734 B17R1.39 O=C(CCCOCCCF)c1ccc(cc1)Br 34a_100000759539_100000211046 [0,2,0,0,0,0|2,0,0]=4 11735 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)Br 62a_100000211046_100011934791 [0,2,0,0,0,0|2,0,0]=4 11736 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)Br 62a_100011934791_100000211046 [0,2,0,0,0,0|2,0,0]=4 11737 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)Cl 62a_100011934791_200011217871 [0,2,0,0,0,0|2,0,0]=4 11738 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)Cl 62a_200011217871_100011934791 [0,2,0,0,0,0|2,0,0]=4 11739 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)F 62a_100000211961_100011934791 [0,2,0,0,0,0|2,0,0]=4 11740 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)F 62a_100011934791_100000211961 [0,2,0,0,0,0|2,0,0]=4 11741 B17R1.39 O=C(CCCSCCCF)c1ccc(cc1)O 62a_100011934791_100000039620 [0,2,0,0,0,0|2,0,0]=4 11742 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)Br 62a_100000211046_100011215043 [0,2,0,0,0,0|2,0,0]=4 11743 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)Br 62a_100011215043_100000211046 [0,2,0,0,0,0|2,0,0]=4 11744 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)Cl 62a_100011215043_200011217871 [0,2,0,0,0,0|2,0,0]=4 11745 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)Cl 62a_200011217871_100011215043 [0,2,0,0,0,0|2,0,0]=4 11746 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)F 62a_100000211961_100011215043 [0,2,0,0,0,0|2,0,0]=4 11747 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)F 62a_100011215043_100000211961 [0,2,0,0,0,0|2,0,0]=4 11748 B17R1.39 O=C(CCCSCCCO)c1ccc(cc1)O 62a_100011215043_100000039620 [0,2,0,0,0,0|2,0,0]=4 11749 B17R1.39 O=C(CCNCCCCO)c1ccc(cc1)F 2230a_100000750430_100000211231 [0,2,0,0,0,0|2,0,0]=4 11750 B17R1.39 O=C(CCNCCCCO)c1ccc(cc1)O 2230a_100000750430_100009879949 [0,2,0,0,0,0|2,0,0]=4 11751 B17R1.39 O=C(CCOCCCCCl)c1ccc(cc1)Br 7a_100000210776_100011215963 [0,2,0,0,0,0|2,0,0]=4 11752 B17R1.39 O=C(CCOCCCCCl)c1ccc(cc1)Cl 7a_100000210776_100011216492 [0,2,0,0,0,0|2,0,0]=4 11753 B17R1.39 O=C(CCOCCCCCl)c1ccc(cc1)F 7a_100000210776_100000211231 [0,2,0,0,0,0|2,0,0]=4 11754 B17R1.39 O=C(CCOCCCCCl)c1ccc(cc1)O 7a_100000210776_100009879949 [0,2,0,0,0,0|2,0,0]=4 11755 B17R1.39 O=C(CCOCCCCF)c1ccc(cc1)Br 7a_100011995726_100011215963 [0,2,0,0,0,0|2,0,0]=4 11756 B17R1.39 O=C(CCOCCCCF)c1ccc(cc1)Cl 7a_100011995726_100011216492 [0,2,0,0,0,0|2,0,0]=4 11757 B17R1.39 O=C(CCOCCCCF)c1ccc(cc1)F 7a_100011995726_100000211231 [0,2,0,0,0,0|2,0,0]=4 11758 B17R1.39 O=C(CCOCCCCF)c1ccc(cc1)O 7a_100011995726_100009879949 [0,2,0,0,0,0|2,0,0]=4 11759 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)Br 62a_100000729493_100011215963 [0,2,0,0,0,0|2,0,0]=4 11760 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)Br 62a_100011215963_100000729493 [0,2,0,0,0,0|2,0,0]=4 11761 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)Cl 62a_100000729493_100011216492 [0,2,0,0,0,0|2,0,0]=4 11762 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)Cl 62a_100011216492_100000729493 [0,2,0,0,0,0|2,0,0]=4 11763 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)F 62a_100000211231_100000729493 [0,2,0,0,0,0|2,0,0]=4 11764 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)F 62a_100000729493_100000211231 [0,2,0,0,0,0|2,0,0]=4 11765 B17R1.39 O=C(CCSCCCCF)c1ccc(cc1)O 62a_100000729493_100009879949 [0,2,0,0,0,0|2,0,0]=4 11766 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)Br 62a_100000210776_100011215963 [0,2,0,0,0,0|2,0,0]=4 11767 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)Br 62a_100011215963_100000210776 [0,2,0,0,0,0|2,0,0]=4 11768 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)Cl 62a_100000210776_100011216492 [0,2,0,0,0,0|2,0,0]=4 11769 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)Cl 62a_100011216492_100000210776 [0,2,0,0,0,0|2,0,0]=4 11770 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)F 62a_100000210776_100000211231 [0,2,0,0,0,0|2,0,0]=4 11771 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)F 62a_100000211231_100000210776 [0,2,0,0,0,0|2,0,0]=4 11772 B17R1.39 O=C(CCSCCCCO)c1ccc(cc1)O 62a_100000210776_100009879949 [0,2,0,0,0,0|2,0,0]=4 11773 B17R1.39 O=C(CNCCCCCO)c1ccc(cc1)Br 34a_100000762737_100000188085 [0,2,0,0,0,0|2,0,0]=4 11774 B17R1.39 O=C(CNCCCCCO)c1ccc(cc1)I 34a_100000762737_100011216261 [0,2,0,0,0,0|2,0,0]=4 11775 B17R1.39 O=C(CNCCCCCO)c1ccc(cc1)O 34a_100000762737_100009814261 [0,2,0,0,0,0|2,0,0]=4 11776 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)Br 34a_100000746331_100000188085 [0,2,0,0,0,0|1,0,0]=3 11777 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)Br 7a_100000746331_100000188085 [0,2,0,0,0,0|1,0,0]=3 11778 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)Cl 7a_100000746331_100000211071 [0,2,0,0,0,0|1,0,0]=3 11779 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)F 7a_100000746331_100000211279 [0,2,0,0,0,0|1,0,0]=3 11780 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)I 34a_100000746331_100011216261 [0,2,0,0,0,0|1,0,0]=3 11781 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)I 7a_100000746331_100011216261 [0,2,0,0,0,0|1,0,0]=3 11782 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)O 34a_100000746331_100009814261 [0,2,0,0,0,0|1,0,0]=3 11783 B17R1.39 O=C(COCCCCCBr)c1ccc(cc1)O 7a_100000746331_100000018856 [0,2,0,0,0,0|1,0,0]=3 11784 B17R1.39 O=C(COCCCCCBr)c1ccc(cn1)Cl 7a_100000746331_100016989621 [0,2,0,0,0,0|2,0,0]=4 11785 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)Br 34a_100000746330_100000188085 [0,2,0,0,0,0|1,0,0]=3 11786 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)Br 7a_100000746330_100000188085 [0,2,0,0,0,0|1,0,0]=3 11787 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)Cl 7a_100000746330_100000211071 [0,2,0,0,0,0|1,0,0]=3 11788 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)F 7a_100000746330_100000211279 [0,2,0,0,0,0|1,0,0]=3 11789 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)I 34a_100000746330_100011216261 [0,2,0,0,0,0|1,0,0]=3 11790 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)I 7a_100000746330_100011216261 [0,2,0,0,0,0|1,0,0]=3 11791 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)O 34a_100000746330_100009814261 [0,2,0,0,0,0|1,0,0]=3 11792 B17R1.39 O=C(COCCCCCCl)c1ccc(cc1)O 7a_100000746330_100000018856 [0,2,0,0,0,0|1,0,0]=3 11793 B17R1.39 O=C(COCCCCCCl)c1ccc(cn1)Cl 7a_100000746330_100016989621 [0,2,0,0,0,0|2,0,0]=4 11794 B17R1.39 O=C(COCCCCCF)c1ccc(cc1)F 34a_100000246311_100000729378 [0,2,0,0,0,0|1,0,0]=3 11795 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)Br 34a_200012148887_100000188085 [0,2,0,0,0,0|1,0,0]=3 11796 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)Br 7a_200012148887_100000188085 [0,2,0,0,0,0|1,0,0]=3 11797 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)Cl 7a_200012148887_100000211071 [0,2,0,0,0,0|1,0,0]=3 11798 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)F 7a_200012148887_100000211279 [0,2,0,0,0,0|1,0,0]=3 11799 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)I 34a_200012148887_100011216261 [0,2,0,0,0,0|1,0,0]=3 11800 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)I 7a_200012148887_100011216261 [0,2,0,0,0,0|1,0,0]=3 11801 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)O 34a_200012148887_100009814261 [0,2,0,0,0,0|1,0,0]=3 11802 B17R1.39 O=C(COCCCCCI)c1ccc(cc1)O 7a_200012148887_100000018856 [0,2,0,0,0,0|1,0,0]=3 11803 B17R1.39 O=C(COCCCCCI)c1ccc(cn1)Cl 7a_200012148887_100016989621 [0,2,0,0,0,0|2,0,0]=4 11804 B17R1.39 O=C(COCCCCCO)c1ccc(cc1)F 34a_100000246311_100000746330 [0,2,0,0,0,0|1,0,0]=3 11805 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)Br 34a_100000692535_100000188085 [0,2,0,0,0,0|2,0,0]=4 11806 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)Br 7a_100000692535_100000188085 [0,2,0,0,0,0|2,0,0]=4 11807 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)Cl 7a_100000692535_100000211071 [0,2,0,0,0,0|2,0,0]=4 11808 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)F 7a_100000692535_100000211279 [0,2,0,0,0,0|2,0,0]=4 11809 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)I 34a_100000692535_100011216261 [0,2,0,0,0,0|2,0,0]=4 11810 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)I 7a_100000692535_100011216261 [0,2,0,0,0,0|2,0,0]=4 11811 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)O 34a_100000692535_100009814261 [0,2,0,0,0,0|2,0,0]=4 11812 B17R1.39 O=C(COCCOCCBr)c1ccc(cc1)O 7a_100000692535_100000018856 [0,2,0,0,0,0|2,0,0]=4 11813 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)Br 34a_100011215305_100000188085 [0,2,0,0,0,0|2,0,0]=4 11814 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)Br 7a_100011215305_100000188085 [0,2,0,0,0,0|2,0,0]=4 11815 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)Cl 7a_100011215305_100000211071 [0,2,0,0,0,0|2,0,0]=4 11816 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)F 7a_100011215305_100000211279 [0,2,0,0,0,0|2,0,0]=4 11817 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)I 34a_100011215305_100011216261 [0,2,0,0,0,0|2,0,0]=4 11818 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)I 7a_100011215305_100011216261 [0,2,0,0,0,0|2,0,0]=4 11819 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)O 34a_100011215305_100009814261 [0,2,0,0,0,0|2,0,0]=4 11820 B17R1.39 O=C(COCCOCCCl)c1ccc(cc1)O 7a_100011215305_100000018856 [0,2,0,0,0,0|2,0,0]=4 11821 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)Br 34a_200015357709_100000188085 [0,2,0,0,0,0|2,0,0]=4 11822 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)Br 7a_200015357709_100000188085 [0,2,0,0,0,0|2,0,0]=4 11823 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)Cl 7a_200015357709_100000211071 [0,2,0,0,0,0|2,0,0]=4 11824 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)F 7a_200015357709_100000211279 [0,2,0,0,0,0|2,0,0]=4 11825 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)I 34a_200015357709_100011216261 [0,2,0,0,0,0|2,0,0]=4 11826 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)I 7a_200015357709_100011216261 [0,2,0,0,0,0|2,0,0]=4 11827 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)O 34a_200015357709_100009814261 [0,2,0,0,0,0|2,0,0]=4 11828 B17R1.39 O=C(COCCOCCF)c1ccc(cc1)O 7a_200015357709_100000018856 [0,2,0,0,0,0|2,0,0]=4 11829 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)Br 34a_100012149058_100000188085 [0,2,0,0,0,0|2,0,0]=4 11830 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)Br 7a_100012149058_100000188085 [0,2,0,0,0,0|2,0,0]=4 11831 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)Cl 7a_100012149058_100000211071 [0,2,0,0,0,0|2,0,0]=4 11832 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)F 7a_100012149058_100000211279 [0,2,0,0,0,0|2,0,0]=4 11833 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)I 34a_100012149058_100011216261 [0,2,0,0,0,0|2,0,0]=4 11834 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)I 7a_100012149058_100011216261 [0,2,0,0,0,0|2,0,0]=4 11835 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)O 34a_100012149058_100009814261 [0,2,0,0,0,0|2,0,0]=4 11836 B17R1.39 O=C(COCCOCCI)c1ccc(cc1)O 7a_100012149058_100000018856 [0,2,0,0,0,0|2,0,0]=4 11837 B17R1.39 O=C(COCCOCCO)c1ccc(cc1)F 34a_100000246311_100000692535 [0,2,0,0,0,0|2,0,0]=4 11838 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)Br 62a_100000188085_100000729378 [0,2,0,0,0,0|1,1,0]=4 11839 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)Cl 62a_100000211071_100000729378 [0,2,0,0,0,0|1,1,0]=4 11840 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)Cl 62a_100000729378_100000211071 [0,2,0,0,0,0|1,1,0]=4 11841 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)F 62a_100000211279_100000729378 [0,2,0,0,0,0|1,1,0]=4 11842 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)F 62a_100000729378_100000211279 [0,2,0,0,0,0|1,1,0]=4 11843 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)I 62a_100000729378_100011216261 [0,2,0,0,0,0|1,1,0]=4 11844 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)I 62a_100011216261_100000729378 [0,2,0,0,0,0|1,1,0]=4 11845 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)O 62a_100000729378_100009814261 [0,2,0,0,0,0|1,1,0]=4 11846 B17R1.39 O=C(CSCCCCCF)c1ccc(cc1)O 62a_100009814261_100000729378 [0,2,0,0,0,0|1,1,0]=4 11847 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)Br 62a_100000188085_100000746330 [0,2,0,0,0,0|1,1,0]=4 11848 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)Cl 62a_100000211071_100000746330 [0,2,0,0,0,0|1,1,0]=4 11849 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)Cl 62a_100000746330_100000211071 [0,2,0,0,0,0|1,1,0]=4 11850 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)F 62a_100000211279_100000746330 [0,2,0,0,0,0|1,1,0]=4 11851 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)F 62a_100000746330_100000211279 [0,2,0,0,0,0|1,1,0]=4 11852 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)I 62a_100000746330_100011216261 [0,2,0,0,0,0|1,1,0]=4 11853 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)I 62a_100011216261_100000746330 [0,2,0,0,0,0|1,1,0]=4 11854 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)O 62a_100000746330_100009814261 [0,2,0,0,0,0|1,1,0]=4 11855 B17R1.39 O=C(CSCCCCCO)c1ccc(cc1)O 62a_100009814261_100000746330 [0,2,0,0,0,0|1,1,0]=4 11856 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)Br 240690a_100000686447_100000185839 [0,2,0,0,0,0|1,0,0]=3 11857 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)Br 527a_100000686447_100000185839 [0,2,0,0,0,0|1,0,0]=3 11858 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)Cl 240690a_100000686447_100000210187 [0,2,0,0,0,0|1,0,0]=3 11859 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)Cl 527a_100000686447_100000210187 [0,2,0,0,0,0|1,0,0]=3 11860 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)F 240690a_100000686447_100000187176 [0,2,0,0,0,0|1,0,0]=3 11861 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)F 527a_100000686447_100000187176 [0,2,0,0,0,0|1,0,0]=3 11862 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)I 240690a_100000686447_100000187904 [0,2,0,0,0,0|1,0,0]=3 11863 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)I 527a_100000686447_100000187904 [0,2,0,0,0,0|1,0,0]=3 11864 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)O 240690a_100000686447_100000212099 [0,2,0,0,0,0|1,0,0]=3 11865 B17R1.39 O=C(NCCCCCCO)c1ccc(cc1)O 527a_100000686447_100000212099 [0,2,0,0,0,0|1,0,0]=3 11866 B17R1.39 O=C(NCCNCCCF)c1ccc(cc1)Cl 2230a_100000736292_100011934791 [0,2,0,0,0,0|2,0,0]=4 11867 B17R1.39 O=C(NCCNCCCF)c1ccc(cc1)Cl 34a_100000736292_100011934791 [0,2,0,0,0,0|2,0,0]=4 11868 B17R1.39 O=C(NCCNCCCF)c1ccc(cc1)F 2230a_100000753910_100011934791 [0,2,0,0,0,0|2,0,0]=4 11869 B17R1.39 O=C(NCCNCCCF)c1ccc(cc1)F 34a_100000753910_100011934791 [0,2,0,0,0,0|2,0,0]=4 11870 B17R1.39 O=C(NCCNCCCO)c1ccc(cc1)Cl 2230a_100000736292_100000230001 [0,2,0,0,0,0|2,0,0]=4 11871 B17R1.39 O=C(NCCNCCCO)c1ccc(cc1)Cl 34a_100000736292_100000230001 [0,2,0,0,0,0|2,0,0]=4 11872 B17R1.39 O=C(NCCNCCCO)c1ccc(cc1)F 2230a_100000753910_100000230001 [0,2,0,0,0,0|2,0,0]=4 11873 B17R1.39 O=C(NCCNCCCO)c1ccc(cc1)F 34a_100000753910_100000230001 [0,2,0,0,0,0|2,0,0]=4 11874 B17R1.39 O=C(NCCOCCCF)c1ccc(cc1)Br 34a_200000158904_100011934791 [0,2,0,0,0,0|2,0,0]=4 11875 B17R1.39 O=C(NCCOCCCO)c1ccc(cc1)Br 34a_200000158904_100000230001 [0,2,0,0,0,0|2,0,0]=4 11876 B17R1.39 [2H]C(OCCCCCCC)c1ccc(cc1)F 34a_217856618577_100000210614 [0,2,0,0,0,0|1,0,1]=4 11877 B17R1.39 [2H]C(OCCCCCCC)c1ccc(cc1)F 7a_217856618577_100000210614 [0,2,0,0,0,0|1,0,1]=4 11878 B17R1.39 [2H]C(OCCCCCCF)c1ccc(cc1)F 34a_217856618577_100015922095 [0,2,0,0,0,0|1,0,1]=4 11879 B17R1.39 [2H]C(OCCCCCCF)c1ccc(cc1)F 7a_217856618577_100015922095 [0,2,0,0,0,0|1,0,1]=4 11880 B17R1.39 [2H]C(OCCCCCCO)c1ccc(cc1)F 34a_217856618577_100000766143 [0,2,0,0,0,0|1,0,1]=4 11881 B17R1.39 [2H]C(OCCCCCCO)c1ccc(cc1)F 7a_217856618577_100000766143 [0,2,0,0,0,0|1,0,1]=4 11882 B17R1.39 [2H]C(OCCOCCCC)c1ccc(cc1)F 34a_217856618577_100000743108 [0,2,0,0,0,0|1,0,1]=4 11883 B17R1.39 [2H]C(OCCOCCCC)c1ccc(cc1)F 7a_217856618577_100000743108 [0,2,0,0,0,0|1,0,1]=4 11884 B17R1.40 C#CCCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100012276617 [0,2,0,0,0,0|1,0,1]=4 11885 B17R1.40 C#CCCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100012276617 [0,2,0,0,0,0|1,0,1]=4 11886 B17R1.40 C#CCCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012276617 [0,2,0,0,0,0|1,0,1]=4 11887 B17R1.40 C#CCCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100012276617 [0,2,0,0,0,0|1,0,1]=4 11888 B17R1.40 C#CCCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100012276617 [0,2,0,0,0,0|1,0,1]=4 11889 B17R1.40 C#CCCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100012276617 [0,2,0,0,0,0|1,0,1]=4 11890 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)Br 34a_100000766709_100000212080 [0,2,0,0,0,0|0,0,2]=4 11891 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)Br 7a_100000766709_100000212080 [0,2,0,0,0,0|0,0,2]=4 11892 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)C 34a_100000766709_100000739480 [0,2,0,0,0,0|0,0,2]=4 11893 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)C 7a_100000766709_100000739480 [0,2,0,0,0,0|0,0,2]=4 11894 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)Cl 34a_100000766709_100000211444 [0,2,0,0,0,0|0,0,2]=4 11895 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)Cl 7a_100000766709_100000211444 [0,2,0,0,0,0|0,0,2]=4 11896 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100010269958 [0,2,0,0,0,0|0,0,2]=4 11897 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)F 34a_100000766709_100000215616 [0,2,0,0,0,0|0,0,2]=4 11898 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100010269958 [0,2,0,0,0,0|0,0,2]=4 11899 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100010269958 [0,2,0,0,0,0|0,0,2]=4 11900 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)O 34a_100000766709_100009813753 [0,2,0,0,0,0|0,0,2]=4 11901 B17R1.40 C#CCCCCOCC(=O)c1cccc(c1)O 7a_100000766709_100009813753 [0,2,0,0,0,0|0,0,2]=4 11902 B17R1.40 C=CCCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215473 [0,2,0,0,0,0|1,0,1]=4 11903 B17R1.40 C=CCCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215473 [0,2,0,0,0,0|1,0,1]=4 11904 B17R1.40 C=CCCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215473 [0,2,0,0,0,0|1,0,1]=4 11905 B17R1.40 C=CCCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215473 [0,2,0,0,0,0|1,0,1]=4 11906 B17R1.40 C=CCCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215473 [0,2,0,0,0,0|1,0,1]=4 11907 B17R1.40 C=CCCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215473 [0,2,0,0,0,0|1,0,1]=4 11908 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)Br 34a_100000766645_100000212080 [0,2,0,0,0,0|0,0,2]=4 11909 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)Br 7a_100000766645_100000212080 [0,2,0,0,0,0|0,0,2]=4 11910 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)C 34a_100000766645_100000739480 [0,2,0,0,0,0|0,0,2]=4 11911 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)C 7a_100000766645_100000739480 [0,2,0,0,0,0|0,0,2]=4 11912 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)Cl 34a_100000766645_100000211444 [0,2,0,0,0,0|0,0,2]=4 11913 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)Cl 7a_100000766645_100000211444 [0,2,0,0,0,0|0,0,2]=4 11914 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100011215482 [0,2,0,0,0,0|0,0,2]=4 11915 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)F 34a_100000766645_100000215616 [0,2,0,0,0,0|0,0,2]=4 11916 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100011215482 [0,2,0,0,0,0|0,0,2]=4 11917 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100011215482 [0,2,0,0,0,0|0,0,2]=4 11918 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)O 34a_100000766645_100009813753 [0,2,0,0,0,0|0,0,2]=4 11919 B17R1.40 C=CCCCCOCC(=O)c1cccc(c1)O 7a_100000766645_100009813753 [0,2,0,0,0,0|0,0,2]=4 11920 B17R1.40 CC(OCCCCCCF)c1cccc(c1)Br 34a_100000246457_100015922095 [0,2,0,0,0,0|1,0,1]=4 11921 B17R1.40 CC(OCCCCCCF)c1cccc(c1)Br 7a_100000246457_100015922095 [0,2,0,0,0,0|1,0,1]=4 11922 B17R1.40 CC(OCCCCCCF)c1cccc(c1)F 34a_100000744526_100015922095 [0,2,0,0,0,0|1,0,1]=4 11923 B17R1.40 CC(OCCCCCCF)c1cccc(c1)F 7a_100000744526_100015922095 [0,2,0,0,0,0|1,0,1]=4 11924 B17R1.40 CC(OCCCCCCF)c1cccc(c1)I 34a_100013085317_100015922095 [0,2,0,0,0,0|1,0,1]=4 11925 B17R1.40 CC(OCCCCCCF)c1cccc(c1)I 7a_100013085317_100015922095 [0,2,0,0,0,0|1,0,1]=4 11926 B17R1.40 CC(OCCCCCCF)c1cccc(c1)N 34a_100011217120_100015922095 [0,2,0,0,0,0|1,0,1]=4 11927 B17R1.40 CC(OCCCCCCF)c1cccc(c1)N 7a_100011217120_100015922095 [0,2,0,0,0,0|1,0,1]=4 11928 B17R1.40 CC(OCCCCCCO)c1cccc(c1)Br 34a_100000246457_100000766143 [0,2,0,0,0,0|1,0,1]=4 11929 B17R1.40 CC(OCCCCCCO)c1cccc(c1)Br 7a_100000246457_100000766143 [0,2,0,0,0,0|1,0,1]=4 11930 B17R1.40 CC(OCCCCCCO)c1cccc(c1)F 34a_100000744526_100000766143 [0,2,0,0,0,0|1,0,1]=4 11931 B17R1.40 CC(OCCCCCCO)c1cccc(c1)F 7a_100000744526_100000766143 [0,2,0,0,0,0|1,0,1]=4 11932 B17R1.40 CC(OCCCCCCO)c1cccc(c1)I 34a_100013085317_100000766143 [0,2,0,0,0,0|1,0,1]=4 11933 B17R1.40 CC(OCCCCCCO)c1cccc(c1)I 7a_100013085317_100000766143 [0,2,0,0,0,0|1,0,1]=4 11934 B17R1.40 CC(OCCCCCCO)c1cccc(c1)N 34a_100011217120_100000766143 [0,2,0,0,0,0|1,0,1]=4 11935 B17R1.40 CC(OCCCCCCO)c1cccc(c1)N 7a_100011217120_100000766143 [0,2,0,0,0,0|1,0,1]=4 11936 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)Br 34a_100016288707_100000212080 [0,2,0,0,0,0|0,0,2]=4 11937 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)Br 7a_100016288707_100000212080 [0,2,0,0,0,0|0,0,2]=4 11938 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)C 34a_100016288707_100000739480 [0,2,0,0,0,0|0,0,2]=4 11939 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)C 7a_100016288707_100000739480 [0,2,0,0,0,0|0,0,2]=4 11940 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)Cl 34a_100016288707_100000211444 [0,2,0,0,0,0|0,0,2]=4 11941 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)Cl 7a_100016288707_100000211444 [0,2,0,0,0,0|0,0,2]=4 11942 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100015370543 [0,2,0,0,0,0|0,0,2]=4 11943 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)F 34a_100011592800_100015370543 [0,2,0,0,0,0|0,0,2]=4 11944 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)F 34a_100016288707_100000215616 [0,2,0,0,0,0|0,0,2]=4 11945 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)F 7a_100011592800_100015370543 [0,2,0,0,0,0|0,0,2]=4 11946 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)O 34a_100016288707_100009813753 [0,2,0,0,0,0|0,0,2]=4 11947 B17R1.40 CC/C=C\CCOCC(=O)c1cccc(c1)O 7a_100016288707_100009813753 [0,2,0,0,0,0|0,0,2]=4 11948 B17R1.40 CC=CCCCOCC(=O)c1cccc(c1)Br 34a_100020645299_100000212080 [0,2,0,0,0,0|0,0,2]=4 11949 B17R1.40 CC=CCCCOCC(=O)c1cccc(c1)C 34a_100020645299_100000739480 [0,2,0,0,0,0|0,0,2]=4 11950 B17R1.40 CC=CCCCOCC(=O)c1cccc(c1)Cl 34a_100020645299_100000211444 [0,2,0,0,0,0|0,0,2]=4 11951 B17R1.40 CC=CCCCOCC(=O)c1cccc(c1)F 34a_100020645299_100000215616 [0,2,0,0,0,0|0,0,2]=4 11952 B17R1.40 CC=CCCCOCC(=O)c1cccc(c1)O 34a_100020645299_100009813753 [0,2,0,0,0,0|0,0,2]=4 11953 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)Br 34a_100000036655_100000212080 [0,2,0,0,0,0|0,0,2]=4 11954 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)Br 7a_100000036655_100000212080 [0,2,0,0,0,0|0,0,2]=4 11955 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)C 34a_100000036655_100000739480 [0,2,0,0,0,0|0,0,2]=4 11956 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)C 7a_100000036655_100000739480 [0,2,0,0,0,0|0,0,2]=4 11957 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)Cl 34a_100000036655_100000211444 [0,2,0,0,0,0|0,0,2]=4 11958 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)Cl 7a_100000036655_100000211444 [0,2,0,0,0,0|0,0,2]=4 11959 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)F 34a_100000036655_100000215616 [0,2,0,0,0,0|0,0,2]=4 11960 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)O 34a_100000036655_100009813753 [0,2,0,0,0,0|0,0,2]=4 11961 B17R1.40 CCC#CCCOCC(=O)c1cccc(c1)O 7a_100000036655_100009813753 [0,2,0,0,0,0|0,0,2]=4 11962 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)Br 34a_100016278788_100000212080 [0,2,0,0,0,0|0,0,2]=4 11963 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)Br 7a_100016278788_100000212080 [0,2,0,0,0,0|0,0,2]=4 11964 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)C 34a_100016278788_100000739480 [0,2,0,0,0,0|0,0,2]=4 11965 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)C 7a_100016278788_100000739480 [0,2,0,0,0,0|0,0,2]=4 11966 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)Cl 34a_100016278788_100000211444 [0,2,0,0,0,0|0,0,2]=4 11967 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)Cl 7a_100016278788_100000211444 [0,2,0,0,0,0|0,0,2]=4 11968 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)F 34a_100016278788_100000215616 [0,2,0,0,0,0|0,0,2]=4 11969 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)O 34a_100016278788_100009813753 [0,2,0,0,0,0|0,0,2]=4 11970 B17R1.40 CCC/C=C/COCC(=O)c1cccc(c1)O 7a_100016278788_100009813753 [0,2,0,0,0,0|0,0,2]=4 11971 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)Br 34a_100000034806_100000212080 [0,2,0,0,0,0|0,0,2]=4 11972 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)Br 7a_100000034806_100000212080 [0,2,0,0,0,0|0,0,2]=4 11973 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)C 34a_100000034806_100000739480 [0,2,0,0,0,0|0,0,2]=4 11974 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)C 7a_100000034806_100000739480 [0,2,0,0,0,0|0,0,2]=4 11975 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)Cl 34a_100000034806_100000211444 [0,2,0,0,0,0|0,0,2]=4 11976 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)Cl 7a_100000034806_100000211444 [0,2,0,0,0,0|0,0,2]=4 11977 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)F 34a_100000034806_100000215616 [0,2,0,0,0,0|0,0,2]=4 11978 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)O 34a_100000034806_100009813753 [0,2,0,0,0,0|0,0,2]=4 11979 B17R1.40 CCCC#CCOCC(=O)c1cccc(c1)O 7a_100000034806_100009813753 [0,2,0,0,0,0|0,0,2]=4 11980 B17R1.40 CCCCCC#CCC(=O)c1cccc(c1)Br 1458a_100000210664_100009816472 [0,2,0,0,0,0|1,0,1]=4 11981 B17R1.40 CCCCCC#CCC(=O)c1cccc(c1)C 1458a_100000189346_100009816472 [0,2,0,0,0,0|1,0,1]=4 11982 B17R1.40 CCCCCC#CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100009816472 [0,2,0,0,0,0|1,0,1]=4 11983 B17R1.40 CCCCCC#CCC(=O)c1cccc(c1)F 1458a_100000210950_100009816472 [0,2,0,0,0,0|1,0,1]=4 11984 B17R1.40 CCCCCC#CCC(=O)c1cccc(c1)I 1458a_100000184098_100009816472 [0,2,0,0,0,0|1,0,1]=4 11985 B17R1.40 CCCCCC#CCC(=O)c1cccc(c1)O 1458a_100000183914_100009816472 [0,2,0,0,0,0|1,0,1]=4 11986 B17R1.40 CCCCCC=NNC(=O)c1cccc(c1)Br 4a_100000189783_100000737632 [0,2,0,0,0,0|1,0,1]=4 11987 B17R1.40 CCCCCC=NNC(=O)c1cccc(c1)C 4a_100000189845_100000737632 [0,2,0,0,0,0|1,0,1]=4 11988 B17R1.40 CCCCCC=NNC(=O)c1cccc(c1)Cl 4a_100000183659_100000737632 [0,2,0,0,0,0|1,0,1]=4 11989 B17R1.40 CCCCCC=NNC(=O)c1cccc(c1)F 4a_100000189798_100000737632 [0,2,0,0,0,0|1,0,1]=4 11990 B17R1.40 CCCCCC=NNC(=O)c1cccc(c1)I 4a_100000186306_100000737632 [0,2,0,0,0,0|1,0,1]=4 11991 B17R1.40 CCCCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210759 [0,2,0,0,0,0|1,0,0]=3 11992 B17R1.40 CCCCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210759 [0,2,0,0,0,0|1,0,0]=3 11993 B17R1.40 CCCCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210759 [0,2,0,0,0,0|1,0,0]=3 11994 B17R1.40 CCCCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210759 [0,2,0,0,0,0|1,0,0]=3 11995 B17R1.40 CCCCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210759 [0,2,0,0,0,0|1,0,0]=3 11996 B17R1.40 CCCCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210759 [0,2,0,0,0,0|1,0,0]=3 11997 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Br 11a_100000229938_100000210664 [0,2,0,0,0,0|1,0,0]=3 11998 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Br 1626a_100000229938_100000210664 [0,2,0,0,0,0|1,0,0]=3 11999 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Br 240690a_100000229938_100000210664 [0,2,0,0,0,0|1,0,0]=3 12000 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Br 527a_100000229938_100000210664 [0,2,0,0,0,0|1,0,0]=3 12001 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)C 11a_100000229938_100000189346 [0,2,0,0,0,0|1,0,0]=3 12002 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)C 1626a_100000229938_100000189346 [0,2,0,0,0,0|1,0,0]=3 12003 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)C 240690a_100000229938_100000189346 [0,2,0,0,0,0|1,0,0]=3 12004 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)C 527a_100000229938_100000189346 [0,2,0,0,0,0|1,0,0]=3 12005 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Cl 11a_100000229938_100000210390 [0,2,0,0,0,0|1,0,0]=3 12006 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Cl 1626a_100000229938_100000210390 [0,2,0,0,0,0|1,0,0]=3 12007 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Cl 240690a_100000229938_100000210390 [0,2,0,0,0,0|1,0,0]=3 12008 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)Cl 527a_100000229938_100000210390 [0,2,0,0,0,0|1,0,0]=3 12009 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)F 11a_100000229938_100000210950 [0,2,0,0,0,0|1,0,0]=3 12010 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)F 1626a_100000229938_100000210950 [0,2,0,0,0,0|1,0,0]=3 12011 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)F 240690a_100000229938_100000210950 [0,2,0,0,0,0|1,0,0]=3 12012 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)F 527a_100000229938_100000210950 [0,2,0,0,0,0|1,0,0]=3 12013 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)I 11a_100000229938_100000184098 [0,2,0,0,0,0|1,0,0]=3 12014 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)I 1626a_100000229938_100000184098 [0,2,0,0,0,0|1,0,0]=3 12015 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)I 240690a_100000229938_100000184098 [0,2,0,0,0,0|1,0,0]=3 12016 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)I 527a_100000229938_100000184098 [0,2,0,0,0,0|1,0,0]=3 12017 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)O 240690a_100000229938_100000183914 [0,2,0,0,0,0|1,0,0]=3 12018 B17R1.40 CCCCCCCNC(=O)c1cccc(c1)O 527a_100000229938_100000183914 [0,2,0,0,0,0|1,0,0]=3 12019 B17R1.40 CCCCCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000210614 [0,2,0,0,0,0|1,0,1]=4 12020 B17R1.40 CCCCCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210614 [0,2,0,0,0,0|1,0,1]=4 12021 B17R1.40 CCCCCCCOC(C)c1cccc(c1)C 34a_100000757818_100000210614 [0,2,0,0,0,0|1,0,1]=4 12022 B17R1.40 CCCCCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210614 [0,2,0,0,0,0|1,0,1]=4 12023 B17R1.40 CCCCCCCOC(C)c1cccc(c1)F 34a_100000744526_100000210614 [0,2,0,0,0,0|1,0,1]=4 12024 B17R1.40 CCCCCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210614 [0,2,0,0,0,0|1,0,1]=4 12025 B17R1.40 CCCCCCCOC(C)c1cccc(c1)I 34a_100013085317_100000210614 [0,2,0,0,0,0|1,0,1]=4 12026 B17R1.40 CCCCCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210614 [0,2,0,0,0,0|1,0,1]=4 12027 B17R1.40 CCCCCCCOC(C)c1cccc(c1)N 34a_100011217120_100000210614 [0,2,0,0,0,0|1,0,1]=4 12028 B17R1.40 CCCCCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210614 [0,2,0,0,0,0|1,0,1]=4 12029 B17R1.40 CCCCCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210614 [0,2,0,0,0,0|1,0,1]=4 12030 B17R1.40 CCCCCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210614 [0,2,0,0,0,0|1,0,1]=4 12031 B17R1.40 CCCCCCNCC(=O)c1cccc(c1)Br 2230a_100000210581_100000212080 [0,2,0,0,0,0|1,0,0]=3 12032 B17R1.40 CCCCCCNCC(=O)c1cccc(c1)C 2230a_100000210581_100000739480 [0,2,0,0,0,0|1,0,0]=3 12033 B17R1.40 CCCCCCNCC(=O)c1cccc(c1)Cl 2230a_100000210581_100000211444 [0,2,0,0,0,0|1,0,0]=3 12034 B17R1.40 CCCCCCNCC(=O)c1cccc(c1)F 2230a_100000210581_100000215616 [0,2,0,0,0,0|1,0,0]=3 12035 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)Br 34a_100000210259_100000212080 [0,2,0,0,0,0|0,0,0]=2 12036 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)Br 7a_100000210259_100000212080 [0,2,0,0,0,0|0,0,0]=2 12037 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)C 34a_100000210259_100000739480 [0,2,0,0,0,0|0,0,0]=2 12038 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)C 7a_100000210259_100000739480 [0,2,0,0,0,0|0,0,0]=2 12039 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)Cl 34a_100000210259_100000211444 [0,2,0,0,0,0|0,0,0]=2 12040 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)Cl 7a_100000210259_100000211444 [0,2,0,0,0,0|0,0,0]=2 12041 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210314 [0,2,0,0,0,0|0,0,0]=2 12042 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)F 34a_100000210259_100000215616 [0,2,0,0,0,0|0,0,0]=2 12043 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210314 [0,2,0,0,0,0|0,0,0]=2 12044 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210314 [0,2,0,0,0,0|0,0,0]=2 12045 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)O 34a_100000210259_100009813753 [0,2,0,0,0,0|0,0,0]=2 12046 B17R1.40 CCCCCCOCC(=O)c1cccc(c1)O 7a_100000210259_100009813753 [0,2,0,0,0,0|0,0,0]=2 12047 B17R1.40 CCCCCCOCC(N)c1cccc(c1)Br 34a_100000690078_100000210314 [0,2,0,0,0,0|1,0,1]=4 12048 B17R1.40 CCCCCCOC[C@@H](N)c1cccc(c1)C 34a_100009818812_100000210314 [0,2,0,0,0,0|1,0,1]=4 12049 B17R1.40 CCCCCCOC[C@@H](N)c1cccc(c1)F 34a_100020641251_100000210314 [0,2,0,0,0,0|1,0,1]=4 12050 B17R1.40 CCCCCCOC[C@H](N)c1cccc(c1)Cl 34a_100032004910_100000210314 [0,2,0,0,0,0|1,0,1]=4 12051 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)Br 62a_100000210314_100000212080 [0,2,0,0,0,0|0,1,0]=3 12052 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210757 [0,2,0,0,0,0|0,1,0]=3 12053 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)C 62a_100000210314_100000739480 [0,2,0,0,0,0|0,1,0]=3 12054 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210757 [0,2,0,0,0,0|0,1,0]=3 12055 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)Cl 62a_100000210314_100000211444 [0,2,0,0,0,0|0,1,0]=3 12056 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210757 [0,2,0,0,0,0|0,1,0]=3 12057 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)F 62a_100000210314_100000215616 [0,2,0,0,0,0|0,1,0]=3 12058 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210757 [0,2,0,0,0,0|0,1,0]=3 12059 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)O 62a_100000210314_100009813753 [0,2,0,0,0,0|0,1,0]=3 12060 B17R1.40 CCCCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210757 [0,2,0,0,0,0|0,1,0]=3 12061 B17R1.40 CCCCCCSCC(=O)c1ccnc(c1)Cl 62a_100000210314_100009817076 [0,2,0,0,0,0|1,1,0]=4 12062 B17R1.40 CCCCCCSCC(=O)c1ccnc(c1)Cl 62a_100009817076_100000210757 [0,2,0,0,0,0|1,1,0]=4 12063 B17R1.40 CCCCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000210210 [0,2,0,0,0,0|1,0,0]=3 12064 B17R1.40 CCCCOCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000210211 [0,2,0,0,0,0|1,0,0]=3 12065 B17R1.40 CCCCOCCOC(C)c1cccc(c1)Br 34a_100000246457_100000743108 [0,2,0,0,0,0|1,0,1]=4 12066 B17R1.40 CCCCOCCOC(C)c1cccc(c1)Br 7a_100000246457_100000743108 [0,2,0,0,0,0|1,0,1]=4 12067 B17R1.40 CCCCOCCOC(C)c1cccc(c1)C 34a_100000757818_100000743108 [0,2,0,0,0,0|1,0,1]=4 12068 B17R1.40 CCCCOCCOC(C)c1cccc(c1)C 7a_100000757818_100000743108 [0,2,0,0,0,0|1,0,1]=4 12069 B17R1.40 CCCCOCCOC(C)c1cccc(c1)F 34a_100000744526_100000743108 [0,2,0,0,0,0|1,0,1]=4 12070 B17R1.40 CCCCOCCOC(C)c1cccc(c1)F 7a_100000744526_100000743108 [0,2,0,0,0,0|1,0,1]=4 12071 B17R1.40 CCCCOCCOC(C)c1cccc(c1)I 34a_100013085317_100000743108 [0,2,0,0,0,0|1,0,1]=4 12072 B17R1.40 CCCCOCCOC(C)c1cccc(c1)I 7a_100013085317_100000743108 [0,2,0,0,0,0|1,0,1]=4 12073 B17R1.40 CCCCOCCOC(C)c1cccc(c1)N 34a_100011217120_100000743108 [0,2,0,0,0,0|1,0,1]=4 12074 B17R1.40 CCCCOCCOC(C)c1cccc(c1)N 7a_100011217120_100000743108 [0,2,0,0,0,0|1,0,1]=4 12075 B17R1.40 CCCCOCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000743108 [0,2,0,0,0,0|1,0,1]=4 12076 B17R1.40 CCCCOCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000743108 [0,2,0,0,0,0|1,0,1]=4 12077 B17R1.40 CCCCOCOCC(=O)c1cccc(c1)F 34a_100011592800_100011995733 [0,2,0,0,0,0|1,0,0]=3 12078 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)Br 62a_100000212080_100011995733 [0,2,0,0,0,0|1,1,0]=4 12079 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)Br 62a_100011995733_100000212080 [0,2,0,0,0,0|1,1,0]=4 12080 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)C 62a_100000739480_100011995733 [0,2,0,0,0,0|1,1,0]=4 12081 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)C 62a_100011995733_100000739480 [0,2,0,0,0,0|1,1,0]=4 12082 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011995733 [0,2,0,0,0,0|1,1,0]=4 12083 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)Cl 62a_100011995733_100000211444 [0,2,0,0,0,0|1,1,0]=4 12084 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)F 62a_100000215616_100011995733 [0,2,0,0,0,0|1,1,0]=4 12085 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)F 62a_100011995733_100000215616 [0,2,0,0,0,0|1,1,0]=4 12086 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)O 62a_100009813753_100011995733 [0,2,0,0,0,0|1,1,0]=4 12087 B17R1.40 CCCCOCSCC(=O)c1cccc(c1)O 62a_100011995733_100009813753 [0,2,0,0,0,0|1,1,0]=4 12088 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Br 11a_100025743550_100000210664 [0,2,0,0,0,0|1,0,0]=3 12089 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Br 1626a_100025743550_100000210664 [0,2,0,0,0,0|1,0,0]=3 12090 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Br 240690a_100025743550_100000210664 [0,2,0,0,0,0|1,0,0]=3 12091 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Br 527a_100025743550_100000210664 [0,2,0,0,0,0|1,0,0]=3 12092 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)C 11a_100025743550_100000189346 [0,2,0,0,0,0|1,0,0]=3 12093 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)C 1626a_100025743550_100000189346 [0,2,0,0,0,0|1,0,0]=3 12094 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)C 240690a_100025743550_100000189346 [0,2,0,0,0,0|1,0,0]=3 12095 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)C 527a_100025743550_100000189346 [0,2,0,0,0,0|1,0,0]=3 12096 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Cl 11a_100025743550_100000210390 [0,2,0,0,0,0|1,0,0]=3 12097 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Cl 1626a_100025743550_100000210390 [0,2,0,0,0,0|1,0,0]=3 12098 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Cl 240690a_100025743550_100000210390 [0,2,0,0,0,0|1,0,0]=3 12099 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)Cl 527a_100025743550_100000210390 [0,2,0,0,0,0|1,0,0]=3 12100 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)F 11a_100025743550_100000210950 [0,2,0,0,0,0|1,0,0]=3 12101 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)F 1626a_100025743550_100000210950 [0,2,0,0,0,0|1,0,0]=3 12102 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)F 240690a_100025743550_100000210950 [0,2,0,0,0,0|1,0,0]=3 12103 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)F 527a_100025743550_100000210950 [0,2,0,0,0,0|1,0,0]=3 12104 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)I 11a_100025743550_100000184098 [0,2,0,0,0,0|1,0,0]=3 12105 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)I 1626a_100025743550_100000184098 [0,2,0,0,0,0|1,0,0]=3 12106 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)I 240690a_100025743550_100000184098 [0,2,0,0,0,0|1,0,0]=3 12107 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)I 527a_100025743550_100000184098 [0,2,0,0,0,0|1,0,0]=3 12108 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)O 240690a_100025743550_100000183914 [0,2,0,0,0,0|1,0,0]=3 12109 B17R1.40 CCCCSCCNC(=O)c1cccc(c1)O 527a_100025743550_100000183914 [0,2,0,0,0,0|1,0,0]=3 12110 B17R1.40 CCCNCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_100000210303 [0,2,0,0,0,0|1,0,0]=3 12111 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)Br 1626a_100011217757_100000210664 [0,2,0,0,0,0|1,0,0]=3 12112 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)Br 240690a_100011217757_100000210664 [0,2,0,0,0,0|1,0,0]=3 12113 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)Br 527a_100011217757_100000210664 [0,2,0,0,0,0|1,0,0]=3 12114 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)C 1626a_100011217757_100000189346 [0,2,0,0,0,0|1,0,0]=3 12115 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)C 240690a_100011217757_100000189346 [0,2,0,0,0,0|1,0,0]=3 12116 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)C 527a_100011217757_100000189346 [0,2,0,0,0,0|1,0,0]=3 12117 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)Cl 1626a_100011217757_100000210390 [0,2,0,0,0,0|1,0,0]=3 12118 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)Cl 240690a_100011217757_100000210390 [0,2,0,0,0,0|1,0,0]=3 12119 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)Cl 527a_100011217757_100000210390 [0,2,0,0,0,0|1,0,0]=3 12120 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)F 1626a_100011217757_100000210950 [0,2,0,0,0,0|1,0,0]=3 12121 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)F 240690a_100011217757_100000210950 [0,2,0,0,0,0|1,0,0]=3 12122 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)F 527a_100011217757_100000210950 [0,2,0,0,0,0|1,0,0]=3 12123 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)I 1626a_100011217757_100000184098 [0,2,0,0,0,0|1,0,0]=3 12124 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)I 240690a_100011217757_100000184098 [0,2,0,0,0,0|1,0,0]=3 12125 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)I 527a_100011217757_100000184098 [0,2,0,0,0,0|1,0,0]=3 12126 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)O 240690a_100011217757_100000183914 [0,2,0,0,0,0|1,0,0]=3 12127 B17R1.40 CCCOCCCNC(=O)c1cccc(c1)O 527a_100011217757_100000183914 [0,2,0,0,0,0|1,0,0]=3 12128 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)Br 2230a_100161115042_100000212080 [0,2,0,0,0,0|2,0,0]=4 12129 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)Br 34a_100161115042_100000212080 [0,2,0,0,0,0|2,0,0]=4 12130 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)C 2230a_100161115042_100000739480 [0,2,0,0,0,0|2,0,0]=4 12131 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)C 34a_100161115042_100000739480 [0,2,0,0,0,0|2,0,0]=4 12132 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)Cl 2230a_100161115042_100000211444 [0,2,0,0,0,0|2,0,0]=4 12133 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)Cl 34a_100161115042_100000211444 [0,2,0,0,0,0|2,0,0]=4 12134 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)F 2230a_100161115042_100000215616 [0,2,0,0,0,0|2,0,0]=4 12135 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)F 34a_100161115042_100000215616 [0,2,0,0,0,0|2,0,0]=4 12136 B17R1.40 CCCOCCNCC(=O)c1cccc(c1)O 34a_100161115042_100009813753 [0,2,0,0,0,0|2,0,0]=4 12137 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)Br 34a_100000752267_100000212080 [0,2,0,0,0,0|1,0,0]=3 12138 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)Br 7a_100000752267_100000212080 [0,2,0,0,0,0|1,0,0]=3 12139 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)C 34a_100000752267_100000739480 [0,2,0,0,0,0|1,0,0]=3 12140 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)C 7a_100000752267_100000739480 [0,2,0,0,0,0|1,0,0]=3 12141 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)Cl 34a_100000752267_100000211444 [0,2,0,0,0,0|1,0,0]=3 12142 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)Cl 7a_100000752267_100000211444 [0,2,0,0,0,0|1,0,0]=3 12143 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100011215938 [0,2,0,0,0,0|1,0,0]=3 12144 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)F 34a_100000752267_100000215616 [0,2,0,0,0,0|1,0,0]=3 12145 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)F 34a_100011592800_100011215938 [0,2,0,0,0,0|1,0,0]=3 12146 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)F 7a_100011592800_100011215938 [0,2,0,0,0,0|1,0,0]=3 12147 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)O 34a_100000752267_100009813753 [0,2,0,0,0,0|1,0,0]=3 12148 B17R1.40 CCCOCCOCC(=O)c1cccc(c1)O 7a_100000752267_100009813753 [0,2,0,0,0,0|1,0,0]=3 12149 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100011215938 [0,2,0,0,0,0|1,1,0]=4 12150 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)Br 62a_100011215938_100000212080 [0,2,0,0,0,0|1,1,0]=4 12151 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)C 62a_100000739480_100011215938 [0,2,0,0,0,0|1,1,0]=4 12152 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)C 62a_100011215938_100000739480 [0,2,0,0,0,0|1,1,0]=4 12153 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011215938 [0,2,0,0,0,0|1,1,0]=4 12154 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)Cl 62a_100011215938_100000211444 [0,2,0,0,0,0|1,1,0]=4 12155 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)F 62a_100000215616_100011215938 [0,2,0,0,0,0|1,1,0]=4 12156 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)F 62a_100011215938_100000215616 [0,2,0,0,0,0|1,1,0]=4 12157 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)O 62a_100009813753_100011215938 [0,2,0,0,0,0|1,1,0]=4 12158 B17R1.40 CCCOCCSCC(=O)c1cccc(c1)O 62a_100011215938_100009813753 [0,2,0,0,0,0|1,1,0]=4 12159 B17R1.40 CCCSCCNCC(=O)c1cccc(c1)Br 2230a_100020603323_100000212080 [0,2,0,0,0,0|2,0,0]=4 12160 B17R1.40 CCCSCCNCC(=O)c1cccc(c1)C 2230a_100020603323_100000739480 [0,2,0,0,0,0|2,0,0]=4 12161 B17R1.40 CCCSCCNCC(=O)c1cccc(c1)Cl 2230a_100020603323_100000211444 [0,2,0,0,0,0|2,0,0]=4 12162 B17R1.40 CCCSCCNCC(=O)c1cccc(c1)F 2230a_100020603323_100000215616 [0,2,0,0,0,0|2,0,0]=4 12163 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)Br 34a_200000230433_100000212080 [0,2,0,0,0,0|1,0,0]=3 12164 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)Br 7a_200000230433_100000212080 [0,2,0,0,0,0|1,0,0]=3 12165 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)C 34a_200000230433_100000739480 [0,2,0,0,0,0|1,0,0]=3 12166 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)C 7a_200000230433_100000739480 [0,2,0,0,0,0|1,0,0]=3 12167 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)Cl 34a_200000230433_100000211444 [0,2,0,0,0,0|1,0,0]=3 12168 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)Cl 7a_200000230433_100000211444 [0,2,0,0,0,0|1,0,0]=3 12169 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)F 34a_200000230433_100000215616 [0,2,0,0,0,0|1,0,0]=3 12170 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)O 34a_200000230433_100009813753 [0,2,0,0,0,0|1,0,0]=3 12171 B17R1.40 CCCSCCOCC(=O)c1cccc(c1)O 7a_200000230433_100009813753 [0,2,0,0,0,0|1,0,0]=3 12172 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)Br 2230a_100000210961_100000212080 [0,2,0,0,0,0|2,0,0]=4 12173 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)Br 34a_100000210961_100000212080 [0,2,0,0,0,0|2,0,0]=4 12174 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)C 2230a_100000210961_100000739480 [0,2,0,0,0,0|2,0,0]=4 12175 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)C 34a_100000210961_100000739480 [0,2,0,0,0,0|2,0,0]=4 12176 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)Cl 2230a_100000210961_100000211444 [0,2,0,0,0,0|2,0,0]=4 12177 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)Cl 34a_100000210961_100000211444 [0,2,0,0,0,0|2,0,0]=4 12178 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)F 2230a_100000210961_100000215616 [0,2,0,0,0,0|2,0,0]=4 12179 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)F 34a_100000210961_100000215616 [0,2,0,0,0,0|2,0,0]=4 12180 B17R1.40 CCOCCCNCC(=O)c1cccc(c1)O 34a_100000210961_100009813753 [0,2,0,0,0,0|2,0,0]=4 12181 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)Br 34a_100000757476_100000212080 [0,2,0,0,0,0|1,0,0]=3 12182 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)Br 7a_100000757476_100000212080 [0,2,0,0,0,0|1,0,0]=3 12183 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)C 34a_100000757476_100000739480 [0,2,0,0,0,0|1,0,0]=3 12184 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)C 7a_100000757476_100000739480 [0,2,0,0,0,0|1,0,0]=3 12185 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)Cl 34a_100000757476_100000211444 [0,2,0,0,0,0|1,0,0]=3 12186 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)Cl 7a_100000757476_100000211444 [0,2,0,0,0,0|1,0,0]=3 12187 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100012232248 [0,2,0,0,0,0|1,0,0]=3 12188 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)F 34a_100000757476_100000215616 [0,2,0,0,0,0|1,0,0]=3 12189 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100012232248 [0,2,0,0,0,0|1,0,0]=3 12190 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100012232248 [0,2,0,0,0,0|1,0,0]=3 12191 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)O 34a_100000757476_100009813753 [0,2,0,0,0,0|1,0,0]=3 12192 B17R1.40 CCOCCCOCC(=O)c1cccc(c1)O 7a_100000757476_100009813753 [0,2,0,0,0,0|1,0,0]=3 12193 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100012232248 [0,2,0,0,0,0|1,1,0]=4 12194 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)Br 62a_100012232248_100000212080 [0,2,0,0,0,0|1,1,0]=4 12195 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100012232248 [0,2,0,0,0,0|1,1,0]=4 12196 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)C 62a_100012232248_100000739480 [0,2,0,0,0,0|1,1,0]=4 12197 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100012232248 [0,2,0,0,0,0|1,1,0]=4 12198 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)Cl 62a_100012232248_100000211444 [0,2,0,0,0,0|1,1,0]=4 12199 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100012232248 [0,2,0,0,0,0|1,1,0]=4 12200 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)F 62a_100012232248_100000215616 [0,2,0,0,0,0|1,1,0]=4 12201 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100012232248 [0,2,0,0,0,0|1,1,0]=4 12202 B17R1.40 CCOCCCSCC(=O)c1cccc(c1)O 62a_100012232248_100009813753 [0,2,0,0,0,0|1,1,0]=4 12203 B17R1.40 CCOCCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011211534 [0,2,0,0,0,0|2,0,0]=4 12204 B17R1.40 CCOCCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011211534 [0,2,0,0,0,0|2,0,0]=4 12205 B17R1.40 CCOCCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011211534 [0,2,0,0,0,0|2,0,0]=4 12206 B17R1.40 CCOCCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011211534 [0,2,0,0,0,0|2,0,0]=4 12207 B17R1.40 CCOCCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011211534 [0,2,0,0,0,0|2,0,0]=4 12208 B17R1.40 CCOCCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011211534 [0,2,0,0,0,0|2,0,0]=4 12209 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)Br 34a_100011216438_100000212080 [0,2,0,0,0,0|1,0,0]=3 12210 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)Br 7a_100011216438_100000212080 [0,2,0,0,0,0|1,0,0]=3 12211 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)C 34a_100011216438_100000739480 [0,2,0,0,0,0|1,0,0]=3 12212 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)C 7a_100011216438_100000739480 [0,2,0,0,0,0|1,0,0]=3 12213 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)Cl 34a_100011216438_100000211444 [0,2,0,0,0,0|1,0,0]=3 12214 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)Cl 7a_100011216438_100000211444 [0,2,0,0,0,0|1,0,0]=3 12215 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)F 34a_100011216438_100000215616 [0,2,0,0,0,0|1,0,0]=3 12216 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)O 34a_100011216438_100009813753 [0,2,0,0,0,0|1,0,0]=3 12217 B17R1.40 CCSCCCOCC(=O)c1cccc(c1)O 7a_100011216438_100009813753 [0,2,0,0,0,0|1,0,0]=3 12218 B17R1.40 COCCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011998445 [0,2,0,0,0,0|1,0,0]=3 12219 B17R1.40 COCCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100011998445 [0,2,0,0,0,0|1,0,0]=3 12220 B17R1.40 COCCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011998445 [0,2,0,0,0,0|1,0,0]=3 12221 B17R1.40 COCCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100011998445 [0,2,0,0,0,0|1,0,0]=3 12222 B17R1.40 COCCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100011998445 [0,2,0,0,0,0|1,0,0]=3 12223 B17R1.40 COCCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100011998445 [0,2,0,0,0,0|1,0,0]=3 12224 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Br 11a_100000747528_100000210664 [0,2,0,0,0,0|1,0,0]=3 12225 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Br 1626a_100000747528_100000210664 [0,2,0,0,0,0|1,0,0]=3 12226 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Br 240690a_100000747528_100000210664 [0,2,0,0,0,0|1,0,0]=3 12227 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Br 527a_100000747528_100000210664 [0,2,0,0,0,0|1,0,0]=3 12228 B17R1.40 COCCCCCNC(=O)c1cccc(c1)C 11a_100000747528_100000189346 [0,2,0,0,0,0|1,0,0]=3 12229 B17R1.40 COCCCCCNC(=O)c1cccc(c1)C 1626a_100000747528_100000189346 [0,2,0,0,0,0|1,0,0]=3 12230 B17R1.40 COCCCCCNC(=O)c1cccc(c1)C 240690a_100000747528_100000189346 [0,2,0,0,0,0|1,0,0]=3 12231 B17R1.40 COCCCCCNC(=O)c1cccc(c1)C 527a_100000747528_100000189346 [0,2,0,0,0,0|1,0,0]=3 12232 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Cl 11a_100000747528_100000210390 [0,2,0,0,0,0|1,0,0]=3 12233 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Cl 1626a_100000747528_100000210390 [0,2,0,0,0,0|1,0,0]=3 12234 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Cl 240690a_100000747528_100000210390 [0,2,0,0,0,0|1,0,0]=3 12235 B17R1.40 COCCCCCNC(=O)c1cccc(c1)Cl 527a_100000747528_100000210390 [0,2,0,0,0,0|1,0,0]=3 12236 B17R1.40 COCCCCCNC(=O)c1cccc(c1)F 11a_100000747528_100000210950 [0,2,0,0,0,0|1,0,0]=3 12237 B17R1.40 COCCCCCNC(=O)c1cccc(c1)F 1626a_100000747528_100000210950 [0,2,0,0,0,0|1,0,0]=3 12238 B17R1.40 COCCCCCNC(=O)c1cccc(c1)F 240690a_100000747528_100000210950 [0,2,0,0,0,0|1,0,0]=3 12239 B17R1.40 COCCCCCNC(=O)c1cccc(c1)F 527a_100000747528_100000210950 [0,2,0,0,0,0|1,0,0]=3 12240 B17R1.40 COCCCCCNC(=O)c1cccc(c1)I 11a_100000747528_100000184098 [0,2,0,0,0,0|1,0,0]=3 12241 B17R1.40 COCCCCCNC(=O)c1cccc(c1)I 1626a_100000747528_100000184098 [0,2,0,0,0,0|1,0,0]=3 12242 B17R1.40 COCCCCCNC(=O)c1cccc(c1)I 240690a_100000747528_100000184098 [0,2,0,0,0,0|1,0,0]=3 12243 B17R1.40 COCCCCCNC(=O)c1cccc(c1)I 527a_100000747528_100000184098 [0,2,0,0,0,0|1,0,0]=3 12244 B17R1.40 COCCCCCNC(=O)c1cccc(c1)O 240690a_100000747528_100000183914 [0,2,0,0,0,0|1,0,0]=3 12245 B17R1.40 COCCCCCNC(=O)c1cccc(c1)O 527a_100000747528_100000183914 [0,2,0,0,0,0|1,0,0]=3 12246 B17R1.40 COCCCCOCC(=O)c1cccc(c1)Br 34a_100000740925_100000212080 [0,2,0,0,0,0|1,0,0]=3 12247 B17R1.40 COCCCCOCC(=O)c1cccc(c1)C 34a_100000740925_100000739480 [0,2,0,0,0,0|1,0,0]=3 12248 B17R1.40 COCCCCOCC(=O)c1cccc(c1)Cl 34a_100000740925_100000211444 [0,2,0,0,0,0|1,0,0]=3 12249 B17R1.40 COCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000730899 [0,2,0,0,0,0|1,0,0]=3 12250 B17R1.40 COCCCCOCC(=O)c1cccc(c1)F 34a_100000740925_100000215616 [0,2,0,0,0,0|1,0,0]=3 12251 B17R1.40 COCCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000755781 [0,2,0,0,0,0|1,0,0]=3 12252 B17R1.40 COCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000730899 [0,2,0,0,0,0|1,0,0]=3 12253 B17R1.40 COCCCCOCC(=O)c1cccc(c1)O 34a_100000740925_100009813753 [0,2,0,0,0,0|1,0,0]=3 12254 B17R1.40 COCCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000730899 [0,2,0,0,0,0|1,1,0]=4 12255 B17R1.40 COCCCCSCC(=O)c1cccc(c1)Br 62a_100000730899_100000212080 [0,2,0,0,0,0|1,1,0]=4 12256 B17R1.40 COCCCCSCC(=O)c1cccc(c1)C 62a_100000730899_100000739480 [0,2,0,0,0,0|1,1,0]=4 12257 B17R1.40 COCCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000730899 [0,2,0,0,0,0|1,1,0]=4 12258 B17R1.40 COCCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000730899 [0,2,0,0,0,0|1,1,0]=4 12259 B17R1.40 COCCCCSCC(=O)c1cccc(c1)Cl 62a_100000730899_100000211444 [0,2,0,0,0,0|1,1,0]=4 12260 B17R1.40 COCCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000730899 [0,2,0,0,0,0|1,1,0]=4 12261 B17R1.40 COCCCCSCC(=O)c1cccc(c1)F 62a_100000730899_100000215616 [0,2,0,0,0,0|1,1,0]=4 12262 B17R1.40 COCCCCSCC(=O)c1cccc(c1)O 62a_100000730899_100009813753 [0,2,0,0,0,0|1,1,0]=4 12263 B17R1.40 COCCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000730899 [0,2,0,0,0,0|1,1,0]=4 12264 B17R1.40 COCCOCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011216529 [0,2,0,0,0,0|2,0,0]=4 12265 B17R1.40 COCCOCCCC(=O)c1cccc(c1)C 1458a_100000189346_100011216529 [0,2,0,0,0,0|2,0,0]=4 12266 B17R1.40 COCCOCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011216529 [0,2,0,0,0,0|2,0,0]=4 12267 B17R1.40 COCCOCCCC(=O)c1cccc(c1)F 1458a_100000210950_100011216529 [0,2,0,0,0,0|2,0,0]=4 12268 B17R1.40 COCCOCCCC(=O)c1cccc(c1)I 1458a_100000184098_100011216529 [0,2,0,0,0,0|2,0,0]=4 12269 B17R1.40 COCCOCCCC(=O)c1cccc(c1)O 1458a_100000183914_100011216529 [0,2,0,0,0,0|2,0,0]=4 12270 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Br 11a_100000745349_100000210664 [0,2,0,0,0,0|2,0,0]=4 12271 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Br 1626a_100000745349_100000210664 [0,2,0,0,0,0|2,0,0]=4 12272 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Br 240690a_100000745349_100000210664 [0,2,0,0,0,0|2,0,0]=4 12273 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100011201679 [0,2,0,0,0,0|2,0,0]=4 12274 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Br 527a_100000745349_100000210664 [0,2,0,0,0,0|2,0,0]=4 12275 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000233755 [0,2,0,0,0,0|2,0,0]=4 12276 B17R1.40 COCCOCCNC(=O)c1cccc(c1)C 11a_100000745349_100000189346 [0,2,0,0,0,0|2,0,0]=4 12277 B17R1.40 COCCOCCNC(=O)c1cccc(c1)C 1626a_100000745349_100000189346 [0,2,0,0,0,0|2,0,0]=4 12278 B17R1.40 COCCOCCNC(=O)c1cccc(c1)C 240690a_100000745349_100000189346 [0,2,0,0,0,0|2,0,0]=4 12279 B17R1.40 COCCOCCNC(=O)c1cccc(c1)C 527a_100000745349_100000189346 [0,2,0,0,0,0|2,0,0]=4 12280 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Cl 11a_100000745349_100000210390 [0,2,0,0,0,0|2,0,0]=4 12281 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Cl 1626a_100000745349_100000210390 [0,2,0,0,0,0|2,0,0]=4 12282 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Cl 240690a_100000745349_100000210390 [0,2,0,0,0,0|2,0,0]=4 12283 B17R1.40 COCCOCCNC(=O)c1cccc(c1)Cl 527a_100000745349_100000210390 [0,2,0,0,0,0|2,0,0]=4 12284 B17R1.40 COCCOCCNC(=O)c1cccc(c1)F 11a_100000745349_100000210950 [0,2,0,0,0,0|2,0,0]=4 12285 B17R1.40 COCCOCCNC(=O)c1cccc(c1)F 1626a_100000745349_100000210950 [0,2,0,0,0,0|2,0,0]=4 12286 B17R1.40 COCCOCCNC(=O)c1cccc(c1)F 240690a_100000745349_100000210950 [0,2,0,0,0,0|2,0,0]=4 12287 B17R1.40 COCCOCCNC(=O)c1cccc(c1)F 527a_100000745349_100000210950 [0,2,0,0,0,0|2,0,0]=4 12288 B17R1.40 COCCOCCNC(=O)c1cccc(c1)I 11a_100000745349_100000184098 [0,2,0,0,0,0|2,0,0]=4 12289 B17R1.40 COCCOCCNC(=O)c1cccc(c1)I 1626a_100000745349_100000184098 [0,2,0,0,0,0|2,0,0]=4 12290 B17R1.40 COCCOCCNC(=O)c1cccc(c1)I 240690a_100000745349_100000184098 [0,2,0,0,0,0|2,0,0]=4 12291 B17R1.40 COCCOCCNC(=O)c1cccc(c1)I 527a_100000745349_100000184098 [0,2,0,0,0,0|2,0,0]=4 12292 B17R1.40 COCCOCCNC(=O)c1cccc(c1)O 240690a_100000745349_100000183914 [0,2,0,0,0,0|2,0,0]=4 12293 B17R1.40 COCCOCCNC(=O)c1cccc(c1)O 527a_100000745349_100000183914 [0,2,0,0,0,0|2,0,0]=4 12294 B17R1.40 COCNCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_100000766300 [0,2,0,0,0,0|2,0,0]=4 12295 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)Br 34a_100011217163_100000212080 [0,2,0,0,0,0|1,0,0]=3 12296 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)Br 7a_100011217163_100000212080 [0,2,0,0,0,0|1,0,0]=3 12297 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)C 34a_100011217163_100000739480 [0,2,0,0,0,0|1,0,0]=3 12298 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)C 7a_100011217163_100000739480 [0,2,0,0,0,0|1,0,0]=3 12299 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)Cl 34a_100011217163_100000211444 [0,2,0,0,0,0|1,0,0]=3 12300 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)Cl 7a_100011217163_100000211444 [0,2,0,0,0,0|1,0,0]=3 12301 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)F 34a_100011217163_100000215616 [0,2,0,0,0,0|1,0,0]=3 12302 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)O 34a_100011217163_100009813753 [0,2,0,0,0,0|1,0,0]=3 12303 B17R1.40 CSCCCCOCC(=O)c1cccc(c1)O 7a_100011217163_100009813753 [0,2,0,0,0,0|1,0,0]=3 12304 B17R1.40 CSCCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000212216 [0,2,0,0,0,0|2,0,0]=4 12305 B17R1.40 CSCCOCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000212216 [0,2,0,0,0,0|2,0,0]=4 12306 B17R1.40 CSCNCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_100011218213 [0,2,0,0,0,0|2,0,0]=4 12307 B17R1.40 C[C@@H](OCCCCCCF)c1cccc(c1)Cl 34a_100000747380_100015922095 [0,2,0,0,0,0|1,0,1]=4 12308 B17R1.40 C[C@@H](OCCCCCCF)c1cccc(c1)Cl 7a_100000747380_100015922095 [0,2,0,0,0,0|1,0,1]=4 12309 B17R1.40 C[C@@H](OCCCCCCO)c1cccc(c1)Cl 34a_100000747380_100000766143 [0,2,0,0,0,0|1,0,1]=4 12310 B17R1.40 C[C@@H](OCCCCCCO)c1cccc(c1)Cl 7a_100000747380_100000766143 [0,2,0,0,0,0|1,0,1]=4 12311 B17R1.40 Cc1cccc(c1)C(=O)CCCCCCC#N 1458a_100000189346_100009813337 [0,2,0,0,0,0|1,0,1]=4 12312 B17R1.40 Cc1cccc(c1)C(=O)CCCCCCCO 1458a_100000189346_100000760002 [0,2,0,0,0,0|1,0,0]=3 12313 B17R1.40 Cc1cccc(c1)C(=O)CNCCCCCO 2230a_100000762737_100000739480 [0,2,0,0,0,0|2,0,0]=4 12314 B17R1.40 Cc1cccc(c1)C(=O)CNCCCCCO 34a_100000762737_100000739480 [0,2,0,0,0,0|2,0,0]=4 12315 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCBr 34a_100000746331_100000739480 [0,2,0,0,0,0|1,0,0]=3 12316 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCBr 7a_100000746331_100000739480 [0,2,0,0,0,0|1,0,0]=3 12317 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCCl 34a_100000746330_100000739480 [0,2,0,0,0,0|1,0,0]=3 12318 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCCl 7a_100000746330_100000739480 [0,2,0,0,0,0|1,0,0]=3 12319 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCI 34a_200012148887_100000739480 [0,2,0,0,0,0|1,0,0]=3 12320 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCI 7a_200012148887_100000739480 [0,2,0,0,0,0|1,0,0]=3 12321 B17R1.40 Cc1cccc(c1)C(=O)COCCCCCN 34a_100000762737_100000739480 [0,2,0,0,0,0|1,0,0]=3 12322 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCBr 34a_100000692535_100000739480 [0,2,0,0,0,0|2,0,0]=4 12323 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCBr 7a_100000692535_100000739480 [0,2,0,0,0,0|2,0,0]=4 12324 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCCl 34a_100011215305_100000739480 [0,2,0,0,0,0|2,0,0]=4 12325 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCCl 7a_100011215305_100000739480 [0,2,0,0,0,0|2,0,0]=4 12326 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCF 34a_200015357709_100000739480 [0,2,0,0,0,0|2,0,0]=4 12327 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCF 7a_200015357709_100000739480 [0,2,0,0,0,0|2,0,0]=4 12328 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCI 34a_100012149058_100000739480 [0,2,0,0,0,0|2,0,0]=4 12329 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCI 7a_100012149058_100000739480 [0,2,0,0,0,0|2,0,0]=4 12330 B17R1.40 Cc1cccc(c1)C(=O)COCCOCCN 34a_100000211614_100000739480 [0,2,0,0,0,0|2,0,0]=4 12331 B17R1.40 Cc1cccc(c1)C(=O)CSCCCCCF 62a_100000729378_100000739480 [0,2,0,0,0,0|1,1,0]=4 12332 B17R1.40 Cc1cccc(c1)C(=O)CSCCCCCF 62a_100000739480_100000729378 [0,2,0,0,0,0|1,1,0]=4 12333 B17R1.40 Cc1cccc(c1)C(=O)CSCCCCCO 62a_100000739480_100000746330 [0,2,0,0,0,0|1,1,0]=4 12334 B17R1.40 Cc1cccc(c1)C(=O)CSCCCCCO 62a_100000746330_100000739480 [0,2,0,0,0,0|1,1,0]=4 12335 B17R1.40 Cc1cccc(c1)C(=O)NCCCCCC#N 11a_100000061152_100000189346 [0,2,0,0,0,0|1,0,1]=4 12336 B17R1.40 Cc1cccc(c1)C(=O)NCCCCCC#N 1626a_100000061152_100000189346 [0,2,0,0,0,0|1,0,1]=4 12337 B17R1.40 Cc1cccc(c1)C(=O)NCCCCCC#N 240690a_100000061152_100000189346 [0,2,0,0,0,0|1,0,1]=4 12338 B17R1.40 Cc1cccc(c1)C(=O)NCCCCCC#N 527a_100000061152_100000189346 [0,2,0,0,0,0|1,0,1]=4 12339 B17R1.40 Cc1cccc(c1)C(=O)NCCCCCCO 240690a_100000686447_100000189346 [0,2,0,0,0,0|1,0,0]=3 12340 B17R1.40 Cc1cccc(c1)C(=O)NCCCCCCO 527a_100000686447_100000189346 [0,2,0,0,0,0|1,0,0]=3 12341 B17R1.40 Cc1cccc(c1)C(C)OCCCCCCF 34a_100000757818_100015922095 [0,2,0,0,0,0|1,0,1]=4 12342 B17R1.40 Cc1cccc(c1)C(C)OCCCCCCF 7a_100000757818_100015922095 [0,2,0,0,0,0|1,0,1]=4 12343 B17R1.40 Cc1cccc(c1)C(C)OCCCCCCO 34a_100000757818_100000766143 [0,2,0,0,0,0|1,0,1]=4 12344 B17R1.40 Cc1cccc(c1)C(C)OCCCCCCO 7a_100000757818_100000766143 [0,2,0,0,0,0|1,0,1]=4 12345 B17R1.40 N#CCCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100009813337 [0,2,0,0,0,0|1,0,1]=4 12346 B17R1.40 N#CCCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100009813337 [0,2,0,0,0,0|1,0,1]=4 12347 B17R1.40 N#CCCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100009813337 [0,2,0,0,0,0|1,0,1]=4 12348 B17R1.40 N#CCCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100009813337 [0,2,0,0,0,0|1,0,1]=4 12349 B17R1.40 N#CCCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100009813337 [0,2,0,0,0,0|1,0,1]=4 12350 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Br 11a_100000061152_100000210664 [0,2,0,0,0,0|1,0,1]=4 12351 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Br 1626a_100000061152_100000210664 [0,2,0,0,0,0|1,0,1]=4 12352 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Br 240690a_100000061152_100000210664 [0,2,0,0,0,0|1,0,1]=4 12353 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Br 527a_100000061152_100000210664 [0,2,0,0,0,0|1,0,1]=4 12354 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Cl 11a_100000061152_100000210390 [0,2,0,0,0,0|1,0,1]=4 12355 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Cl 1626a_100000061152_100000210390 [0,2,0,0,0,0|1,0,1]=4 12356 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Cl 240690a_100000061152_100000210390 [0,2,0,0,0,0|1,0,1]=4 12357 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)Cl 527a_100000061152_100000210390 [0,2,0,0,0,0|1,0,1]=4 12358 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)F 11a_100000061152_100000210950 [0,2,0,0,0,0|1,0,1]=4 12359 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)F 1626a_100000061152_100000210950 [0,2,0,0,0,0|1,0,1]=4 12360 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)F 240690a_100000061152_100000210950 [0,2,0,0,0,0|1,0,1]=4 12361 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)F 527a_100000061152_100000210950 [0,2,0,0,0,0|1,0,1]=4 12362 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)I 11a_100000061152_100000184098 [0,2,0,0,0,0|1,0,1]=4 12363 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)I 1626a_100000061152_100000184098 [0,2,0,0,0,0|1,0,1]=4 12364 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)I 240690a_100000061152_100000184098 [0,2,0,0,0,0|1,0,1]=4 12365 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)I 527a_100000061152_100000184098 [0,2,0,0,0,0|1,0,1]=4 12366 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)O 240690a_100000061152_100000183914 [0,2,0,0,0,0|1,0,1]=4 12367 B17R1.40 N#CCCCCCNC(=O)c1cccc(c1)O 527a_100000061152_100000183914 [0,2,0,0,0,0|1,0,1]=4 12368 B17R1.40 N#CCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000211819 [0,2,0,0,0,0|1,0,1]=4 12369 B17R1.40 N#CCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000211819 [0,2,0,0,0,0|1,0,1]=4 12370 B17R1.40 NCCCCCOCC(=O)c1cccc(c1)Br 34a_100000762737_100000212080 [0,2,0,0,0,0|1,0,0]=3 12371 B17R1.40 NCCCCCOCC(=O)c1cccc(c1)Cl 34a_100000762737_100000211444 [0,2,0,0,0,0|1,0,0]=3 12372 B17R1.40 NCCCCCOCC(=O)c1cccc(c1)F 34a_100000762737_100000215616 [0,2,0,0,0,0|1,0,0]=3 12373 B17R1.40 NCCCCCOCC(=O)c1cccc(c1)O 34a_100000762737_100009813753 [0,2,0,0,0,0|1,0,0]=3 12374 B17R1.40 NCCOCCOCC(=O)c1cccc(c1)Br 34a_100000211614_100000212080 [0,2,0,0,0,0|2,0,0]=4 12375 B17R1.40 NCCOCCOCC(=O)c1cccc(c1)Cl 34a_100000211614_100000211444 [0,2,0,0,0,0|2,0,0]=4 12376 B17R1.40 NCCOCCOCC(=O)c1cccc(c1)F 34a_100000211614_100000215616 [0,2,0,0,0,0|2,0,0]=4 12377 B17R1.40 NCCOCCOCC(=O)c1cccc(c1)O 34a_100000211614_100009813753 [0,2,0,0,0,0|2,0,0]=4 12378 B17R1.40 O=C(CCCCCCCO)c1cccc(c1)Br 1458a_100000210664_100000760002 [0,2,0,0,0,0|1,0,0]=3 12379 B17R1.40 O=C(CCCCCCCO)c1cccc(c1)Cl 1458a_100000210390_100000760002 [0,2,0,0,0,0|1,0,0]=3 12380 B17R1.40 O=C(CCCCCCCO)c1cccc(c1)F 1458a_100000210950_100000760002 [0,2,0,0,0,0|1,0,0]=3 12381 B17R1.40 O=C(CCCCCCCO)c1cccc(c1)I 1458a_100000184098_100000760002 [0,2,0,0,0,0|1,0,0]=3 12382 B17R1.40 O=C(CCCCCCCO)c1cccc(c1)O 1458a_100000183914_100000760002 [0,2,0,0,0,0|1,0,0]=3 12383 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)Br 2230a_100000762737_100000212080 [0,2,0,0,0,0|2,0,0]=4 12384 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)Br 34a_100000762737_100000212080 [0,2,0,0,0,0|2,0,0]=4 12385 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)Cl 2230a_100000762737_100000211444 [0,2,0,0,0,0|2,0,0]=4 12386 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)Cl 34a_100000762737_100000211444 [0,2,0,0,0,0|2,0,0]=4 12387 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)F 2230a_100000762737_100000215616 [0,2,0,0,0,0|2,0,0]=4 12388 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)F 34a_100000762737_100000215616 [0,2,0,0,0,0|2,0,0]=4 12389 B17R1.40 O=C(CNCCCCCO)c1cccc(c1)O 34a_100000762737_100009813753 [0,2,0,0,0,0|2,0,0]=4 12390 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)Br 34a_100000746331_100000212080 [0,2,0,0,0,0|1,0,0]=3 12391 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)Br 7a_100000746331_100000212080 [0,2,0,0,0,0|1,0,0]=3 12392 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)Cl 34a_100000746331_100000211444 [0,2,0,0,0,0|1,0,0]=3 12393 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)Cl 7a_100000746331_100000211444 [0,2,0,0,0,0|1,0,0]=3 12394 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)F 34a_100000746331_100000215616 [0,2,0,0,0,0|1,0,0]=3 12395 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)O 34a_100000746331_100009813753 [0,2,0,0,0,0|1,0,0]=3 12396 B17R1.40 O=C(COCCCCCBr)c1cccc(c1)O 7a_100000746331_100009813753 [0,2,0,0,0,0|1,0,0]=3 12397 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)Br 34a_100000746330_100000212080 [0,2,0,0,0,0|1,0,0]=3 12398 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)Br 7a_100000746330_100000212080 [0,2,0,0,0,0|1,0,0]=3 12399 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)Cl 34a_100000746330_100000211444 [0,2,0,0,0,0|1,0,0]=3 12400 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)Cl 7a_100000746330_100000211444 [0,2,0,0,0,0|1,0,0]=3 12401 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)F 34a_100000746330_100000215616 [0,2,0,0,0,0|1,0,0]=3 12402 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)O 34a_100000746330_100009813753 [0,2,0,0,0,0|1,0,0]=3 12403 B17R1.40 O=C(COCCCCCCl)c1cccc(c1)O 7a_100000746330_100009813753 [0,2,0,0,0,0|1,0,0]=3 12404 B17R1.40 O=C(COCCCCCF)c1cccc(c1)Cl 7a_200011592804_100000729378 [0,2,0,0,0,0|1,0,0]=3 12405 B17R1.40 O=C(COCCCCCF)c1cccc(c1)F 34a_100011592800_100000729378 [0,2,0,0,0,0|1,0,0]=3 12406 B17R1.40 O=C(COCCCCCF)c1cccc(c1)F 7a_100011592800_100000729378 [0,2,0,0,0,0|1,0,0]=3 12407 B17R1.40 O=C(COCCCCCI)c1cccc(c1)Br 34a_200012148887_100000212080 [0,2,0,0,0,0|1,0,0]=3 12408 B17R1.40 O=C(COCCCCCI)c1cccc(c1)Br 7a_200012148887_100000212080 [0,2,0,0,0,0|1,0,0]=3 12409 B17R1.40 O=C(COCCCCCI)c1cccc(c1)Cl 34a_200012148887_100000211444 [0,2,0,0,0,0|1,0,0]=3 12410 B17R1.40 O=C(COCCCCCI)c1cccc(c1)Cl 7a_200012148887_100000211444 [0,2,0,0,0,0|1,0,0]=3 12411 B17R1.40 O=C(COCCCCCI)c1cccc(c1)F 34a_200012148887_100000215616 [0,2,0,0,0,0|1,0,0]=3 12412 B17R1.40 O=C(COCCCCCI)c1cccc(c1)O 34a_200012148887_100009813753 [0,2,0,0,0,0|1,0,0]=3 12413 B17R1.40 O=C(COCCCCCI)c1cccc(c1)O 7a_200012148887_100009813753 [0,2,0,0,0,0|1,0,0]=3 12414 B17R1.40 O=C(COCCCCCO)c1cccc(c1)Cl 7a_200011592804_100000746330 [0,2,0,0,0,0|1,0,0]=3 12415 B17R1.40 O=C(COCCCCCO)c1cccc(c1)F 34a_100011592800_100000746330 [0,2,0,0,0,0|1,0,0]=3 12416 B17R1.40 O=C(COCCCCCO)c1cccc(c1)F 7a_100011592800_100000746330 [0,2,0,0,0,0|1,0,0]=3 12417 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)Br 34a_100000692535_100000212080 [0,2,0,0,0,0|2,0,0]=4 12418 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)Br 7a_100000692535_100000212080 [0,2,0,0,0,0|2,0,0]=4 12419 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)Cl 34a_100000692535_100000211444 [0,2,0,0,0,0|2,0,0]=4 12420 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)Cl 7a_100000692535_100000211444 [0,2,0,0,0,0|2,0,0]=4 12421 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)F 34a_100000692535_100000215616 [0,2,0,0,0,0|2,0,0]=4 12422 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)O 34a_100000692535_100009813753 [0,2,0,0,0,0|2,0,0]=4 12423 B17R1.40 O=C(COCCOCCBr)c1cccc(c1)O 7a_100000692535_100009813753 [0,2,0,0,0,0|2,0,0]=4 12424 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)Br 34a_100011215305_100000212080 [0,2,0,0,0,0|2,0,0]=4 12425 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)Br 7a_100011215305_100000212080 [0,2,0,0,0,0|2,0,0]=4 12426 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)Cl 34a_100011215305_100000211444 [0,2,0,0,0,0|2,0,0]=4 12427 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)Cl 7a_100011215305_100000211444 [0,2,0,0,0,0|2,0,0]=4 12428 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)F 34a_100011215305_100000215616 [0,2,0,0,0,0|2,0,0]=4 12429 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)O 34a_100011215305_100009813753 [0,2,0,0,0,0|2,0,0]=4 12430 B17R1.40 O=C(COCCOCCCl)c1cccc(c1)O 7a_100011215305_100009813753 [0,2,0,0,0,0|2,0,0]=4 12431 B17R1.40 O=C(COCCOCCF)c1cccc(c1)Br 34a_200015357709_100000212080 [0,2,0,0,0,0|2,0,0]=4 12432 B17R1.40 O=C(COCCOCCF)c1cccc(c1)Br 7a_200015357709_100000212080 [0,2,0,0,0,0|2,0,0]=4 12433 B17R1.40 O=C(COCCOCCF)c1cccc(c1)Cl 34a_200015357709_100000211444 [0,2,0,0,0,0|2,0,0]=4 12434 B17R1.40 O=C(COCCOCCF)c1cccc(c1)Cl 7a_200015357709_100000211444 [0,2,0,0,0,0|2,0,0]=4 12435 B17R1.40 O=C(COCCOCCF)c1cccc(c1)F 34a_200015357709_100000215616 [0,2,0,0,0,0|2,0,0]=4 12436 B17R1.40 O=C(COCCOCCF)c1cccc(c1)O 34a_200015357709_100009813753 [0,2,0,0,0,0|2,0,0]=4 12437 B17R1.40 O=C(COCCOCCF)c1cccc(c1)O 7a_200015357709_100009813753 [0,2,0,0,0,0|2,0,0]=4 12438 B17R1.40 O=C(COCCOCCI)c1cccc(c1)Br 34a_100012149058_100000212080 [0,2,0,0,0,0|2,0,0]=4 12439 B17R1.40 O=C(COCCOCCI)c1cccc(c1)Br 7a_100012149058_100000212080 [0,2,0,0,0,0|2,0,0]=4 12440 B17R1.40 O=C(COCCOCCI)c1cccc(c1)Cl 34a_100012149058_100000211444 [0,2,0,0,0,0|2,0,0]=4 12441 B17R1.40 O=C(COCCOCCI)c1cccc(c1)Cl 7a_100012149058_100000211444 [0,2,0,0,0,0|2,0,0]=4 12442 B17R1.40 O=C(COCCOCCI)c1cccc(c1)F 34a_100012149058_100000215616 [0,2,0,0,0,0|2,0,0]=4 12443 B17R1.40 O=C(COCCOCCI)c1cccc(c1)O 34a_100012149058_100009813753 [0,2,0,0,0,0|2,0,0]=4 12444 B17R1.40 O=C(COCCOCCI)c1cccc(c1)O 7a_100012149058_100009813753 [0,2,0,0,0,0|2,0,0]=4 12445 B17R1.40 O=C(COCCOCCO)c1cccc(c1)Cl 7a_200011592804_100011215305 [0,2,0,0,0,0|2,0,0]=4 12446 B17R1.40 O=C(COCCOCCO)c1cccc(c1)F 34a_100011592800_100000692535 [0,2,0,0,0,0|2,0,0]=4 12447 B17R1.40 O=C(COCCOCCO)c1cccc(c1)F 7a_100011592800_100011215305 [0,2,0,0,0,0|2,0,0]=4 12448 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)Br 62a_100000212080_100000729378 [0,2,0,0,0,0|1,1,0]=4 12449 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)Br 62a_100000729378_100000212080 [0,2,0,0,0,0|1,1,0]=4 12450 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)Cl 62a_100000211444_100000729378 [0,2,0,0,0,0|1,1,0]=4 12451 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)Cl 62a_100000729378_100000211444 [0,2,0,0,0,0|1,1,0]=4 12452 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)F 62a_100000215616_100000729378 [0,2,0,0,0,0|1,1,0]=4 12453 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)F 62a_100000729378_100000215616 [0,2,0,0,0,0|1,1,0]=4 12454 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)O 62a_100000729378_100009813753 [0,2,0,0,0,0|1,1,0]=4 12455 B17R1.40 O=C(CSCCCCCF)c1cccc(c1)O 62a_100009813753_100000729378 [0,2,0,0,0,0|1,1,0]=4 12456 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)Br 62a_100000212080_100000746330 [0,2,0,0,0,0|1,1,0]=4 12457 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)Br 62a_100000746330_100000212080 [0,2,0,0,0,0|1,1,0]=4 12458 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)Cl 62a_100000211444_100000746330 [0,2,0,0,0,0|1,1,0]=4 12459 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)Cl 62a_100000746330_100000211444 [0,2,0,0,0,0|1,1,0]=4 12460 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)F 62a_100000215616_100000746330 [0,2,0,0,0,0|1,1,0]=4 12461 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)F 62a_100000746330_100000215616 [0,2,0,0,0,0|1,1,0]=4 12462 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)O 62a_100000746330_100009813753 [0,2,0,0,0,0|1,1,0]=4 12463 B17R1.40 O=C(CSCCCCCO)c1cccc(c1)O 62a_100009813753_100000746330 [0,2,0,0,0,0|1,1,0]=4 12464 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)Br 240690a_100000686447_100000210664 [0,2,0,0,0,0|1,0,0]=3 12465 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)Br 527a_100000686447_100000210664 [0,2,0,0,0,0|1,0,0]=3 12466 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)Cl 240690a_100000686447_100000210390 [0,2,0,0,0,0|1,0,0]=3 12467 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)Cl 527a_100000686447_100000210390 [0,2,0,0,0,0|1,0,0]=3 12468 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)F 240690a_100000686447_100000210950 [0,2,0,0,0,0|1,0,0]=3 12469 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)F 527a_100000686447_100000210950 [0,2,0,0,0,0|1,0,0]=3 12470 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)I 240690a_100000686447_100000184098 [0,2,0,0,0,0|1,0,0]=3 12471 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)I 527a_100000686447_100000184098 [0,2,0,0,0,0|1,0,0]=3 12472 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)O 240690a_100000686447_100000183914 [0,2,0,0,0,0|1,0,0]=3 12473 B17R1.40 O=C(NCCCCCCO)c1cccc(c1)O 527a_100000686447_100000183914 [0,2,0,0,0,0|1,0,0]=3 12474 B17R1.40 O=C(NCCCNCCF)c1cccc(c1)Br 2230a_100000748816_100011217306 [0,2,0,0,0,0|2,0,0]=4 12475 B17R1.40 O=C(NCCCNCCO)c1cccc(c1)Br 2230a_100000748816_100000211926 [0,2,0,0,0,0|2,0,0]=4 12476 B17R1.40 O=C(NCCOCCCF)c1cccc(c1)Br 34a_200000158903_100011934791 [0,2,0,0,0,0|2,0,0]=4 12477 B17R1.40 O=C(NCCOCCCF)c1cccc(c1)Br 7a_200000158903_100011934791 [0,2,0,0,0,0|2,0,0]=4 12478 B17R1.40 O=C(NCCOCCCO)c1cccc(c1)Br 34a_200000158903_100000230001 [0,2,0,0,0,0|2,0,0]=4 12479 B17R1.40 O=C(NCCOCCCO)c1cccc(c1)Br 7a_200000158903_100011215043 [0,2,0,0,0,0|2,0,0]=4 12480 B17R1.40 O=CCCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000139335 [0,2,0,0,0,0|1,0,1]=4 12481 B17R1.40 O=CCCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000139335 [0,2,0,0,0,0|1,0,1]=4 12482 B17R1.679 C=C(Br)CCOCCOC(=O)c1ccccc1 34a_100009813270_100009812718 [0,2,0,0,0,0|0,0,2]=4 12483 B17R1.679 C=C(C)CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000730704 [0,2,0,0,0,0|1,0,1]=4 12484 B17R1.679 C=C(C)CCOCCNC(=O)c1ccccc1 34a_200000158897_100000730704 [0,2,0,0,0,0|1,0,1]=4 12485 B17R1.679 C=C(C)CCOCCNC(=O)c1ccccc1 7a_200000158897_100000730704 [0,2,0,0,0,0|1,0,1]=4 12486 B17R1.679 C=C(C)CCOCCOC(=O)c1ccccc1 34a_100000764851_100009812718 [0,2,0,0,0,0|0,0,1]=3 12487 B17R1.679 C=C(C)CCOCCOC(=O)c1ccccc1 7a_100000025465_100000730704 [0,2,0,0,0,0|0,0,1]=3 12488 B17R1.679 C=C(C)CCSCCCC(=O)c1ccccc1 62a_100000211006_100000730704 [0,2,0,0,0,0|1,0,1]=4 12489 B17R1.679 C=C(C)CCSCCCC(=O)c1ccccc1 62a_100000730704_100000211006 [0,2,0,0,0,0|1,0,1]=4 12490 B17R1.679 C=C(C)CCSCCNC(=O)c1ccccc1 62a_100000730704_200011215302 [0,2,0,0,0,0|1,0,1]=4 12491 B17R1.679 C=C(C)CCSCCNC(=O)c1ccccc1 62a_200011215302_100000730704 [0,2,0,0,0,0|1,0,1]=4 12492 B17R1.679 C=C(C)CCSCCOC(=O)c1ccccc1 62a_100000730704_100009812718 [0,2,0,0,0,0|0,0,1]=3 12493 B17R1.679 C=C(C)CCSCCOC(=O)c1ccccc1 62a_100009812718_100000730704 [0,2,0,0,0,0|0,0,1]=3 12494 B17R1.679 C=C(C)COCCCOC(=O)c1ccccc1 34a_100000210245_200009892979 [0,2,0,0,0,0|0,0,1]=3 12495 B17R1.679 C=C(C)CSCCCOC(=O)c1ccccc1 62a_100000748629_200009892979 [0,2,0,0,0,0|0,0,1]=3 12496 B17R1.679 C=C(C)CSCCCOC(=O)c1ccccc1 62a_200009892979_100000211660 [0,2,0,0,0,0|0,0,1]=3 12497 B17R1.679 C=C(F)COCCCOC(=O)c1ccccc1 34a_200010262243_200009892979 [0,2,0,0,0,0|0,0,2]=4 12498 B17R1.679 C=C(F)CSCCCOC(=O)c1ccccc1 62a_100000042424_200009892979 [0,2,0,0,0,0|0,0,2]=4 12499 B17R1.679 C=C(F)CSCCCOC(=O)c1ccccc1 62a_200009892979_100000042424 [0,2,0,0,0,0|0,0,2]=4 12500 B17R1.679 CC(=CCCSCOC(=O)c1ccccc1)C 62a_100000073877_100011217483 [0,2,0,0,0,0|0,0,2]=4 12501 B17R1.679 CC(=CCCSCOC(=O)c1ccccc1)C 62a_100011217483_100000073877 [0,2,0,0,0,0|0,0,2]=4 12502 B17R1.679 CC(=CCNCCOC(=O)c1ccccc1)C 34a_100000718196_100009812718 [0,2,0,0,0,0|0,0,2]=4 12503 B17R1.679 CC(=CCOCCOC(=O)c1ccccc1)C 34a_100000753907_100009812718 [0,2,0,0,0,0|0,0,2]=4 12504 B17R1.679 CC(=CCOCCOC(=O)c1ccccc1)C 7a_100000025465_100000761012 [0,2,0,0,0,0|0,0,2]=4 12505 B17R1.679 CC(=CCSCCOC(=O)c1ccccc1)C 62a_100000761012_100009812718 [0,2,0,0,0,0|0,0,2]=4 12506 B17R1.679 CC(=CCSCCOC(=O)c1ccccc1)C 62a_100009812718_100000761012 [0,2,0,0,0,0|0,0,2]=4 12507 B17R1.679 CC(=O)CCCCSCC(=O)c1ccccc1 62a_100000211460_100000735457 [0,2,0,0,0,0|0,1,1]=4 12508 B17R1.679 CC(=O)CCCCSCC(=O)c1ccccc1 62a_100000735457_100000211460 [0,2,0,0,0,0|0,1,1]=4 12509 B17R1.679 CC(=O)CCCOCCC(=O)c1ccccc1 7a_100000759063_100000750707 [0,2,0,0,0,0|1,0,1]=4 12510 B17R1.679 CC(=O)CCCOCOC(=O)c1ccccc1 7a_100000759063_100000073877 [0,2,0,0,0,0|0,0,1]=3 12511 B17R1.679 CC(=O)CCCSCCC(=O)c1ccccc1 62a_100000750707_100011215641 [0,2,0,0,0,0|1,0,1]=4 12512 B17R1.679 CC(=O)CCCSCCC(=O)c1ccccc1 62a_100011215641_100000750707 [0,2,0,0,0,0|1,0,1]=4 12513 B17R1.679 CC(=O)CCCSCOC(=O)c1ccccc1 62a_100000073877_100011215641 [0,2,0,0,0,0|0,0,1]=3 12514 B17R1.679 CC(=O)CCCSCOC(=O)c1ccccc1 62a_100011215641_100000073877 [0,2,0,0,0,0|0,0,1]=3 12515 B17R1.679 CC(=O)CCOCCCC(=O)c1ccccc1 7a_100000759926_100000211006 [0,2,0,0,0,0|1,0,1]=4 12516 B17R1.679 CC(=O)CCOCCNC(=O)c1ccccc1 7a_100000759926_200011215302 [0,2,0,0,0,0|1,0,1]=4 12517 B17R1.679 CC(=O)CCOCCNC(=O)c1ccccc1 7a_200000158897_100000053229 [0,2,0,0,0,0|1,0,1]=4 12518 B17R1.679 CC(=O)CCOCCOC(=O)c1ccccc1 34a_100000759926_100009812718 [0,2,0,0,0,0|0,0,1]=3 12519 B17R1.679 CC(=O)CCOCCOC(=O)c1ccccc1 7a_100000025465_100000053229 [0,2,0,0,0,0|0,0,1]=3 12520 B17R1.679 CC(=O)CCOCCOC(=O)c1ccccc1 7a_100000759926_100000184176 [0,2,0,0,0,0|0,0,1]=3 12521 B17R1.679 CC(=O)CCSCCCC(=O)c1ccccc1 62a_100000053229_100000211006 [0,2,0,0,0,0|1,0,1]=4 12522 B17R1.679 CC(=O)CCSCCCC(=O)c1ccccc1 62a_100000211006_100000053229 [0,2,0,0,0,0|1,0,1]=4 12523 B17R1.679 CC(=O)CCSCCNC(=O)c1ccccc1 62a_100000053229_200011215302 [0,2,0,0,0,0|1,0,1]=4 12524 B17R1.679 CC(=O)CCSCCNC(=O)c1ccccc1 62a_200011215302_100000053229 [0,2,0,0,0,0|1,0,1]=4 12525 B17R1.679 CC(=O)CCSCCOC(=O)c1ccccc1 62a_100000053229_100009812718 [0,2,0,0,0,0|0,0,1]=3 12526 B17R1.679 CC(=O)CCSCCOC(=O)c1ccccc1 62a_100009812718_100000053229 [0,2,0,0,0,0|0,0,1]=3 12527 B17R1.679 CC(=O)COCCCOC(=O)c1ccccc1 34a_100000211253_200009892979 [0,2,0,0,0,0|0,0,1]=3 12528 B17R1.679 CC(=O)NCCCCNC(=O)c1ccccc1 11a_200011368371_100000185807 [0,2,0,0,0,0|1,0,1]=4 12529 B17R1.679 CC(=O)NCCCCNC(=O)c1ccccc1 1626a_200011368371_100000185807 [0,2,0,0,0,0|1,0,1]=4 12530 B17R1.679 CC(=O)NCCCCNC(=O)c1ccccc1 240690a_200011368371_100000185807 [0,2,0,0,0,0|1,0,1]=4 12531 B17R1.679 CC(=O)NCCCCNC(=O)c1ccccc1 527a_200011368371_100000185807 [0,2,0,0,0,0|1,0,1]=4 12532 B17R1.679 CC(=O)NCCSCOC(=O)c1ccccc1 62a_100000073877_100000189650 [0,2,0,0,0,0|1,0,1]=4 12533 B17R1.679 CC(=O)NCCSCOC(=O)c1ccccc1 62a_100000189650_100000073877 [0,2,0,0,0,0|1,0,1]=4 12534 B17R1.679 CC(=O)OCCCCCC(=O)c1ccccc1 1458a_100000185807_100000033007 [0,2,0,0,0,0|1,0,1]=4 12535 B17R1.679 CC(=O)OCCSCOC(=O)c1ccccc1 62a_100000073877_100009814007 [0,2,0,0,0,0|1,0,1]=4 12536 B17R1.679 CC(=O)OCCSCOC(=O)c1ccccc1 62a_100009814007_100000073877 [0,2,0,0,0,0|1,0,1]=4 12537 B17R1.679 CC(=O)OCSCCOC(=O)c1ccccc1 62a_100000076356_100009812718 [0,2,0,0,0,0|1,0,1]=4 12538 B17R1.679 CC(=O)OCSCCOC(=O)c1ccccc1 62a_100009812718_100000076356 [0,2,0,0,0,0|1,0,1]=4 12539 B17R1.679 CC(Br)CCOCCOC(=O)c1ccccc1 34a_100009893172_100009812718 [0,2,0,0,0,0|0,0,0]=2 12540 B17R1.679 CC(Br)COCCCOC(=O)c1ccccc1 34a_100012180447_200009892979 [0,2,0,0,0,0|0,0,0]=2 12541 B17R1.679 CC(C)CCCCCNC(=O)c1ccccc1 1626a_100011290863_100000185807 [0,2,0,0,0,0|1,0,0]=3 12542 B17R1.679 CC(C)CCCCCNC(=O)c1ccccc1 240690a_100011290863_100000185807 [0,2,0,0,0,0|1,0,0]=3 12543 B17R1.679 CC(C)CCCCCNC(=O)c1ccccc1 527a_100011290863_100000185807 [0,2,0,0,0,0|1,0,0]=3 12544 B17R1.679 CC(C)CCCCCOC(C)c1ccccc1 34a_100011995859_100000211855 [0,2,0,0,0,0|1,0,1]=4 12545 B17R1.679 CC(C)CCCCCOC(C)c1ccccc1 7a_100011995859_100000230085 [0,2,0,0,0,0|1,0,1]=4 12546 B17R1.679 CC(C)CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210682 [0,2,0,0,0,0|1,0,1]=4 12547 B17R1.679 CC(C)CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210682 [0,2,0,0,0,0|1,0,1]=4 12548 B17R1.679 CC(C)CCCCOCC(=O)c1ccccc1 7a_100011214890_100000211460 [0,2,0,0,0,0|0,0,0]=2 12549 B17R1.679 CC(C)CCCCOCC(=O)c1ccccn1 34a_100011214890_100000027445 [0,2,0,0,0,0|1,0,0]=3 12550 B17R1.679 CC(C)CCCCOCC(=O)c1ccccn1 7a_100011214890_100000027445 [0,2,0,0,0,0|1,0,0]=3 12551 B17R1.679 CC(C)CCCCOCC(=O)c1ccncc1 7a_100011214890_100015248511 [0,2,0,0,0,0|1,0,0]=3 12552 B17R1.679 CC(C)CCCCOCC(C)c1ccccc1 34a_100011214890_100000756946 [0,2,0,0,0,0|1,0,1]=4 12553 B17R1.679 CC(C)CCCCOCC(C)c1ccccc1 34a_100011215166_100011216152 [0,2,0,0,0,0|1,0,1]=4 12554 B17R1.679 CC(C)CCCCOCC(C)c1ccccc1 7a_100011214890_100000756946 [0,2,0,0,0,0|1,0,1]=4 12555 B17R1.679 CC(C)CCCCOCC(C)c1ccccc1 7a_100011215166_100011216152 [0,2,0,0,0,0|1,0,1]=4 12556 B17R1.679 CC(C)CCCCOCC(O)c1ccccc1 34a_100011214890_100000185958 [0,2,0,0,0,0|0,0,2]=4 12557 B17R1.679 CC(C)CCCCOCC(O)c1ccccc1 7a_100011214890_100000185958 [0,2,0,0,0,0|0,0,2]=4 12558 B17R1.679 CC(C)CCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100011216152 [0,2,0,0,0,0|1,0,1]=4 12559 B17R1.679 CC(C)CCCCOC[C@@H](O)c1ccccc1 34a_100011214890_100011933945 [0,2,0,0,0,0|0,0,2]=4 12560 B17R1.679 CC(C)CCCCOC[C@@H](O)c1ccccc1 7a_100011214890_100011933945 [0,2,0,0,0,0|0,0,2]=4 12561 B17R1.679 CC(C)CCCCSCC(=O)c1ccccc1 62a_100000211460_100011216152 [0,2,0,0,0,0|0,1,0]=3 12562 B17R1.679 CC(C)CCCCSCC(=O)c1ccccc1 62a_100011216152_100000211460 [0,2,0,0,0,0|0,1,0]=3 12563 B17R1.679 CC(C)CCCCSCC(=O)c1ccccn1 62a_100000027445_100011216152 [0,2,0,0,0,0|1,1,0]=4 12564 B17R1.679 CC(C)CCCCSCC(=O)c1ccccn1 62a_100011216152_100000027445 [0,2,0,0,0,0|1,1,0]=4 12565 B17R1.679 CC(C)CCCCSCC(=O)c1cccnc1 62a_100000757877_100011216152 [0,2,0,0,0,0|1,1,0]=4 12566 B17R1.679 CC(C)CCCCSCC(=O)c1cccnc1 62a_100011216152_100000757877 [0,2,0,0,0,0|1,1,0]=4 12567 B17R1.679 CC(C)CCCCSCC(=O)c1ccncc1 62a_100000027454_100011216152 [0,2,0,0,0,0|1,1,0]=4 12568 B17R1.679 CC(C)CCCCSCC(=O)c1ccncc1 62a_100011216152_100000027454 [0,2,0,0,0,0|1,1,0]=4 12569 B17R1.679 CC(C)CCCCSCS(=O)c1ccccc1 62a_100011216152_100000031784 [0,2,0,0,0,0|1,1,0]=4 12570 B17R1.679 CC(C)CCCNCCC(=O)c1ccccc1 2230a_200000737386_100000750707 [0,2,0,0,0,0|1,0,0]=3 12571 B17R1.679 CC(C)CCCNCCS(=O)c1ccccc1 2230a_200000737386_100000740319 [0,2,0,0,0,0|2,0,0]=4 12572 B17R1.679 CC(C)CCCOCCC(=O)c1ccccc1 7a_100000210774_100000750707 [0,2,0,0,0,0|1,0,0]=3 12573 B17R1.679 CC(C)CCCOCCS(=O)c1ccccc1 7a_100000210774_100000740319 [0,2,0,0,0,0|2,0,0]=4 12574 B17R1.679 CC(C)CCCOCOC(=O)c1ccccc1 7a_100000210774_100000073877 [0,2,0,0,0,0|0,0,0]=2 12575 B17R1.679 CC(C)CCCSCCC(=O)c1ccccc1 62a_100000750707_100011214892 [0,2,0,0,0,0|1,0,0]=3 12576 B17R1.679 CC(C)CCCSCCC(=O)c1ccccc1 62a_100011214892_100000750707 [0,2,0,0,0,0|1,0,0]=3 12577 B17R1.679 CC(C)CCCSCCS(=O)c1ccccc1 62a_100011214892_100000740319 [0,2,0,0,0,0|2,0,0]=4 12578 B17R1.679 CC(C)CCCSCOC(=O)c1ccccc1 62a_100000073877_100011214892 [0,2,0,0,0,0|0,0,0]=2 12579 B17R1.679 CC(C)CCCSCOC(=O)c1ccccc1 62a_100011214892_100000073877 [0,2,0,0,0,0|0,0,0]=2 12580 B17R1.679 CC(C)CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210312 [0,2,0,0,0,0|1,0,0]=3 12581 B17R1.679 CC(C)CCNCCNC(=O)c1ccccc1 269862a_100000736134_100000185833 [0,2,0,0,0,0|1,0,0]=3 12582 B17R1.679 CC(C)CCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210312 [0,2,0,0,0,0|2,0,0]=4 12583 B17R1.679 CC(C)CCNCCNC(=O)c1ccncc1 269862a_200011198449_100000185833 [0,2,0,0,0,0|2,0,0]=4 12584 B17R1.679 CC(C)CCOCCCC(=O)c1ccccc1 7a_100000210254_100000211006 [0,2,0,0,0,0|1,0,0]=3 12585 B17R1.679 CC(C)CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210312 [0,2,0,0,0,0|1,0,0]=3 12586 B17R1.679 CC(C)CCOCCNC(=O)c1ccccc1 7a_100000210254_200011215302 [0,2,0,0,0,0|1,0,0]=3 12587 B17R1.679 CC(C)CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210626 [0,2,0,0,0,0|1,0,0]=3 12588 B17R1.679 CC(C)CCOCCOC(=O)c1ccccc1 34a_100000210254_100009812718 [0,2,0,0,0,0|0,0,0]=2 12589 B17R1.679 CC(C)CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210626 [0,2,0,0,0,0|0,0,0]=2 12590 B17R1.679 CC(C)CCOCCOC(=O)c1ccccc1 7a_100000210254_100000184176 [0,2,0,0,0,0|0,0,0]=2 12591 B17R1.679 CC(C)CCSCCCC(=O)c1ccccc1 62a_100000210312_100000211006 [0,2,0,0,0,0|1,0,0]=3 12592 B17R1.679 CC(C)CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210312 [0,2,0,0,0,0|1,0,0]=3 12593 B17R1.679 CC(C)CCSCCNC(=O)c1ccccc1 62a_100000210312_200011215302 [0,2,0,0,0,0|1,0,0]=3 12594 B17R1.679 CC(C)CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210312 [0,2,0,0,0,0|1,0,0]=3 12595 B17R1.679 CC(C)CCSCCOC(=O)c1ccccc1 62a_100000210312_100009812718 [0,2,0,0,0,0|0,0,0]=2 12596 B17R1.679 CC(C)CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210312 [0,2,0,0,0,0|0,0,0]=2 12597 B17R1.679 CC(C)CNCCCOC(=O)c1ccccc1 34a_100000210953_200009892979 [0,2,0,0,0,0|0,0,0]=2 12598 B17R1.679 CC(C)CNCCCOC(C)c1ccccc1 2230a_100000206020_100000210760 [0,2,0,0,0,0|1,0,1]=4 12599 B17R1.679 CC(C)CNCCCOC(C)c1ccccc1 270004a_100000206020_100000210432 [0,2,0,0,0,0|1,0,1]=4 12600 B17R1.679 CC(C)CNCCCOC(C)c1ccccc1 34a_100000206020_100000210624 [0,2,0,0,0,0|1,0,1]=4 12601 B17R1.679 CC(C)CNCCOCC(=O)c1ccccn1 34a_100015185251_100000027445 [0,2,0,0,0,0|2,0,0]=4 12602 B17R1.679 CC(C)COCCCNC(=O)c1ccccc1 11a_100000205972_100000185807 [0,2,0,0,0,0|1,0,0]=3 12603 B17R1.679 CC(C)COCCCNC(=O)c1ccccc1 1626a_100000205972_100000185807 [0,2,0,0,0,0|1,0,0]=3 12604 B17R1.679 CC(C)COCCCNC(=O)c1ccccc1 240690a_100000205972_100000185807 [0,2,0,0,0,0|1,0,0]=3 12605 B17R1.679 CC(C)COCCCNC(=O)c1ccccc1 527a_100000205972_100000185807 [0,2,0,0,0,0|1,0,0]=3 12606 B17R1.679 CC(C)COCCCOC(=O)c1ccccc1 34a_100000210257_200009892979 [0,2,0,0,0,0|0,0,0]=2 12607 B17R1.679 CC(C)COCCOCC(=O)c1ccccc1 7a_100000703358_100000211460 [0,2,0,0,0,0|1,0,0]=3 12608 B17R1.679 CC(C)COCCOCC(=O)c1ccccn1 34a_100000703358_100000027445 [0,2,0,0,0,0|2,0,0]=4 12609 B17R1.679 CC(C)COCCOCC(=O)c1ccccn1 7a_100000703358_100000027445 [0,2,0,0,0,0|2,0,0]=4 12610 B17R1.679 CC(C)COCCOCC(=O)c1ccncc1 7a_100000703358_100015248511 [0,2,0,0,0,0|2,0,0]=4 12611 B17R1.679 CC(C)CSCCCOC(=O)c1ccccc1 62a_100000210624_200009892979 [0,2,0,0,0,0|0,0,0]=2 12612 B17R1.679 CC(C)CSCCCOC(=O)c1ccccc1 62a_200009892979_100000210760 [0,2,0,0,0,0|0,0,0]=2 12613 B17R1.679 CC(C)CSCCOCC(=O)c1ccccc1 7a_200000230437_100000211460 [0,2,0,0,0,0|1,0,0]=3 12614 B17R1.679 CC(C)CSCCOCC(=O)c1ccccn1 34a_200000230437_100000027445 [0,2,0,0,0,0|2,0,0]=4 12615 B17R1.679 CC(C)CSCCOCC(=O)c1ccccn1 7a_200000230437_100000027445 [0,2,0,0,0,0|2,0,0]=4 12616 B17R1.679 CC(C)CSCCOCC(=O)c1ccncc1 7a_200000230437_100015248511 [0,2,0,0,0,0|2,0,0]=4 12617 B17R1.679 CC(C)NCCCCOC(=O)c1ccccc1 34a_100138425928_100000039408 [0,2,0,0,0,0|0,0,0]=2 12618 B17R1.679 CC(C)NCCCCOC(C)c1ccccc1 34a_100011521146_100000211855 [0,2,0,0,0,0|1,0,1]=4 12619 B17R1.679 CC(C)NCCCOCC(=O)c1ccccn1 34a_100000182298_100000027445 [0,2,0,0,0,0|2,0,0]=4 12620 B17R1.679 CC(C)OCCCCOC(=O)c1ccccc1 34a_100000212225_100000039408 [0,2,0,0,0,0|0,0,0]=2 12621 B17R1.679 CC(C)OCCNCCC(=O)c1ccccc1 2230a_100000701111_100000750707 [0,2,0,0,0,0|2,0,0]=4 12622 B17R1.679 CC(C)OCCOCCC(=O)c1ccccc1 7a_100000211219_100000750707 [0,2,0,0,0,0|2,0,0]=4 12623 B17R1.679 CC(C)OCCOCOC(=O)c1ccccc1 7a_100000211219_100000073877 [0,2,0,0,0,0|1,0,0]=3 12624 B17R1.679 CC(C)OCCSCCC(=O)c1ccccc1 62a_100000211751_100000750707 [0,2,0,0,0,0|2,0,0]=4 12625 B17R1.679 CC(C)OCCSCCC(=O)c1ccccc1 62a_100000750707_100000211751 [0,2,0,0,0,0|2,0,0]=4 12626 B17R1.679 CC(C)OCCSCOC(=O)c1ccccc1 62a_100000073877_100000211751 [0,2,0,0,0,0|1,0,0]=3 12627 B17R1.679 CC(C)OCCSCOC(=O)c1ccccc1 62a_100000211751_100000073877 [0,2,0,0,0,0|1,0,0]=3 12628 B17R1.679 CC(C)OCNCCNC(=O)c1ccccc1 2230a_100000736134_100000709892 [0,2,0,0,0,0|2,0,0]=4 12629 B17R1.679 CC(C)OCOCCNC(=O)c1ccccc1 34a_200000158897_100000709892 [0,2,0,0,0,0|2,0,0]=4 12630 B17R1.679 CC(C)OCSCCCC(=O)c1ccccc1 62a_100000211006_100000709892 [0,2,0,0,0,0|2,0,0]=4 12631 B17R1.679 CC(C)OCSCCCC(=O)c1ccccc1 62a_100000709892_100000211006 [0,2,0,0,0,0|2,0,0]=4 12632 B17R1.679 CC(C)OCSCCNC(=O)c1ccccc1 62a_100000709892_200011215302 [0,2,0,0,0,0|2,0,0]=4 12633 B17R1.679 CC(C)OCSCCNC(=O)c1ccccc1 62a_200011215302_100000709892 [0,2,0,0,0,0|2,0,0]=4 12634 B17R1.679 CC(C)OCSCCOC(=O)c1ccccc1 62a_100000709892_100009812718 [0,2,0,0,0,0|1,0,0]=3 12635 B17R1.679 CC(C)OCSCCOC(=O)c1ccccc1 62a_100009812718_100000709892 [0,2,0,0,0,0|1,0,0]=3 12636 B17R1.679 CC(C)SCCCCOC(=O)c1ccccc1 62a_100000039408_100000210206 [0,2,0,0,0,0|0,0,0]=2 12637 B17R1.679 CC(C)SCCCCOC(=O)c1ccccc1 62a_100000210206_100000039408 [0,2,0,0,0,0|0,0,0]=2 12638 B17R1.679 CC(C)SCCNCCC(=O)c1ccccc1 2230a_100000731138_100000750707 [0,2,0,0,0,0|2,0,0]=4 12639 B17R1.679 CC(C)SCCOCCC(=O)c1ccccc1 7a_200011212901_100000750707 [0,2,0,0,0,0|2,0,0]=4 12640 B17R1.679 CC(C)SCCOCOC(=O)c1ccccc1 7a_200011212901_100000073877 [0,2,0,0,0,0|1,0,0]=3 12641 B17R1.679 CC(C)SCCSCCC(=O)c1ccccc1 62a_100000730970_100000750707 [0,2,0,0,0,0|2,0,0]=4 12642 B17R1.679 CC(C)SCCSCCC(=O)c1ccccc1 62a_100000750707_100000730970 [0,2,0,0,0,0|2,0,0]=4 12643 B17R1.679 CC(C)SCCSCOC(=O)c1ccccc1 62a_100000073877_100000730970 [0,2,0,0,0,0|1,0,0]=3 12644 B17R1.679 CC(C)SCCSCOC(=O)c1ccccc1 62a_100000730970_100000073877 [0,2,0,0,0,0|1,0,0]=3 12645 B17R1.679 CC(F)COCCCOC(=O)c1ccccc1 34a_100015925927_200009892979 [0,2,0,0,0,0|0,0,0]=2 12646 B17R1.679 CC(O)CCCSCCC(=O)c1ccccc1 62a_100000750707_200000718107 [0,2,0,0,0,0|1,0,0]=3 12647 B17R1.679 CC(O)CCCSCCC(=O)c1ccccc1 62a_200000718107_100000750707 [0,2,0,0,0,0|1,0,0]=3 12648 B17R1.679 CC(O)CCCSCCS(=O)c1ccccc1 62a_200000718107_100000740319 [0,2,0,0,0,0|2,0,0]=4 12649 B17R1.679 CC(O)CCCSCOC(=O)c1ccccc1 62a_100000073877_200000718107 [0,2,0,0,0,0|0,0,0]=2 12650 B17R1.679 CC(O)CCCSCOC(=O)c1ccccc1 62a_200000718107_100000073877 [0,2,0,0,0,0|0,0,0]=2 12651 B17R1.679 CC(O)CCNCCCC(=O)c1ccccc1 2230a_200000755665_100000211006 [0,2,0,0,0,0|1,0,0]=3 12652 B17R1.679 CC(O)CCNCCNC(=O)c1ccccc1 2230a_100000736134_100012276601 [0,2,0,0,0,0|1,0,0]=3 12653 B17R1.679 CC(O)CCNCCNC(=O)c1ccncc1 2230a_200011198449_100012276601 [0,2,0,0,0,0|2,0,0]=4 12654 B17R1.679 CC(O)CCOCCNC(=O)c1ccccc1 34a_200000158897_100012276601 [0,2,0,0,0,0|1,0,0]=3 12655 B17R1.679 CC(O)CCOCCNC(=O)c1ccccc1 7a_200000158897_100012276601 [0,2,0,0,0,0|1,0,0]=3 12656 B17R1.679 CC(O)CCOCCOC(=O)c1ccccc1 7a_100000025465_100012276601 [0,2,0,0,0,0|0,0,0]=2 12657 B17R1.679 CC(O)CCSCCCC(=O)c1ccccc1 62a_100000211006_100012276601 [0,2,0,0,0,0|1,0,0]=3 12658 B17R1.679 CC(O)CCSCCCC(=O)c1ccccc1 62a_100012276601_100000211006 [0,2,0,0,0,0|1,0,0]=3 12659 B17R1.679 CC(O)CCSCCNC(=O)c1ccccc1 62a_100012276601_200011215302 [0,2,0,0,0,0|1,0,0]=3 12660 B17R1.679 CC(O)CCSCCNC(=O)c1ccccc1 62a_200011215302_100012276601 [0,2,0,0,0,0|1,0,0]=3 12661 B17R1.679 CC(O)CCSCCOC(=O)c1ccccc1 62a_100009812718_100012276601 [0,2,0,0,0,0|0,0,0]=2 12662 B17R1.679 CC(O)CCSCCOC(=O)c1ccccc1 62a_100012276601_100009812718 [0,2,0,0,0,0|0,0,0]=2 12663 B17R1.679 CC(O)CNCCCOC(=O)c1ccccc1 34a_100000210904_200009892979 [0,2,0,0,0,0|0,0,0]=2 12664 B17R1.679 CC(O)CNCCCOC(C)c1ccccc1 2230a_100000206020_100011218427 [0,2,0,0,0,0|1,0,1]=4 12665 B17R1.679 CC(O)CNCCCOC(C)c1ccccc1 34a_100000206020_100011218427 [0,2,0,0,0,0|1,0,1]=4 12666 B17R1.679 CC(O)CSCCCOC(=O)c1ccccc1 62a_100011218427_200009892979 [0,2,0,0,0,0|0,0,0]=2 12667 B17R1.679 CC(O)CSCCCOC(=O)c1ccccc1 62a_200009892979_100011218427 [0,2,0,0,0,0|0,0,0]=2 12668 B17R1.679 CC(OCCCNC[C@@H](C)O)c1ccccc1 2230a_100000206020_100009817552 [0,2,0,0,0,0|1,0,1]=4 12669 B17R1.679 CC(OCCCNC[C@@H](C)O)c1ccccc1 34a_100000206020_100009817552 [0,2,0,0,0,0|1,0,1]=4 12670 B17R1.679 CN(C)CCCCCNC(=O)c1ccccc1 240690a_100020635752_100000185807 [0,2,0,0,0,0|1,0,0]=3 12671 B17R1.679 CN(C)CCCCSCC(=O)c1ccccc1 62a_100000211460_100000690147 [0,2,0,0,0,0|1,1,0]=4 12672 B17R1.679 CN(C)CCCSCCC(=O)c1ccccc1 62a_100000750707_100000757444 [0,2,0,0,0,0|2,0,0]=4 12673 B17R1.679 CN(C)CCCSCOC(=O)c1ccccc1 62a_100000073877_100000757444 [0,2,0,0,0,0|1,0,0]=3 12674 B17R1.679 CN(C)CCOCCNC(=O)c1ccccc1 240690a_200153394208_100000185807 [0,2,0,0,0,0|2,0,0]=4 12675 B17R1.679 CN(C)CCOCCNC(=O)c1ccccc1 527a_200153394208_100000185807 [0,2,0,0,0,0|2,0,0]=4 12676 B17R1.679 CN(C)CCOCCNC(=O)c1ccccc1 7a_200000158897_100000755713 [0,2,0,0,0,0|2,0,0]=4 12677 B17R1.679 CN(C)CCOCCOC(=O)c1ccccc1 7a_100000025465_100000755713 [0,2,0,0,0,0|1,0,0]=3 12678 B17R1.679 CN(C)CCSCCCC(=O)c1ccccc1 62a_100000211006_100000755713 [0,2,0,0,0,0|2,0,0]=4 12679 B17R1.679 CN(C)CCSCCNC(=O)c1ccccc1 62a_200011215302_100000755713 [0,2,0,0,0,0|2,0,0]=4 12680 B17R1.679 CN(C)CCSCCOC(=O)c1ccccc1 62a_100009812718_100000755713 [0,2,0,0,0,0|1,0,0]=3 12681 B17R1.679 CS(=O)CCCNCCC(=O)c1ccccc1 2230a_200000753449_100000750707 [0,2,0,0,0,0|2,0,0]=4 12682 B17R1.679 C[C@@H](Cl)COCCCOC(=O)c1ccccc1 34a_100016084084_200009892979 [0,2,0,0,0,0|0,0,0]=2 12683 B17R1.679 C[C@@H](N)CCOCCOC(=O)c1ccccc1 34a_100000706166_100009812718 [0,2,0,0,0,0|0,0,0]=2 12684 B17R1.679 C[C@@H](N)COCCCOC(=O)c1ccccc1 34a_100000737577_200009892979 [0,2,0,0,0,0|0,0,0]=2 12685 B17R1.679 C[C@@H](O)CSCCCOC(=O)c1ccccc1 62a_100009817552_200009892979 [0,2,0,0,0,0|0,0,0]=2 12686 B17R1.679 C[C@@H](O)CSCCCOC(=O)c1ccccc1 62a_200009892979_100009817552 [0,2,0,0,0,0|0,0,0]=2 12687 B17R1.679 NC(=O)CCCCOCC(=O)c1ccccc1 7a_100012022536_100000211460 [0,2,0,0,0,0|1,0,1]=4 12688 B17R1.679 NC(=O)CCCSCOC(=O)c1ccccc1 62a_100000073877_100102525003 [0,2,0,0,0,0|1,0,1]=4 12689 B17R1.679 NC(=O)CCCSCOC(=O)c1ccccc1 62a_100102525003_100000073877 [0,2,0,0,0,0|1,0,1]=4 12690 B17R1.679 NC(=O)CCOCCOC(=O)c1ccccc1 34a_100000757172_100009812718 [0,2,0,0,0,0|1,0,1]=4 12691 B17R1.679 NC(=O)CCOCCOC(=O)c1ccccc1 7a_100000025465_100000744528 [0,2,0,0,0,0|1,0,1]=4 12692 B17R1.679 NC(=O)CCOCCOC(=O)c1ccccc1 7a_100000757172_100000184176 [0,2,0,0,0,0|1,0,1]=4 12693 B17R1.679 NC(=O)CCSCCOC(=O)c1ccccc1 62a_100000744528_100009812718 [0,2,0,0,0,0|1,0,1]=4 12694 B17R1.679 NC(=O)CCSCCOC(=O)c1ccccc1 62a_100009812718_100000744528 [0,2,0,0,0,0|1,0,1]=4 12695 B17R1.679 NC(=O)CSCCCOC(=O)c1ccccc1 62a_100000747473_200009892979 [0,2,0,0,0,0|1,0,1]=4 12696 B17R1.679 NC(=O)CSCCCOC(=O)c1ccccc1 62a_200009892979_100000747473 [0,2,0,0,0,0|1,0,1]=4 12697 B17R1.679 O=C(CCCCCCB(O)O)c1ccccc1 1458a_100000185807_100009817187 [0,2,0,0,0,0|2,0,0]=4 12698 B17R1.679 O=C(COCCCC[N+](=O)[O-])c1ccccc1 7a_200015379883_100000211460 [0,2,0,0,0,0|2,0,0]=4 12699 B17R1.679 O=C(COCCOCC(F)F)c1ccccc1 7a_100000704375_100000211460 [0,2,0,0,0,0|2,0,0]=4 12700 B17R1.679 O=C(O)CNCCCOC(=O)c1ccccc1 269956a_100016091260_200009892979 [0,2,0,0,0,0|1,0,1]=4 12701 B17R1.679 O=C(OCCCNCC(F)F)c1ccccc1 34a_100000765723_200009892979 [0,2,0,0,0,0|1,0,0]=3 12702 B17R1.679 O=C(OCCCOCC(F)F)c1ccccc1 34a_100000743014_200009892979 [0,2,0,0,0,0|1,0,0]=3 12703 B17R1.679 O=C(OCCCSCC(F)F)c1ccccc1 62a_100011934356_200009892979 [0,2,0,0,0,0|1,0,0]=3 12704 B17R1.679 O=C(OCCCSCC(F)F)c1ccccc1 62a_200009892979_100011934356 [0,2,0,0,0,0|1,0,0]=3 12705 B17R1.679 O=C(OCCCSC[N+](=O)[O-])c1ccccc1 62a_200009892979_100000761209 [0,2,0,0,0,0|2,0,0]=4 12706 B17R1.679 O=C(OCCOCCC(F)F)c1ccccc1 34a_100103093639_100009812718 [0,2,0,0,0,0|1,0,0]=3 12707 B17R1.679 O=C([O-])CSCCCOC(=O)c1ccccc1 62a_100020667443_200009892979 [0,2,0,0,0,0|1,0,1]=4 12708 B17R1.679 O=C([O-])CSCCCOC(=O)c1ccccc1 62a_200009892979_100020667443 [0,2,0,0,0,0|1,0,1]=4 12709 B17R1.754 C#CCCCCCCCC(=O)c1ccccc1 1458a_100000185807_100153394163 [0,2,0,0,0,0|1,0,0]=3 12710 B17R1.754 C#CCCCCCCOC(C)c1ccccc1 34a_100011217361_100000211855 [0,2,0,0,0,0|1,0,1]=4 12711 B17R1.754 C#CCCCCCCOC(C)c1ccccc1 7a_100011217361_100000230085 [0,2,0,0,0,0|1,0,1]=4 12712 B17R1.754 C#CCCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100012276617 [0,2,0,0,0,0|1,0,1]=4 12713 B17R1.754 C#CCCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100012276617 [0,2,0,0,0,0|1,0,1]=4 12714 B17R1.754 C#CCCCCCOCC(=O)c1ccccc1 7a_100000766912_100000211460 [0,2,0,0,0,0|0,0,1]=3 12715 B17R1.754 C#CCCCCCOCC(=O)c1ccccn1 34a_100000766912_100000027445 [0,2,0,0,0,0|1,0,1]=4 12716 B17R1.754 C#CCCCCCOCC(=O)c1ccccn1 7a_100000766912_100000027445 [0,2,0,0,0,0|1,0,1]=4 12717 B17R1.754 C#CCCCCCOCC(=O)c1ccncc1 7a_100000766912_100015248511 [0,2,0,0,0,0|1,0,1]=4 12718 B17R1.754 C#CCCCCCSCC(=O)c1ccccc1 62a_100000211460_100012094781 [0,2,0,0,0,0|0,1,1]=4 12719 B17R1.754 C#CCCCCCSCC(=O)c1ccccc1 62a_100012094781_100000211460 [0,2,0,0,0,0|0,1,1]=4 12720 B17R1.754 C#CCCCCNCCC(=O)c1ccccc1 2230a_100000706060_100000750707 [0,2,0,0,0,0|1,0,1]=4 12721 B17R1.754 C#CCCCCOCCC(=O)c1ccccc1 7a_100000766709_100000750707 [0,2,0,0,0,0|0,0,2]=4 12722 B17R1.754 C#CCCCCOCOC(=O)c1ccccc1 7a_100000766709_100000073877 [0,2,0,0,0,0|0,0,1]=3 12723 B17R1.754 C#CCCCCSCCC(=O)c1ccccc1 62a_100000750707_100010269958 [0,2,0,0,0,0|1,0,1]=4 12724 B17R1.754 C#CCCCCSCCC(=O)c1ccccc1 62a_100010269958_100000750707 [0,2,0,0,0,0|1,0,1]=4 12725 B17R1.754 C#CCCCCSCOC(=O)c1ccccc1 62a_100000073877_100010269958 [0,2,0,0,0,0|0,0,1]=3 12726 B17R1.754 C#CCCCCSCOC(=O)c1ccccc1 62a_100010269958_100000073877 [0,2,0,0,0,0|0,0,1]=3 12727 B17R1.754 C#CCCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000731252 [0,2,0,0,0,0|1,0,1]=4 12728 B17R1.754 C#CCCCNCCOC(=O)c1ccccc1 34a_100000718082_100009812718 [0,2,0,0,0,0|0,0,1]=3 12729 B17R1.754 C#CCCCOCCCC(=O)c1ccccc1 7a_100000215630_100000211006 [0,2,0,0,0,0|1,0,1]=4 12730 B17R1.754 C#CCCCOCCNC(=O)c1ccccc1 34a_200000158897_100000695029 [0,2,0,0,0,0|1,0,1]=4 12731 B17R1.754 C#CCCCOCCNC(=O)c1ccccc1 7a_100000215630_200011215302 [0,2,0,0,0,0|1,0,1]=4 12732 B17R1.754 C#CCCCOCCNC(=O)c1ccccc1 7a_200000158897_100011215417 [0,2,0,0,0,0|1,0,1]=4 12733 B17R1.754 C#CCCCOCCOC(=O)c1ccccc1 34a_100000215630_100009812718 [0,2,0,0,0,0|0,0,1]=3 12734 B17R1.754 C#CCCCOCCOC(=O)c1ccccc1 7a_100000025465_100011215417 [0,2,0,0,0,0|0,0,1]=3 12735 B17R1.754 C#CCCCOCCOC(=O)c1ccccc1 7a_100000215630_100000184176 [0,2,0,0,0,0|0,0,1]=3 12736 B17R1.754 C#CCCCSCCCC(=O)c1ccccc1 62a_100000211006_100011215417 [0,2,0,0,0,0|1,0,1]=4 12737 B17R1.754 C#CCCCSCCCC(=O)c1ccccc1 62a_100011215417_100000211006 [0,2,0,0,0,0|1,0,1]=4 12738 B17R1.754 C#CCCCSCCNC(=O)c1ccccc1 62a_100011215417_200011215302 [0,2,0,0,0,0|1,0,1]=4 12739 B17R1.754 C#CCCCSCCNC(=O)c1ccccc1 62a_200011215302_100011215417 [0,2,0,0,0,0|1,0,1]=4 12740 B17R1.754 C#CCCCSCCOC(=O)c1ccccc1 62a_100009812718_100011215417 [0,2,0,0,0,0|0,0,1]=3 12741 B17R1.754 C#CCCCSCCOC(=O)c1ccccc1 62a_100011215417_100009812718 [0,2,0,0,0,0|0,0,1]=3 12742 B17R1.754 C#CCCNCCCOC(=O)c1ccccc1 34a_100000755551_200009892979 [0,2,0,0,0,0|0,0,1]=3 12743 B17R1.754 C#CCCOCCCOC(=O)c1ccccc1 34a_100011215631_200009892979 [0,2,0,0,0,0|0,0,1]=3 12744 B17R1.754 C#CCCSCCCOC(=O)c1ccccc1 62a_100000688953_200009892979 [0,2,0,0,0,0|0,0,1]=3 12745 B17R1.754 C#CCCSCCCOC(=O)c1ccccc1 62a_200009892979_100000688953 [0,2,0,0,0,0|0,0,1]=3 12746 B17R1.754 C#CCNCCCCOC(=O)c1ccccc1 34a_100000212058_100000039408 [0,2,0,0,0,0|0,0,1]=3 12747 B17R1.754 C#CCOCCCCOC(=O)c1ccccc1 34a_100000210247_100000039408 [0,2,0,0,0,0|0,0,1]=3 12748 B17R1.754 C#CCOCCOCOC(=O)c1ccccc1 7a_100000054580_100000073877 [0,2,0,0,0,0|0,0,2]=4 12749 B17R1.754 C#CCOCCSCOC(=O)c1ccccc1 62a_100000073877_100010402529 [0,2,0,0,0,0|0,0,2]=4 12750 B17R1.754 C#CCOCCSCOC(=O)c1ccccc1 62a_100010402529_100000073877 [0,2,0,0,0,0|0,0,2]=4 12751 B17R1.754 C#CCSCCCCOC(=O)c1ccccc1 62a_100000038162_100000039408 [0,2,0,0,0,0|0,0,1]=3 12752 B17R1.754 C/C=C/CCOCCOC(=O)c1ccccc1 34a_100016278192_100009812718 [0,2,0,0,0,0|0,0,1]=3 12753 B17R1.754 C/C=C/COCCCOC(=O)c1ccccc1 34a_100016270725_200009892979 [0,2,0,0,0,0|0,0,1]=3 12754 B17R1.754 C/C=C/CSCCCOC(=O)c1ccccc1 62a_100102629194_200009892979 [0,2,0,0,0,0|0,0,1]=3 12755 B17R1.754 C/C=C/CSCCCOC(=O)c1ccccc1 62a_200009892979_100102629194 [0,2,0,0,0,0|0,0,1]=3 12756 B17R1.754 C=CCCCCCCCC(=O)c1ccccc1 1458a_100000185807_100012355270 [0,2,0,0,0,0|1,0,0]=3 12757 B17R1.754 C=CCCCCCCOC(C)c1ccccc1 34a_200011216477_100000211855 [0,2,0,0,0,0|1,0,1]=4 12758 B17R1.754 C=CCCCCCCOC(C)c1ccccc1 7a_200011216477_100000230085 [0,2,0,0,0,0|1,0,1]=4 12759 B17R1.754 C=CCCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100011215473 [0,2,0,0,0,0|1,0,1]=4 12760 B17R1.754 C=CCCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100011215473 [0,2,0,0,0,0|1,0,1]=4 12761 B17R1.754 C=CCCCCCOCC(=O)c1ccccc1 7a_100011216702_100000211460 [0,2,0,0,0,0|0,0,1]=3 12762 B17R1.754 C=CCCCCCOCC(=O)c1ccccn1 34a_100011216702_100000027445 [0,2,0,0,0,0|1,0,1]=4 12763 B17R1.754 C=CCCCCCOCC(=O)c1ccccn1 7a_100011216702_100000027445 [0,2,0,0,0,0|1,0,1]=4 12764 B17R1.754 C=CCCCCCOCC(=O)c1ccncc1 7a_100011216702_100015248511 [0,2,0,0,0,0|1,0,1]=4 12765 B17R1.754 C=CCCCCCSCC(=O)c1ccccc1 62a_100000211460_100000700193 [0,2,0,0,0,0|0,1,1]=4 12766 B17R1.754 C=CCCCCCSCC(=O)c1ccccc1 62a_100000700193_100000211460 [0,2,0,0,0,0|0,1,1]=4 12767 B17R1.754 C=CCCCCNCCC(=O)c1ccccc1 2230a_100000703577_100000750707 [0,2,0,0,0,0|1,0,1]=4 12768 B17R1.754 C=CCCCCOCCC(=O)c1ccccc1 7a_100000766645_100000750707 [0,2,0,0,0,0|0,0,2]=4 12769 B17R1.754 C=CCCCCOCOC(=O)c1ccccc1 7a_100000766645_100000073877 [0,2,0,0,0,0|0,0,1]=3 12770 B17R1.754 C=CCCCCSCCC(=O)c1ccccc1 62a_100000750707_100011215482 [0,2,0,0,0,0|1,0,1]=4 12771 B17R1.754 C=CCCCCSCCC(=O)c1ccccc1 62a_100011215482_100000750707 [0,2,0,0,0,0|1,0,1]=4 12772 B17R1.754 C=CCCCCSCOC(=O)c1ccccc1 62a_100000073877_100011215482 [0,2,0,0,0,0|0,0,1]=3 12773 B17R1.754 C=CCCCCSCOC(=O)c1ccccc1 62a_100011215482_100000073877 [0,2,0,0,0,0|0,0,1]=3 12774 B17R1.754 C=CCCCNCCCC(=O)c1ccccc1 2230a_100000700776_100000211006 [0,2,0,0,0,0|1,0,1]=4 12775 B17R1.754 C=CCCCNCCNC(=O)c1ccccc1 2230a_100000736134_100011713584 [0,2,0,0,0,0|1,0,1]=4 12776 B17R1.754 C=CCCCNCCOC(=O)c1ccccc1 34a_100000700776_100009812718 [0,2,0,0,0,0|0,0,1]=3 12777 B17R1.754 C=CCCCOCCCC(=O)c1ccccc1 7a_100000758997_100000211006 [0,2,0,0,0,0|1,0,1]=4 12778 B17R1.754 C=CCCCOCCNC(=O)c1ccccc1 34a_200000158897_100000757094 [0,2,0,0,0,0|1,0,1]=4 12779 B17R1.754 C=CCCCOCCNC(=O)c1ccccc1 7a_100000758997_200011215302 [0,2,0,0,0,0|1,0,1]=4 12780 B17R1.754 C=CCCCOCCNC(=O)c1ccccc1 7a_200000158897_100000757094 [0,2,0,0,0,0|1,0,1]=4 12781 B17R1.754 C=CCCCOCCOC(=O)c1ccccc1 34a_100000758997_100009812718 [0,2,0,0,0,0|0,0,1]=3 12782 B17R1.754 C=CCCCOCCOC(=O)c1ccccc1 7a_100000025465_100000757094 [0,2,0,0,0,0|0,0,1]=3 12783 B17R1.754 C=CCCCOCCOC(=O)c1ccccc1 7a_100000758997_100000184176 [0,2,0,0,0,0|0,0,1]=3 12784 B17R1.754 C=CCCCSCCCC(=O)c1ccccc1 62a_100000211006_100000757094 [0,2,0,0,0,0|1,0,1]=4 12785 B17R1.754 C=CCCCSCCCC(=O)c1ccccc1 62a_100011713584_100000211006 [0,2,0,0,0,0|1,0,1]=4 12786 B17R1.754 C=CCCCSCCNC(=O)c1ccccc1 62a_100011713584_200011215302 [0,2,0,0,0,0|1,0,1]=4 12787 B17R1.754 C=CCCCSCCNC(=O)c1ccccc1 62a_200011215302_100000757094 [0,2,0,0,0,0|1,0,1]=4 12788 B17R1.754 C=CCCCSCCOC(=O)c1ccccc1 62a_100009812718_100000757094 [0,2,0,0,0,0|0,0,1]=3 12789 B17R1.754 C=CCCCSCCOC(=O)c1ccccc1 62a_100011713584_100009812718 [0,2,0,0,0,0|0,0,1]=3 12790 B17R1.754 C=CCCOCCCOC(=O)c1ccccc1 34a_100011205117_200009892979 [0,2,0,0,0,0|0,0,1]=3 12791 B17R1.754 C=CCCSCCCOC(=O)c1ccccc1 62a_100000754431_200009892979 [0,2,0,0,0,0|0,0,1]=3 12792 B17R1.754 C=CCCSCCCOC(=O)c1ccccc1 62a_200009892979_100000754431 [0,2,0,0,0,0|0,0,1]=3 12793 B17R1.754 C=CCOCCCCOC(=O)c1ccccc1 34a_200000210373_100000039408 [0,2,0,0,0,0|0,0,1]=3 12794 B17R1.754 C=CCOCCOCOC(=O)c1ccccc1 7a_100000037705_100000073877 [0,2,0,0,0,0|0,0,2]=4 12795 B17R1.754 C=CCSCCCCOC(=O)c1ccccc1 62a_100000039408_100000210623 [0,2,0,0,0,0|0,0,1]=3 12796 B17R1.754 C=CCSCCCCOC(=O)c1ccccc1 62a_100000210623_100000039408 [0,2,0,0,0,0|0,0,1]=3 12797 B17R1.754 C=COCCCCOCC(=O)c1ccccc1 7a_100000031558_100000211460 [0,2,0,0,0,0|0,0,2]=4 12798 B17R1.754 C=COCCOCCOC(=O)c1ccccc1 34a_100000033082_100009812718 [0,2,0,0,0,0|0,0,2]=4 12799 B17R1.754 C=COCCOCCOC(=O)c1ccccc1 7a_100000025465_100000039644 [0,2,0,0,0,0|0,0,2]=4 12800 B17R1.754 C=COCCSCCOC(=O)c1ccccc1 62a_100000039644_100009812718 [0,2,0,0,0,0|0,0,2]=4 12801 B17R1.754 C=COCCSCCOC(=O)c1ccccc1 62a_100009812718_100000039644 [0,2,0,0,0,0|0,0,2]=4 12802 B17R1.754 CC#CCCOCCOC(=O)c1ccccc1 34a_100000750427_100009812718 [0,2,0,0,0,0|0,0,1]=3 12803 B17R1.754 CC#CCNCCCOC(=O)c1ccccc1 34a_100000685387_200009892979 [0,2,0,0,0,0|0,0,1]=3 12804 B17R1.754 CC#CCOCCCOC(=O)c1ccccc1 34a_100000761923_200009892979 [0,2,0,0,0,0|0,0,1]=3 12805 B17R1.754 CC#CCSCCCOC(=O)c1ccccc1 62a_100000748600_200009892979 [0,2,0,0,0,0|0,0,1]=3 12806 B17R1.754 CC#CCSCCCOC(=O)c1ccccc1 62a_200009892979_100000748600 [0,2,0,0,0,0|0,0,1]=3 12807 B17R1.754 CC(COCCCCCCBr)c1ccccc1 34a_100011215345_100000756946 [0,2,0,0,0,0|1,0,1]=4 12808 B17R1.754 CC(COCCCCCCBr)c1ccccc1 7a_100011215345_100000756946 [0,2,0,0,0,0|1,0,1]=4 12809 B17R1.754 CC(COCCCCCCCl)c1ccccc1 34a_100000766143_100000756946 [0,2,0,0,0,0|1,0,1]=4 12810 B17R1.754 CC(COCCCCCCCl)c1ccccc1 7a_100000766143_100000756946 [0,2,0,0,0,0|1,0,1]=4 12811 B17R1.754 CC(COCCCCCCF)c1ccccc1 34a_100000732779_100000756946 [0,2,0,0,0,0|1,0,1]=4 12812 B17R1.754 CC(COCCCCCCF)c1ccccc1 34a_100011215166_100015922095 [0,2,0,0,0,0|1,0,1]=4 12813 B17R1.754 CC(COCCCCCCF)c1ccccc1 7a_100000732779_100000756946 [0,2,0,0,0,0|1,0,1]=4 12814 B17R1.754 CC(COCCCCCCF)c1ccccc1 7a_100011215166_100015922095 [0,2,0,0,0,0|1,0,1]=4 12815 B17R1.754 CC(COCCCCCCN)c1ccccc1 34a_100000686447_100000756946 [0,2,0,0,0,0|1,0,1]=4 12816 B17R1.754 CC(COCCCCCCO)c1ccccc1 34a_100011215166_100000766143 [0,2,0,0,0,0|1,0,1]=4 12817 B17R1.754 CC(COCCCCCCO)c1ccccc1 7a_100011215166_100000766143 [0,2,0,0,0,0|1,0,1]=4 12818 B17R1.754 CC(OCCCCCCCBr)c1ccccc1 34a_100000760002_100000211855 [0,2,0,0,0,0|1,0,1]=4 12819 B17R1.754 CC(OCCCCCCCBr)c1ccccc1 7a_100000760002_100000230085 [0,2,0,0,0,0|1,0,1]=4 12820 B17R1.754 CC(OCCCCCCCN)c1ccccc1 34a_100011996573_100000211855 [0,2,0,0,0,0|1,0,1]=4 12821 B17R1.754 CC(OCCCNCCCF)c1ccccc1 2230a_100000206020_100011934791 [0,2,0,0,0,0|1,0,1]=4 12822 B17R1.754 CC(OCCCNCCCF)c1ccccc1 34a_100000206020_100011934791 [0,2,0,0,0,0|1,0,1]=4 12823 B17R1.754 CC(OCCCNCCCO)c1ccccc1 2230a_100000206020_100000230001 [0,2,0,0,0,0|1,0,1]=4 12824 B17R1.754 CC(OCCCNCCCO)c1ccccc1 34a_100000206020_100000230001 [0,2,0,0,0,0|1,0,1]=4 12825 B17R1.754 CC(OCCCOCCCN)c1ccccc1 34a_100011310245_100000211855 [0,2,0,0,0,0|1,0,1]=4 12826 B17R1.754 CC/C=C/CCCOCC(=O)c1ccccc1 7a_100016287902_100000211460 [0,2,0,0,0,0|0,0,1]=3 12827 B17R1.754 CC/C=C/CCCOCC(=O)c1ccccn1 34a_100016287902_100000027445 [0,2,0,0,0,0|1,0,1]=4 12828 B17R1.754 CC/C=C/CCCOCC(=O)c1ccccn1 7a_100016287902_100000027445 [0,2,0,0,0,0|1,0,1]=4 12829 B17R1.754 CC/C=C/CCCOCC(=O)c1ccncc1 7a_100016287902_100015248511 [0,2,0,0,0,0|1,0,1]=4 12830 B17R1.754 CC/C=C\CCCCOC(C)c1ccccc1 34a_100016287862_100000211855 [0,2,0,0,0,0|1,0,1]=4 12831 B17R1.754 CC/C=C\CCCCOC(C)c1ccccc1 7a_100016287862_100000230085 [0,2,0,0,0,0|1,0,1]=4 12832 B17R1.754 CC/C=C\CCOCCC(=O)c1ccccc1 7a_100016288707_100000750707 [0,2,0,0,0,0|0,0,2]=4 12833 B17R1.754 CC/C=C\CCOCOC(=O)c1ccccc1 7a_100016288707_100000073877 [0,2,0,0,0,0|0,0,1]=3 12834 B17R1.754 CC/C=C\CCSCCC(=O)c1ccccc1 62a_100000750707_100015370543 [0,2,0,0,0,0|1,0,1]=4 12835 B17R1.754 CC/C=C\CCSCCC(=O)c1ccccc1 62a_100015370543_100000750707 [0,2,0,0,0,0|1,0,1]=4 12836 B17R1.754 CC/C=C\CCSCOC(=O)c1ccccc1 62a_100000073877_100015370543 [0,2,0,0,0,0|0,0,1]=3 12837 B17R1.754 CC/C=C\CCSCOC(=O)c1ccccc1 62a_100015370543_100000073877 [0,2,0,0,0,0|0,0,1]=3 12838 B17R1.754 CC/C=C\CNCCNC(=O)c1ccccc1 2230a_100000736134_100103147603 [0,2,0,0,0,0|1,0,1]=4 12839 B17R1.754 CC/C=C\COCCNC(=O)c1ccccc1 34a_200000158897_100103147603 [0,2,0,0,0,0|1,0,1]=4 12840 B17R1.754 CC/C=C\COCCNC(=O)c1ccccc1 7a_200000158897_100103147603 [0,2,0,0,0,0|1,0,1]=4 12841 B17R1.754 CC/C=C\COCCOC(=O)c1ccccc1 34a_100016268518_100009812718 [0,2,0,0,0,0|0,0,1]=3 12842 B17R1.754 CC/C=C\COCCOC(=O)c1ccccc1 7a_100000025465_100103147603 [0,2,0,0,0,0|0,0,1]=3 12843 B17R1.754 CC/C=C\CSCCCC(=O)c1ccccc1 62a_100000211006_100103147603 [0,2,0,0,0,0|1,0,1]=4 12844 B17R1.754 CC/C=C\CSCCCC(=O)c1ccccc1 62a_100103147603_100000211006 [0,2,0,0,0,0|1,0,1]=4 12845 B17R1.754 CC/C=C\CSCCNC(=O)c1ccccc1 62a_100103147603_200011215302 [0,2,0,0,0,0|1,0,1]=4 12846 B17R1.754 CC/C=C\CSCCNC(=O)c1ccccc1 62a_200011215302_100103147603 [0,2,0,0,0,0|1,0,1]=4 12847 B17R1.754 CC/C=C\CSCCOC(=O)c1ccccc1 62a_100009812718_100103147603 [0,2,0,0,0,0|0,0,1]=3 12848 B17R1.754 CC/C=C\CSCCOC(=O)c1ccccc1 62a_100103147603_100009812718 [0,2,0,0,0,0|0,0,1]=3 12849 B17R1.754 CC=CCSCCCOC(=O)c1ccccc1 62a_100000070051_200009892979 [0,2,0,0,0,0|0,0,1]=3 12850 B17R1.754 CC=CCSCCCOC(=O)c1ccccc1 62a_200009892979_100000070051 [0,2,0,0,0,0|0,0,1]=3 12851 B17R1.754 CCC#CCCOCCC(=O)c1ccccc1 7a_100000036655_100000750707 [0,2,0,0,0,0|0,0,2]=4 12852 B17R1.754 CCC#CCCOCOC(=O)c1ccccc1 7a_100000036655_100000073877 [0,2,0,0,0,0|0,0,1]=3 12853 B17R1.754 CCC#CCNCCNC(=O)c1ccccc1 2230a_100000736134_100009813939 [0,2,0,0,0,0|1,0,1]=4 12854 B17R1.754 CCC#CCOCCNC(=O)c1ccccc1 34a_200000158897_100009813939 [0,2,0,0,0,0|1,0,1]=4 12855 B17R1.754 CCC#CCOCCNC(=O)c1ccccc1 7a_200000158897_100009813939 [0,2,0,0,0,0|1,0,1]=4 12856 B17R1.754 CCC#CCOCCOC(=O)c1ccccc1 34a_100000032950_100009812718 [0,2,0,0,0,0|0,0,1]=3 12857 B17R1.754 CCC#CCOCCOC(=O)c1ccccc1 7a_100000025465_100009813939 [0,2,0,0,0,0|0,0,1]=3 12858 B17R1.754 CCC#CCSCCCC(=O)c1ccccc1 62a_100000211006_100009813939 [0,2,0,0,0,0|1,0,1]=4 12859 B17R1.754 CCC#CCSCCCC(=O)c1ccccc1 62a_100009813939_100000211006 [0,2,0,0,0,0|1,0,1]=4 12860 B17R1.754 CCC#CCSCCNC(=O)c1ccccc1 62a_100009813939_200011215302 [0,2,0,0,0,0|1,0,1]=4 12861 B17R1.754 CCC#CCSCCNC(=O)c1ccccc1 62a_200011215302_100009813939 [0,2,0,0,0,0|1,0,1]=4 12862 B17R1.754 CCC#CCSCCOC(=O)c1ccccc1 62a_100009812718_100009813939 [0,2,0,0,0,0|0,0,1]=3 12863 B17R1.754 CCC#CCSCCOC(=O)c1ccccc1 62a_100009813939_100009812718 [0,2,0,0,0,0|0,0,1]=3 12864 B17R1.754 CCC/C=C/COCCC(=O)c1ccccc1 7a_100016278788_100000750707 [0,2,0,0,0,0|0,0,2]=4 12865 B17R1.754 CCC/C=C/COCOC(=O)c1ccccc1 7a_100016278788_100000073877 [0,2,0,0,0,0|0,0,1]=3 12866 B17R1.754 CCCC#CCCOCC(=O)c1ccccc1 7a_100000042726_100000211460 [0,2,0,0,0,0|0,0,1]=3 12867 B17R1.754 CCCC#CCCOCC(=O)c1ccccn1 34a_100000042726_100000027445 [0,2,0,0,0,0|1,0,1]=4 12868 B17R1.754 CCCC#CCCOCC(=O)c1ccccn1 7a_100000042726_100000027445 [0,2,0,0,0,0|1,0,1]=4 12869 B17R1.754 CCCC#CCCOCC(=O)c1ccncc1 7a_100000042726_100015248511 [0,2,0,0,0,0|1,0,1]=4 12870 B17R1.754 CCCC#CCOCCC(=O)c1ccccc1 7a_100000034806_100000750707 [0,2,0,0,0,0|0,0,2]=4 12871 B17R1.754 CCCC#CCOCOC(=O)c1ccccc1 7a_100000034806_100000073877 [0,2,0,0,0,0|0,0,1]=3 12872 B17R1.754 CCCC/C=C/COCC(=O)c1ccccc1 7a_200016272032_100000211460 [0,2,0,0,0,0|0,0,1]=3 12873 B17R1.754 CCCC/C=C/COCC(=O)c1ccccn1 34a_200016272032_100000027445 [0,2,0,0,0,0|1,0,1]=4 12874 B17R1.754 CCCC/C=C/COCC(=O)c1ccccn1 7a_200016272032_100000027445 [0,2,0,0,0,0|1,0,1]=4 12875 B17R1.754 CCCC/C=C/COCC(=O)c1ccncc1 7a_200016272032_100015248511 [0,2,0,0,0,0|1,0,1]=4 12876 B17R1.754 CCCC/C=C\CCOC(C)c1ccccc1 34a_200016286491_100000211855 [0,2,0,0,0,0|1,0,1]=4 12877 B17R1.754 CCCC/C=C\CCOC(C)c1ccccc1 7a_200016286491_100000230085 [0,2,0,0,0,0|1,0,1]=4 12878 B17R1.754 CCCCC#CCCCC(=O)c1ccccc1 1458a_100000185807_200000047210 [0,2,0,0,0,0|1,0,0]=3 12879 B17R1.754 CCCCC#CCCOC(C)c1ccccc1 34a_100000037610_100000211855 [0,2,0,0,0,0|1,0,1]=4 12880 B17R1.754 CCCCC#CCCOC(C)c1ccccc1 7a_100000037610_100000230085 [0,2,0,0,0,0|1,0,1]=4 12881 B17R1.754 CCCCC#CCOCC(=O)c1ccccc1 7a_200000034558_100000211460 [0,2,0,0,0,0|0,0,1]=3 12882 B17R1.754 CCCCC#CCOCC(=O)c1ccccn1 34a_200000034558_100000027445 [0,2,0,0,0,0|1,0,1]=4 12883 B17R1.754 CCCCC#CCOCC(=O)c1ccccn1 7a_200000034558_100000027445 [0,2,0,0,0,0|1,0,1]=4 12884 B17R1.754 CCCCC#CCOCC(=O)c1ccncc1 7a_200000034558_100015248511 [0,2,0,0,0,0|1,0,1]=4 12885 B17R1.754 CCCCC/C=C/COC(C)c1ccccc1 34a_100016258190_100000211855 [0,2,0,0,0,0|1,0,1]=4 12886 B17R1.754 CCCCC/C=C/COC(C)c1ccccc1 7a_100016258190_100000230085 [0,2,0,0,0,0|1,0,1]=4 12887 B17R1.754 CCCCCC#CCOC(C)c1ccccc1 34a_200000033628_100000211855 [0,2,0,0,0,0|1,0,1]=4 12888 B17R1.754 CCCCCC#CCOC(C)c1ccccc1 7a_200000033628_100000230085 [0,2,0,0,0,0|1,0,1]=4 12889 B17R1.754 CCCCCC#CCO[C@H](C)c1ccccc1 34a_100000761318_100009816472 [0,2,0,0,0,0|1,0,1]=4 12890 B17R1.754 CCCCCC#CCO[C@H](C)c1ccccc1 7a_100000761318_100009816472 [0,2,0,0,0,0|1,0,1]=4 12891 B17R1.754 CCCCCCC=NNC(=O)c1ccccc1 4a_100000184135_100000234349 [0,2,0,0,0,0|1,0,0]=3 12892 B17R1.754 CCCCCCC=NNC(=O)c1ccccn1 4a_100000184044_100000234349 [0,2,0,0,0,0|2,0,0]=4 12893 B17R1.754 CCCCCCC=NNC(=O)c1cccnc1 4a_100000189771_100000234349 [0,2,0,0,0,0|2,0,0]=4 12894 B17R1.754 CCCCCCC=NNC(=O)c1ccncc1 4a_100000189768_100000234349 [0,2,0,0,0,0|2,0,0]=4 12895 B17R1.754 CCCCCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210670 [0,2,0,0,0,0|1,0,0]=3 12896 B17R1.754 CCCCCCCCNC(=O)c1ccccc1 11a_100000229939_100000185807 [0,2,0,0,0,0|1,0,0]=3 12897 B17R1.754 CCCCCCCCNC(=O)c1ccccc1 1626a_100000229939_100000185807 [0,2,0,0,0,0|1,0,0]=3 12898 B17R1.754 CCCCCCCCNC(=O)c1ccccc1 240690a_100000229939_100000185807 [0,2,0,0,0,0|1,0,0]=3 12899 B17R1.754 CCCCCCCCNC(=O)c1ccccc1 527a_100000229939_100000185807 [0,2,0,0,0,0|1,0,0]=3 12900 B17R1.754 CCCCCCCCOC(C)c1ccccc1 34a_100000210232_100000211855 [0,2,0,0,0,0|1,0,1]=4 12901 B17R1.754 CCCCCCCCOC(C)c1ccccc1 7a_100000210232_100000230085 [0,2,0,0,0,0|1,0,1]=4 12902 B17R1.754 CCCCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210759 [0,2,0,0,0,0|1,0,1]=4 12903 B17R1.754 CCCCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210759 [0,2,0,0,0,0|1,0,1]=4 12904 B17R1.754 CCCCCCCOCC(=O)c1ccccc1 7a_100000210272_100000211460 [0,2,0,0,0,0|0,0,0]=2 12905 B17R1.754 CCCCCCCOCC(=O)c1ccccn1 34a_100000210272_100000027445 [0,2,0,0,0,0|1,0,0]=3 12906 B17R1.754 CCCCCCCOCC(=O)c1ccccn1 7a_100000210272_100000027445 [0,2,0,0,0,0|1,0,0]=3 12907 B17R1.754 CCCCCCCOCC(=O)c1ccncc1 7a_100000210272_100015248511 [0,2,0,0,0,0|1,0,0]=3 12908 B17R1.754 CCCCCCCOCC(C)c1ccccc1 34a_100000210272_100000756946 [0,2,0,0,0,0|1,0,1]=4 12909 B17R1.754 CCCCCCCOCC(C)c1ccccc1 34a_100011215166_100000210614 [0,2,0,0,0,0|1,0,1]=4 12910 B17R1.754 CCCCCCCOCC(C)c1ccccc1 7a_100000210272_100000756946 [0,2,0,0,0,0|1,0,1]=4 12911 B17R1.754 CCCCCCCOCC(C)c1ccccc1 7a_100011215166_100000210614 [0,2,0,0,0,0|1,0,1]=4 12912 B17R1.754 CCCCCCCOCC(O)c1ccccc1 34a_100000210272_100000185958 [0,2,0,0,0,0|0,0,2]=4 12913 B17R1.754 CCCCCCCOCC(O)c1ccccc1 7a_100000210272_100000185958 [0,2,0,0,0,0|0,0,2]=4 12914 B17R1.754 CCCCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210614 [0,2,0,0,0,0|1,0,1]=4 12915 B17R1.754 CCCCCCCOC[C@@H](O)c1ccccc1 34a_100000210272_100011933945 [0,2,0,0,0,0|0,0,2]=4 12916 B17R1.754 CCCCCCCOC[C@@H](O)c1ccccc1 7a_100000210272_100011933945 [0,2,0,0,0,0|0,0,2]=4 12917 B17R1.754 CCCCCCCSCC(=O)c1ccccc1 62a_100000210614_100000211460 [0,2,0,0,0,0|0,1,0]=3 12918 B17R1.754 CCCCCCCSCC(=O)c1ccccc1 62a_100000211460_100000210316 [0,2,0,0,0,0|0,1,0]=3 12919 B17R1.754 CCCCCCCSCC(=O)c1ccccn1 62a_100000027445_100000210316 [0,2,0,0,0,0|1,1,0]=4 12920 B17R1.754 CCCCCCCSCC(=O)c1ccccn1 62a_100000210614_100000027445 [0,2,0,0,0,0|1,1,0]=4 12921 B17R1.754 CCCCCCCSCC(=O)c1cccnc1 62a_100000210614_100000757877 [0,2,0,0,0,0|1,1,0]=4 12922 B17R1.754 CCCCCCCSCC(=O)c1cccnc1 62a_100000757877_100000210316 [0,2,0,0,0,0|1,1,0]=4 12923 B17R1.754 CCCCCCCSCC(=O)c1ccncc1 62a_100000027454_100000210316 [0,2,0,0,0,0|1,1,0]=4 12924 B17R1.754 CCCCCCCSCC(=O)c1ccncc1 62a_100000210614_100000027454 [0,2,0,0,0,0|1,1,0]=4 12925 B17R1.754 CCCCCCCSCS(=O)c1ccccc1 62a_100000210614_100000031784 [0,2,0,0,0,0|1,1,0]=4 12926 B17R1.754 CCCCCCNCCC(=O)c1ccccc1 2230a_100000210581_100000750707 [0,2,0,0,0,0|1,0,0]=3 12927 B17R1.754 CCCCCCNCCS(=O)c1ccccc1 2230a_100000210581_100000740319 [0,2,0,0,0,0|2,0,0]=4 12928 B17R1.754 CCCCCCOCCC(=O)c1ccccc1 7a_100000210259_100000750707 [0,2,0,0,0,0|0,0,0]=2 12929 B17R1.754 CCCCCCOCCS(=O)c1ccccc1 7a_100000210259_100000740319 [0,2,0,0,0,0|1,0,0]=3 12930 B17R1.754 CCCCCCOCC[C@@H](O)c1ccccc1 34a_100000210259_100000729684 [0,2,0,0,0,0|0,0,2]=4 12931 B17R1.754 CCCCCCOCC[C@@H](O)c1ccccc1 7a_100000210259_100000729684 [0,2,0,0,0,0|0,0,2]=4 12932 B17R1.754 CCCCCCOCC[C@H](N)c1ccccc1 34a_100025705951_100000210314 [0,2,0,0,0,0|1,0,1]=4 12933 B17R1.754 CCCCCCOCOC(=O)c1ccccc1 7a_100000210259_100000073877 [0,2,0,0,0,0|0,0,0]=2 12934 B17R1.754 CCCCCCSCCC(=O)c1ccccc1 62a_100000210314_100000750707 [0,2,0,0,0,0|0,1,0]=3 12935 B17R1.754 CCCCCCSCCC(=O)c1ccccc1 62a_100000750707_100000210757 [0,2,0,0,0,0|0,1,0]=3 12936 B17R1.754 CCCCCCSCCS(=O)c1ccccc1 62a_100000210314_100000740319 [0,2,0,0,0,0|1,1,0]=4 12937 B17R1.754 CCCCCCSCOC(=O)c1ccccc1 62a_100000073877_100000210757 [0,2,0,0,0,0|0,0,0]=2 12938 B17R1.754 CCCCCCSCOC(=O)c1ccccc1 62a_100000210314_100000073877 [0,2,0,0,0,0|0,0,0]=2 12939 B17R1.754 CCCCCNCCCC(=O)c1ccccc1 2230a_100000209983_100000211006 [0,2,0,0,0,0|1,0,0]=3 12940 B17R1.754 CCCCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210326 [0,2,0,0,0,0|1,0,0]=3 12941 B17R1.754 CCCCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210326 [0,2,0,0,0,0|2,0,0]=4 12942 B17R1.754 CCCCCNCCOC(C)c1ccccc1 34a_100000224656_100000211855 [0,2,0,0,0,0|1,0,1]=4 12943 B17R1.754 CCCCCOCCCC(=O)c1ccccc1 7a_100000210253_100000211006 [0,2,0,0,0,0|1,0,0]=3 12944 B17R1.754 CCCCCOCCNC(=O)c1ccccc1 34a_200000158897_100000718602 [0,2,0,0,0,0|1,0,0]=3 12945 B17R1.754 CCCCCOCCNC(=O)c1ccccc1 7a_100000210253_200011215302 [0,2,0,0,0,0|1,0,0]=3 12946 B17R1.754 CCCCCOCCNC(=O)c1ccccc1 7a_200000158897_100000210326 [0,2,0,0,0,0|1,0,0]=3 12947 B17R1.754 CCCCCOCCOC(=O)c1ccccc1 34a_100000210253_100009812718 [0,2,0,0,0,0|0,0,0]=2 12948 B17R1.754 CCCCCOCCOC(=O)c1ccccc1 7a_100000025465_100000210326 [0,2,0,0,0,0|0,0,0]=2 12949 B17R1.754 CCCCCOCCOC(=O)c1ccccc1 7a_100000210253_100000184176 [0,2,0,0,0,0|0,0,0]=2 12950 B17R1.754 CCCCCOCCOC(C)c1ccccc1 34a_100011215259_100000211855 [0,2,0,0,0,0|1,0,1]=4 12951 B17R1.754 CCCCCOCCOC(C)c1ccccc1 7a_100011215259_100000230085 [0,2,0,0,0,0|1,0,1]=4 12952 B17R1.754 CCCCCSCCCC(=O)c1ccccc1 62a_100000210326_100000211006 [0,2,0,0,0,0|1,0,0]=3 12953 B17R1.754 CCCCCSCCCC(=O)c1ccccc1 62a_100000211006_100000210326 [0,2,0,0,0,0|1,0,0]=3 12954 B17R1.754 CCCCCSCCNC(=O)c1ccccc1 62a_100000210326_200011215302 [0,2,0,0,0,0|1,0,0]=3 12955 B17R1.754 CCCCCSCCNC(=O)c1ccccc1 62a_200011215302_100000210326 [0,2,0,0,0,0|1,0,0]=3 12956 B17R1.754 CCCCCSCCOC(=O)c1ccccc1 62a_100000210326_100009812718 [0,2,0,0,0,0|0,0,0]=2 12957 B17R1.754 CCCCCSCCOC(=O)c1ccccc1 62a_100009812718_100000210326 [0,2,0,0,0,0|0,0,0]=2 12958 B17R1.754 CCCCNCCCOC(=O)c1ccccc1 7a_106832991798_200009892979 [0,2,0,0,0,0|0,0,0]=2 12959 B17R1.754 CCCCNCCCOC(C)c1ccccc1 2230a_100000206020_100000210211 [0,2,0,0,0,0|1,0,1]=4 12960 B17R1.754 CCCCNCCCOC(C)c1ccccc1 34a_100000206020_100000210210 [0,2,0,0,0,0|1,0,1]=4 12961 B17R1.754 CCCCOCCCNC(=O)c1ccccc1 1626a_200000211371_100000185807 [0,2,0,0,0,0|1,0,0]=3 12962 B17R1.754 CCCCOCCCNC(=O)c1ccccc1 240690a_200000211371_100000185807 [0,2,0,0,0,0|1,0,0]=3 12963 B17R1.754 CCCCOCCCNC(=O)c1ccccc1 527a_200000211371_100000185807 [0,2,0,0,0,0|1,0,0]=3 12964 B17R1.754 CCCCOCCCOC(=O)c1ccccc1 34a_100000210227_200009892979 [0,2,0,0,0,0|0,0,0]=2 12965 B17R1.754 CCCCOCCCOC(=O)c1ccccc1 7a_100000210227_200009892979 [0,2,0,0,0,0|0,0,0]=2 12966 B17R1.754 CCCCOCCCOC(C)c1ccccc1 34a_200011215613_100000211855 [0,2,0,0,0,0|1,0,1]=4 12967 B17R1.754 CCCCOCCCOC(C)c1ccccc1 7a_200011215613_100000230085 [0,2,0,0,0,0|1,0,1]=4 12968 B17R1.754 CCCCOCCOCC(=O)c1ccccc1 7a_100000210238_100000211460 [0,2,0,0,0,0|0,0,0]=2 12969 B17R1.754 CCCCOCCOCC(=O)c1ccccn1 34a_100000210238_100000027445 [0,2,0,0,0,0|1,0,0]=3 12970 B17R1.754 CCCCOCCOCC(=O)c1ccccn1 7a_100000210238_100000027445 [0,2,0,0,0,0|1,0,0]=3 12971 B17R1.754 CCCCOCCOCC(=O)c1ccncc1 7a_100000210238_100015248511 [0,2,0,0,0,0|1,0,0]=3 12972 B17R1.754 CCCCOCCOCC(C)c1ccccc1 34a_100000210238_100000756946 [0,2,0,0,0,0|1,0,1]=4 12973 B17R1.754 CCCCOCCOCC(C)c1ccccc1 34a_100011215166_100000743108 [0,2,0,0,0,0|1,0,1]=4 12974 B17R1.754 CCCCOCCOCC(C)c1ccccc1 7a_100000210238_100000756946 [0,2,0,0,0,0|1,0,1]=4 12975 B17R1.754 CCCCOCCOCC(C)c1ccccc1 7a_100011215166_100000743108 [0,2,0,0,0,0|1,0,1]=4 12976 B17R1.754 CCCCOCCOCC(O)c1ccccc1 34a_100000210238_100000185958 [0,2,0,0,0,0|0,0,2]=4 12977 B17R1.754 CCCCOCCOCC(O)c1ccccc1 7a_100000210238_100000185958 [0,2,0,0,0,0|0,0,2]=4 12978 B17R1.754 CCCCOCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000743108 [0,2,0,0,0,0|1,0,1]=4 12979 B17R1.754 CCCCOCCOC[C@@H](O)c1ccccc1 34a_100000210238_100011933945 [0,2,0,0,0,0|0,0,2]=4 12980 B17R1.754 CCCCOCCOC[C@@H](O)c1ccccc1 7a_100000210238_100011933945 [0,2,0,0,0,0|0,0,2]=4 12981 B17R1.754 CCCCOCCSCC(=O)c1ccccc1 62a_100000211460_100000743108 [0,2,0,0,0,0|0,1,0]=3 12982 B17R1.754 CCCCOCCSCC(=O)c1ccccc1 62a_100000743108_100000211460 [0,2,0,0,0,0|0,1,0]=3 12983 B17R1.754 CCCCOCCSCC(=O)c1ccccn1 62a_100000027445_100000743108 [0,2,0,0,0,0|1,1,0]=4 12984 B17R1.754 CCCCOCCSCC(=O)c1ccccn1 62a_100000743108_100000027445 [0,2,0,0,0,0|1,1,0]=4 12985 B17R1.754 CCCCOCCSCC(=O)c1cccnc1 62a_100000743108_100000757877 [0,2,0,0,0,0|1,1,0]=4 12986 B17R1.754 CCCCOCCSCC(=O)c1cccnc1 62a_100000757877_100000743108 [0,2,0,0,0,0|1,1,0]=4 12987 B17R1.754 CCCCOCCSCC(=O)c1ccncc1 62a_100000027454_100000743108 [0,2,0,0,0,0|1,1,0]=4 12988 B17R1.754 CCCCOCCSCC(=O)c1ccncc1 62a_100000743108_100000027454 [0,2,0,0,0,0|1,1,0]=4 12989 B17R1.754 CCCCOCCSCS(=O)c1ccccc1 62a_100000743108_100000031784 [0,2,0,0,0,0|1,1,0]=4 12990 B17R1.754 CCCCOCSCCC(=O)c1ccccc1 62a_100000750707_100011995733 [0,2,0,0,0,0|1,0,0]=3 12991 B17R1.754 CCCCOCSCCC(=O)c1ccccc1 62a_100011995733_100000750707 [0,2,0,0,0,0|1,0,0]=3 12992 B17R1.754 CCCCOCSCCS(=O)c1ccccc1 62a_100011995733_100000740319 [0,2,0,0,0,0|2,0,0]=4 12993 B17R1.754 CCCCOCSCOC(=O)c1ccccc1 62a_100000073877_100011995733 [0,2,0,0,0,0|0,0,0]=2 12994 B17R1.754 CCCCOCSCOC(=O)c1ccccc1 62a_100011995733_100000073877 [0,2,0,0,0,0|0,0,0]=2 12995 B17R1.754 CCCCSCCCOC(=O)c1ccccc1 62a_100000210211_200009892979 [0,2,0,0,0,0|0,0,0]=2 12996 B17R1.754 CCCCSCCCOC(=O)c1ccccc1 62a_200009892979_100000210210 [0,2,0,0,0,0|0,0,0]=2 12997 B17R1.754 CCCCSCCOCC(=O)c1ccccc1 7a_200000230436_100000211460 [0,2,0,0,0,0|0,0,0]=2 12998 B17R1.754 CCCCSCCOCC(=O)c1ccccn1 34a_200000230436_100000027445 [0,2,0,0,0,0|1,0,0]=3 12999 B17R1.754 CCCCSCCOCC(=O)c1ccccn1 7a_200000230436_100000027445 [0,2,0,0,0,0|1,0,0]=3 13000 B17R1.754 CCCCSCCOCC(=O)c1ccncc1 7a_200000230436_100015248511 [0,2,0,0,0,0|1,0,0]=3 13001 B17R1.754 CCCCSCCOCC(C)c1ccccc1 34a_200000230436_100000756946 [0,2,0,0,0,0|1,0,1]=4 13002 B17R1.754 CCCCSCCOCC(C)c1ccccc1 7a_200000230436_100000756946 [0,2,0,0,0,0|1,0,1]=4 13003 B17R1.754 CCCCSCCOCC(O)c1ccccc1 34a_200000230436_100000185958 [0,2,0,0,0,0|0,0,2]=4 13004 B17R1.754 CCCCSCCOCC(O)c1ccccc1 7a_200000230436_100000185958 [0,2,0,0,0,0|0,0,2]=4 13005 B17R1.754 CCCCSCCOC[C@@H](O)c1ccccc1 34a_200000230436_100011933945 [0,2,0,0,0,0|0,0,2]=4 13006 B17R1.754 CCCCSCCOC[C@@H](O)c1ccccc1 7a_200000230436_100011933945 [0,2,0,0,0,0|0,0,2]=4 13007 B17R1.754 CCCOCCCCOC(=O)c1ccccc1 34a_100000210258_100000039408 [0,2,0,0,0,0|0,0,0]=2 13008 B17R1.754 CCCOCCCNCC(=O)c1ccccn1 34a_100011217757_100000027445 [0,2,0,0,0,0|2,0,0]=4 13009 B17R1.754 CCCOCCNCCC(=O)c1ccccc1 2230a_100161115042_100000750707 [0,2,0,0,0,0|1,0,0]=3 13010 B17R1.754 CCCOCCNCCS(=O)c1ccccc1 2230a_100161115042_100000740319 [0,2,0,0,0,0|2,0,0]=4 13011 B17R1.754 CCCOCCOCCC(=O)c1ccccc1 7a_100000752267_100000750707 [0,2,0,0,0,0|1,0,0]=3 13012 B17R1.754 CCCOCCOCCS(=O)c1ccccc1 7a_100000752267_100000740319 [0,2,0,0,0,0|2,0,0]=4 13013 B17R1.754 CCCOCCOCOC(=O)c1ccccc1 7a_100000752267_100000073877 [0,2,0,0,0,0|0,0,0]=2 13014 B17R1.754 CCCOCCSCCC(=O)c1ccccc1 62a_100000750707_100011215938 [0,2,0,0,0,0|1,0,0]=3 13015 B17R1.754 CCCOCCSCCC(=O)c1ccccc1 62a_100011215938_100000750707 [0,2,0,0,0,0|1,0,0]=3 13016 B17R1.754 CCCOCCSCCS(=O)c1ccccc1 62a_100011215938_100000740319 [0,2,0,0,0,0|2,0,0]=4 13017 B17R1.754 CCCOCCSCOC(=O)c1ccccc1 62a_100000073877_100011215938 [0,2,0,0,0,0|0,0,0]=2 13018 B17R1.754 CCCOCCSCOC(=O)c1ccccc1 62a_100011215938_100000073877 [0,2,0,0,0,0|0,0,0]=2 13019 B17R1.754 CCCSCCCCOC(=O)c1ccccc1 62a_100000039408_100000210303 [0,2,0,0,0,0|0,0,0]=2 13020 B17R1.754 CCCSCCCCOC(=O)c1ccccc1 62a_100000210303_100000039408 [0,2,0,0,0,0|0,0,0]=2 13021 B17R1.754 CCCSCCNCCC(=O)c1ccccc1 2230a_100020603323_100000750707 [0,2,0,0,0,0|1,0,0]=3 13022 B17R1.754 CCCSCCNCCS(=O)c1ccccc1 2230a_100020603323_100000740319 [0,2,0,0,0,0|2,0,0]=4 13023 B17R1.754 CCCSCCOCCC(=O)c1ccccc1 7a_200000230433_100000750707 [0,2,0,0,0,0|1,0,0]=3 13024 B17R1.754 CCCSCCOCCS(=O)c1ccccc1 7a_200000230433_100000740319 [0,2,0,0,0,0|2,0,0]=4 13025 B17R1.754 CCCSCCOCOC(=O)c1ccccc1 7a_200000230433_100000073877 [0,2,0,0,0,0|0,0,0]=2 13026 B17R1.754 CCOCCCNCCC(=O)c1ccccc1 2230a_100000210961_100000750707 [0,2,0,0,0,0|1,0,0]=3 13027 B17R1.754 CCOCCCNCCS(=O)c1ccccc1 2230a_100000210961_100000740319 [0,2,0,0,0,0|2,0,0]=4 13028 B17R1.754 CCOCCCOCCC(=O)c1ccccc1 7a_100000757476_100000750707 [0,2,0,0,0,0|1,0,0]=3 13029 B17R1.754 CCOCCCOCCS(=O)c1ccccc1 7a_100000757476_100000740319 [0,2,0,0,0,0|2,0,0]=4 13030 B17R1.754 CCOCCCOCOC(=O)c1ccccc1 7a_100000757476_100000073877 [0,2,0,0,0,0|0,0,0]=2 13031 B17R1.754 CCOCCCSCCC(=O)c1ccccc1 62a_100000750707_100012232248 [0,2,0,0,0,0|1,0,0]=3 13032 B17R1.754 CCOCCCSCCC(=O)c1ccccc1 62a_100012232248_100000750707 [0,2,0,0,0,0|1,0,0]=3 13033 B17R1.754 CCOCCCSCCS(=O)c1ccccc1 62a_100012232248_100000740319 [0,2,0,0,0,0|2,0,0]=4 13034 B17R1.754 CCOCCCSCOC(=O)c1ccccc1 62a_100000073877_100012232248 [0,2,0,0,0,0|0,0,0]=2 13035 B17R1.754 CCOCCCSCOC(=O)c1ccccc1 62a_100012232248_100000073877 [0,2,0,0,0,0|0,0,0]=2 13036 B17R1.754 CCOCCNCCCC(=O)c1ccccc1 2230a_102516460346_100000211006 [0,2,0,0,0,0|1,0,0]=3 13037 B17R1.754 CCOCCNCCNC(=O)c1ccccc1 2230a_100000736134_100011215890 [0,2,0,0,0,0|1,0,0]=3 13038 B17R1.754 CCOCCNCCNC(=O)c1ccncc1 2230a_200011198449_100011215890 [0,2,0,0,0,0|2,0,0]=4 13039 B17R1.754 CCOCCNCCOC(=O)c1ccccc1 34a_102516460346_100009812718 [0,2,0,0,0,0|0,0,0]=2 13040 B17R1.754 CCOCCOCCCC(=O)c1ccccc1 7a_100000210136_100000211006 [0,2,0,0,0,0|1,0,0]=3 13041 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 11a_100102712874_100000185807 [0,2,0,0,0,0|1,0,0]=3 13042 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 1626a_100102712874_100000185807 [0,2,0,0,0,0|1,0,0]=3 13043 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 240690a_100102712874_100000185807 [0,2,0,0,0,0|1,0,0]=3 13044 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 34a_200000158897_100000210147 [0,2,0,0,0,0|1,0,0]=3 13045 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 527a_100102712874_100000185807 [0,2,0,0,0,0|1,0,0]=3 13046 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 7a_100000210136_200011215302 [0,2,0,0,0,0|1,0,0]=3 13047 B17R1.754 CCOCCOCCNC(=O)c1ccccc1 7a_200000158897_100011215890 [0,2,0,0,0,0|1,0,0]=3 13048 B17R1.754 CCOCCOCCOC(=O)c1ccccc1 34a_100000210136_100009812718 [0,2,0,0,0,0|0,0,0]=2 13049 B17R1.754 CCOCCOCCOC(=O)c1ccccc1 7a_100000025465_100011215890 [0,2,0,0,0,0|0,0,0]=2 13050 B17R1.754 CCOCCOCCOC(=O)c1ccccc1 7a_100000210136_100000184176 [0,2,0,0,0,0|0,0,0]=2 13051 B17R1.754 CCOCCOCCOC(C)c1ccccc1 34a_100000210240_100000211855 [0,2,0,0,0,0|1,0,1]=4 13052 B17R1.754 CCOCCOCCOC(C)c1ccccc1 7a_100000210240_100000230085 [0,2,0,0,0,0|1,0,1]=4 13053 B17R1.754 CCOCCOCCO[C@H](C)c1ccccc1 34a_100000761318_100011211534 [0,2,0,0,0,0|1,0,1]=4 13054 B17R1.754 CCOCCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011211534 [0,2,0,0,0,0|1,0,1]=4 13055 B17R1.754 CCOCCSCCCC(=O)c1ccccc1 62a_100000210147_100000211006 [0,2,0,0,0,0|1,0,0]=3 13056 B17R1.754 CCOCCSCCCC(=O)c1ccccc1 62a_100000211006_100011215890 [0,2,0,0,0,0|1,0,0]=3 13057 B17R1.754 CCOCCSCCNC(=O)c1ccccc1 62a_100000210147_200011215302 [0,2,0,0,0,0|1,0,0]=3 13058 B17R1.754 CCOCCSCCNC(=O)c1ccccc1 62a_200011215302_100011215890 [0,2,0,0,0,0|1,0,0]=3 13059 B17R1.754 CCOCCSCCOC(=O)c1ccccc1 62a_100000210147_100009812718 [0,2,0,0,0,0|0,0,0]=2 13060 B17R1.754 CCOCCSCCOC(=O)c1ccccc1 62a_100009812718_100011215890 [0,2,0,0,0,0|0,0,0]=2 13061 B17R1.754 CCOCSCCCOC(=O)c1ccccc1 62a_100000739092_200009892979 [0,2,0,0,0,0|0,0,0]=2 13062 B17R1.754 CCOCSCCCOC(=O)c1ccccc1 62a_200009892979_100000739092 [0,2,0,0,0,0|0,0,0]=2 13063 B17R1.754 CCSCCCOCCC(=O)c1ccccc1 7a_100011216438_100000750707 [0,2,0,0,0,0|1,0,0]=3 13064 B17R1.754 CCSCCCOCCS(=O)c1ccccc1 7a_100011216438_100000740319 [0,2,0,0,0,0|2,0,0]=4 13065 B17R1.754 CCSCCCOCOC(=O)c1ccccc1 7a_100011216438_100000073877 [0,2,0,0,0,0|0,0,0]=2 13066 B17R1.754 CCSCCNCCCC(=O)c1ccccc1 2230a_100000106463_100000211006 [0,2,0,0,0,0|1,0,0]=3 13067 B17R1.754 CCSCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000757381 [0,2,0,0,0,0|1,0,0]=3 13068 B17R1.754 CCSCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000757381 [0,2,0,0,0,0|2,0,0]=4 13069 B17R1.754 CCSCCOCCCC(=O)c1ccccc1 7a_100000212035_100000211006 [0,2,0,0,0,0|1,0,0]=3 13070 B17R1.754 CCSCCOCCNC(=O)c1ccccc1 34a_200000158897_100000757381 [0,2,0,0,0,0|1,0,0]=3 13071 B17R1.754 CCSCCOCCNC(=O)c1ccccc1 7a_100000212035_200011215302 [0,2,0,0,0,0|1,0,0]=3 13072 B17R1.754 CCSCCOCCNC(=O)c1ccccc1 7a_200000158897_100000757381 [0,2,0,0,0,0|1,0,0]=3 13073 B17R1.754 CCSCCOCCOC(=O)c1ccccc1 34a_100000212035_100009812718 [0,2,0,0,0,0|0,0,0]=2 13074 B17R1.754 CCSCCOCCOC(=O)c1ccccc1 7a_100000025465_100000757381 [0,2,0,0,0,0|0,0,0]=2 13075 B17R1.754 CCSCCOCCOC(=O)c1ccccc1 7a_100000212035_100000184176 [0,2,0,0,0,0|0,0,0]=2 13076 B17R1.754 CCSCCSCCCC(=O)c1ccccc1 62a_100000211006_100000757381 [0,2,0,0,0,0|1,0,0]=3 13077 B17R1.754 CCSCCSCCCC(=O)c1ccccc1 62a_100000757381_100000211006 [0,2,0,0,0,0|1,0,0]=3 13078 B17R1.754 CCSCCSCCNC(=O)c1ccccc1 62a_100000757381_200011215302 [0,2,0,0,0,0|1,0,0]=3 13079 B17R1.754 CCSCCSCCNC(=O)c1ccccc1 62a_200011215302_100000757381 [0,2,0,0,0,0|1,0,0]=3 13080 B17R1.754 CCSCCSCCOC(=O)c1ccccc1 62a_100000757381_100009812718 [0,2,0,0,0,0|0,0,0]=2 13081 B17R1.754 CCSCCSCCOC(=O)c1ccccc1 62a_100009812718_100000757381 [0,2,0,0,0,0|0,0,0]=2 13082 B17R1.754 CNCCCCCOCC(=O)c1ccccn1 34a_100000722520_100000027445 [0,2,0,0,0,0|1,0,0]=3 13083 B17R1.754 CNCCCCCOCC(C)c1ccccc1 34a_100000722520_100000756946 [0,2,0,0,0,0|1,0,1]=4 13084 B17R1.754 CNCCCCCOCC(O)c1ccccc1 34a_100000722520_100000185958 [0,2,0,0,0,0|0,0,2]=4 13085 B17R1.754 CNCCCCCOC[C@@H](O)c1ccccc1 34a_100000722520_100011933945 [0,2,0,0,0,0|0,0,2]=4 13086 B17R1.754 CNCCCOCCOC(=O)c1ccccc1 34a_100000213112_100009812718 [0,2,0,0,0,0|0,0,0]=2 13087 B17R1.754 CNCCOCCOCC(=O)c1ccccn1 34a_100000228057_100000027445 [0,2,0,0,0,0|2,0,0]=4 13088 B17R1.754 COCCCCCCOC(C)c1ccccc1 34a_200012092642_100000211855 [0,2,0,0,0,0|1,0,1]=4 13089 B17R1.754 COCCCCCCOC(C)c1ccccc1 7a_200012092642_100000230085 [0,2,0,0,0,0|1,0,1]=4 13090 B17R1.754 COCCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100011998445 [0,2,0,0,0,0|1,0,1]=4 13091 B17R1.754 COCCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100011998445 [0,2,0,0,0,0|1,0,1]=4 13092 B17R1.754 COCCCCCNCC(=O)c1ccccn1 34a_100000747528_100000027445 [0,2,0,0,0,0|2,0,0]=4 13093 B17R1.754 COCCCCSCCC(=O)c1ccccc1 62a_100000730899_100000750707 [0,2,0,0,0,0|1,0,0]=3 13094 B17R1.754 COCCCCSCCC(=O)c1ccccc1 62a_100000750707_100000730899 [0,2,0,0,0,0|1,0,0]=3 13095 B17R1.754 COCCCCSCCS(=O)c1ccccc1 62a_100000730899_100000740319 [0,2,0,0,0,0|2,0,0]=4 13096 B17R1.754 COCCCCSCOC(=O)c1ccccc1 62a_100000073877_100000730899 [0,2,0,0,0,0|0,0,0]=2 13097 B17R1.754 COCCCCSCOC(=O)c1ccccc1 62a_100000730899_100000073877 [0,2,0,0,0,0|0,0,0]=2 13098 B17R1.754 COCCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000740836 [0,2,0,0,0,0|1,0,0]=3 13099 B17R1.754 COCCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000740836 [0,2,0,0,0,0|2,0,0]=4 13100 B17R1.754 COCCCNCCOC(=O)c1ccccc1 34a_100150723488_100009812718 [0,2,0,0,0,0|0,0,0]=2 13101 B17R1.754 COCCCOCCNC(=O)c1ccccc1 34a_200000158897_100000740836 [0,2,0,0,0,0|1,0,0]=3 13102 B17R1.754 COCCCOCCNC(=O)c1ccccc1 7a_200000158897_100000740836 [0,2,0,0,0,0|1,0,0]=3 13103 B17R1.754 COCCCOCCOC(=O)c1ccccc1 34a_100000740835_100009812718 [0,2,0,0,0,0|0,0,0]=2 13104 B17R1.754 COCCCOCCOC(=O)c1ccccc1 7a_100000025465_100000740836 [0,2,0,0,0,0|0,0,0]=2 13105 B17R1.754 COCCCSCCCC(=O)c1ccccc1 62a_100000211006_100000709357 [0,2,0,0,0,0|1,0,0]=3 13106 B17R1.754 COCCCSCCCC(=O)c1ccccc1 62a_100000709357_100000211006 [0,2,0,0,0,0|1,0,0]=3 13107 B17R1.754 COCCCSCCNC(=O)c1ccccc1 62a_100000709357_200011215302 [0,2,0,0,0,0|1,0,0]=3 13108 B17R1.754 COCCCSCCNC(=O)c1ccccc1 62a_200011215302_100000709357 [0,2,0,0,0,0|1,0,0]=3 13109 B17R1.754 COCCCSCCOC(=O)c1ccccc1 62a_100000709357_100009812718 [0,2,0,0,0,0|0,0,0]=2 13110 B17R1.754 COCCCSCCOC(=O)c1ccccc1 62a_100009812718_100000709357 [0,2,0,0,0,0|0,0,0]=2 13111 B17R1.754 COCCNCCCOC(C)c1ccccc1 2230a_100000206020_100011201679 [0,2,0,0,0,0|1,0,1]=4 13112 B17R1.754 COCCNCCCOC(C)c1ccccc1 34a_100000206020_100011201679 [0,2,0,0,0,0|1,0,1]=4 13113 B17R1.754 COCCOCCCNC(=O)c1ccccc1 1626a_100000206027_100000185807 [0,2,0,0,0,0|1,0,0]=3 13114 B17R1.754 COCCOCCCNC(=O)c1ccccc1 240690a_100000206027_100000185807 [0,2,0,0,0,0|1,0,0]=3 13115 B17R1.754 COCCOCCCOC(=O)c1ccccc1 34a_100000210237_200009892979 [0,2,0,0,0,0|0,0,0]=2 13116 B17R1.754 COCCOCCCO[C@H](C)c1ccccc1 34a_100000761318_100011216529 [0,2,0,0,0,0|1,0,1]=4 13117 B17R1.754 COCCOCCCO[C@H](C)c1ccccc1 7a_100000761318_100011216529 [0,2,0,0,0,0|1,0,1]=4 13118 B17R1.754 COCCOCCOCC(=O)c1ccccc1 7a_100011215163_100000211460 [0,2,0,0,0,0|1,0,0]=3 13119 B17R1.754 COCCOCCOCC(=O)c1ccccn1 34a_100011215163_100000027445 [0,2,0,0,0,0|2,0,0]=4 13120 B17R1.754 COCCOCCOCC(=O)c1ccccn1 7a_100011215163_100000027445 [0,2,0,0,0,0|2,0,0]=4 13121 B17R1.754 COCCOCCOCC(=O)c1ccncc1 7a_100011215163_100015248511 [0,2,0,0,0,0|2,0,0]=4 13122 B17R1.754 COCCOCCSCC(=O)c1ccccc1 62a_100000211460_100000695917 [0,2,0,0,0,0|1,1,0]=4 13123 B17R1.754 COCCOCCSCC(=O)c1ccccc1 62a_100000695917_100000211460 [0,2,0,0,0,0|1,1,0]=4 13124 B17R1.754 COCCOCSCCC(=O)c1ccccc1 62a_100000231047_100000750707 [0,2,0,0,0,0|2,0,0]=4 13125 B17R1.754 COCCOCSCCC(=O)c1ccccc1 62a_100000750707_100000231047 [0,2,0,0,0,0|2,0,0]=4 13126 B17R1.754 COCCOCSCOC(=O)c1ccccc1 62a_100000073877_100000231047 [0,2,0,0,0,0|1,0,0]=3 13127 B17R1.754 COCCOCSCOC(=O)c1ccccc1 62a_100000231047_100000073877 [0,2,0,0,0,0|1,0,0]=3 13128 B17R1.754 COCCSCCCOC(=O)c1ccccc1 62a_100000233755_200009892979 [0,2,0,0,0,0|0,0,0]=2 13129 B17R1.754 COCCSCCCOC(=O)c1ccccc1 62a_200009892979_100000233755 [0,2,0,0,0,0|0,0,0]=2 13130 B17R1.754 COCCSSCCOC(=O)c1ccccc1 7a_106726395713_200000210301 [0,2,0,0,0,0|1,0,0]=3 13131 B17R1.754 COCSCCCCOC(=O)c1ccccc1 62a_100000039408_100000766300 [0,2,0,0,0,0|0,0,0]=2 13132 B17R1.754 COCSCCCCOC(=O)c1ccccc1 62a_100000766300_100000039408 [0,2,0,0,0,0|0,0,0]=2 13133 B17R1.754 CSCCCCOCCC(=O)c1ccccc1 7a_100011217163_100000750707 [0,2,0,0,0,0|1,0,0]=3 13134 B17R1.754 CSCCCCOCCS(=O)c1ccccc1 7a_100011217163_100000740319 [0,2,0,0,0,0|2,0,0]=4 13135 B17R1.754 CSCCCCOCOC(=O)c1ccccc1 7a_100011217163_100000073877 [0,2,0,0,0,0|0,0,0]=2 13136 B17R1.754 CSCCCNCCCC(=O)c1ccccc1 2230a_100000749238_100000211006 [0,2,0,0,0,0|1,0,0]=3 13137 B17R1.754 CSCCCOCCCC(=O)c1ccccc1 7a_100000690336_100000211006 [0,2,0,0,0,0|1,0,0]=3 13138 B17R1.754 CSCCCOCCNC(=O)c1ccccc1 7a_100000690336_200011215302 [0,2,0,0,0,0|1,0,0]=3 13139 B17R1.754 CSCCCOCCOC(=O)c1ccccc1 34a_100000690336_100009812718 [0,2,0,0,0,0|0,0,0]=2 13140 B17R1.754 CSCCCOCCOC(=O)c1ccccc1 7a_100000690336_100000184176 [0,2,0,0,0,0|0,0,0]=2 13141 B17R1.754 CSCCNCCCOC(C)c1ccccc1 2230a_100000206020_100000751147 [0,2,0,0,0,0|1,0,1]=4 13142 B17R1.754 CSCCNCCCOC(C)c1ccccc1 34a_100000206020_100000212216 [0,2,0,0,0,0|1,0,1]=4 13143 B17R1.754 CSCCOCCCOC(=O)c1ccccc1 34a_100000230434_200009892979 [0,2,0,0,0,0|0,0,0]=2 13144 B17R1.754 CSCCOCCCOC(=O)c1ccccc1 7a_100000230434_200009892979 [0,2,0,0,0,0|0,0,0]=2 13145 B17R1.754 CSCCSCCCOC(=O)c1ccccc1 62a_100000212216_200009892979 [0,2,0,0,0,0|0,0,0]=2 13146 B17R1.754 CSCCSCCCOC(=O)c1ccccc1 62a_200009892979_100000751147 [0,2,0,0,0,0|0,0,0]=2 13147 B17R1.754 CSCSCCCCOC(=O)c1ccccc1 62a_100000039408_100011218213 [0,2,0,0,0,0|0,0,0]=2 13148 B17R1.754 CSCSCCCCOC(=O)c1ccccc1 62a_100011218213_100000039408 [0,2,0,0,0,0|0,0,0]=2 13149 B17R1.754 C[C@@H](OCCCCCCC#N)c1ccccc1 7a_100000761318_100009813337 [0,2,0,0,0,0|1,0,1]=4 13150 B17R1.754 C[C@@H](OCCCCCCCO)c1ccccc1 34a_100000761318_100000760002 [0,2,0,0,0,0|1,0,1]=4 13151 B17R1.754 C[C@@H](OCCCCCCCO)c1ccccc1 7a_100000761318_100000760002 [0,2,0,0,0,0|1,0,1]=4 13152 B17R1.754 N#CCCCCCSCC(=O)c1ccccc1 62a_100000211460_100009813376 [0,2,0,0,0,0|0,1,1]=4 13153 B17R1.754 N#CCCCCCSCC(=O)c1ccccc1 62a_100009813376_100000211460 [0,2,0,0,0,0|0,1,1]=4 13154 B17R1.754 N#CCCCCSCCC(=O)c1ccccc1 62a_100000750707_100000211819 [0,2,0,0,0,0|1,0,1]=4 13155 B17R1.754 N#CCCCCSCCC(=O)c1ccccc1 62a_100011219923_100000750707 [0,2,0,0,0,0|1,0,1]=4 13156 B17R1.754 N#CCCCCSCOC(=O)c1ccccc1 62a_100000073877_100000211819 [0,2,0,0,0,0|0,0,1]=3 13157 B17R1.754 N#CCCCCSCOC(=O)c1ccccc1 62a_100011219923_100000073877 [0,2,0,0,0,0|0,0,1]=3 13158 B17R1.754 N#CCCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000687738 [0,2,0,0,0,0|1,0,1]=4 13159 B17R1.754 N#CCCCOCCNC(=O)c1ccccc1 7a_200000158897_100000687738 [0,2,0,0,0,0|1,0,1]=4 13160 B17R1.754 N#CCCCOCCOC(=O)c1ccccc1 7a_100000025465_100000687738 [0,2,0,0,0,0|0,0,1]=3 13161 B17R1.754 N#CCCCSCCCC(=O)c1ccccc1 62a_100000211006_100000687738 [0,2,0,0,0,0|1,0,1]=4 13162 B17R1.754 N#CCCCSCCCC(=O)c1ccccc1 62a_100000687738_100000211006 [0,2,0,0,0,0|1,0,1]=4 13163 B17R1.754 N#CCCCSCCNC(=O)c1ccccc1 62a_100000687738_200011215302 [0,2,0,0,0,0|1,0,1]=4 13164 B17R1.754 N#CCCCSCCNC(=O)c1ccccc1 62a_200011215302_100000687738 [0,2,0,0,0,0|1,0,1]=4 13165 B17R1.754 N#CCCCSCCOC(=O)c1ccccc1 62a_100000687738_100009812718 [0,2,0,0,0,0|0,0,1]=3 13166 B17R1.754 N#CCCCSCCOC(=O)c1ccccc1 62a_100009812718_100000687738 [0,2,0,0,0,0|0,0,1]=3 13167 B17R1.754 N#CCCSCCCOC(=O)c1ccccc1 62a_100011215226_200009892979 [0,2,0,0,0,0|0,0,1]=3 13168 B17R1.754 N#CCCSCCCOC(=O)c1ccccc1 62a_200009892979_100011215226 [0,2,0,0,0,0|0,0,1]=3 13169 B17R1.754 N#CCOCCSCOC(=O)c1ccccc1 62a_100000073877_200000047693 [0,2,0,0,0,0|1,0,1]=4 13170 B17R1.754 N#CCOCCSCOC(=O)c1ccccc1 62a_200000047693_100000073877 [0,2,0,0,0,0|1,0,1]=4 13171 B17R1.754 N#CCSCCCCOC(=O)c1ccccc1 62a_100000039408_100011215382 [0,2,0,0,0,0|0,0,1]=3 13172 B17R1.754 N#CCSCCCCOC(=O)c1ccccc1 62a_100011215382_100000039408 [0,2,0,0,0,0|0,0,1]=3 13173 B17R1.754 N#CSCCSCCOC(=O)c1ccccc1 62a_100000034367_100009812718 [0,2,0,0,0,0|1,0,1]=4 13174 B17R1.754 N#CSCCSCCOC(=O)c1ccccc1 62a_100009812718_100000034367 [0,2,0,0,0,0|1,0,1]=4 13175 B17R1.754 N#CSCSCCCOC(=O)c1ccccc1 62a_100000211825_200009892979 [0,2,0,0,0,0|1,0,1]=4 13176 B17R1.754 N#CSCSCCCOC(=O)c1ccccc1 62a_200009892979_100000211825 [0,2,0,0,0,0|1,0,1]=4 13177 B17R1.754 NCCCCCCOCC(=O)c1ccccn1 34a_100000686447_100000027445 [0,2,0,0,0,0|1,0,0]=3 13178 B17R1.754 NCCCCCCOCC(O)c1ccccc1 34a_100000686447_100000185958 [0,2,0,0,0,0|0,0,2]=4 13179 B17R1.754 NCCCCCCOC[C@@H](O)c1ccccc1 34a_100000686447_100011933945 [0,2,0,0,0,0|0,0,2]=4 13180 B17R1.754 NCCCCOCCOC(=O)c1ccccc1 34a_100000750430_100009812718 [0,2,0,0,0,0|0,0,0]=2 13181 B17R1.754 NCCCOCCCOC(=O)c1ccccc1 34a_100000182051_200009892979 [0,2,0,0,0,0|0,0,0]=2 13182 B17R1.754 NCCOCCCCOC(=O)c1ccccc1 34a_100000210304_100000039408 [0,2,0,0,0,0|0,0,0]=2 13183 B17R1.754 NOCCOCCCOC(=O)c1ccccc1 34a_100000700252_200009892979 [0,2,0,0,0,0|1,0,0]=3 13184 B17R1.754 N[C@H](COCCCCCCF)c1ccccc1 34a_100000751927_100015922095 [0,2,0,0,0,0|1,0,1]=4 13185 B17R1.754 N[C@H](COCCCCCCO)c1ccccc1 34a_100000751927_100000766143 [0,2,0,0,0,0|1,0,1]=4 13186 B17R1.754 O=C(CCCCCCCCO)c1ccccc1 1458a_100000185807_100000033203 [0,2,0,0,0,0|1,0,0]=3 13187 B17R1.754 O=C(CCCNCCCCO)c1ccccc1 2230a_100000750430_100000211006 [0,2,0,0,0,0|1,0,0]=3 13188 B17R1.754 O=C(CCCOCCCCCl)c1ccccc1 7a_100000210776_100000211006 [0,2,0,0,0,0|1,0,0]=3 13189 B17R1.754 O=C(CCCOCCCCF)c1ccccc1 7a_100011995726_100000211006 [0,2,0,0,0,0|1,0,0]=3 13190 B17R1.754 O=C(CCCSCCCCF)c1ccccc1 62a_100000211006_100000729493 [0,2,0,0,0,0|1,0,0]=3 13191 B17R1.754 O=C(CCCSCCCCF)c1ccccc1 62a_100000729493_100000211006 [0,2,0,0,0,0|1,0,0]=3 13192 B17R1.754 O=C(CCCSCCCCO)c1ccccc1 62a_100000210776_100000211006 [0,2,0,0,0,0|1,0,0]=3 13193 B17R1.754 O=C(CCCSCCCCO)c1ccccc1 62a_100000211006_100000210776 [0,2,0,0,0,0|1,0,0]=3 13194 B17R1.754 O=C(CCNCCCCCO)c1ccccc1 2230a_100000762737_100000750707 [0,2,0,0,0,0|1,0,0]=3 13195 B17R1.754 O=C(CCNCCOCCO)c1ccccc1 2230a_100000211614_100000750707 [0,2,0,0,0,0|2,0,0]=4 13196 B17R1.754 O=C(CCNCCSCCO)c1ccccc1 2230a_100011219999_100000750707 [0,2,0,0,0,0|2,0,0]=4 13197 B17R1.754 O=C(CCOCCCCCBr)c1ccccc1 7a_100000746331_100000750707 [0,2,0,0,0,0|1,0,0]=3 13198 B17R1.754 O=C(CCOCCCCCCl)c1ccccc1 7a_100000746330_100000750707 [0,2,0,0,0,0|1,0,0]=3 13199 B17R1.754 O=C(CCOCCCCCI)c1ccccc1 7a_200012148887_100000750707 [0,2,0,0,0,0|1,0,0]=3 13200 B17R1.754 O=C(CCOCCOCCBr)c1ccccc1 7a_100000692535_100000750707 [0,2,0,0,0,0|2,0,0]=4 13201 B17R1.754 O=C(CCOCCOCCCl)c1ccccc1 7a_100011215305_100000750707 [0,2,0,0,0,0|2,0,0]=4 13202 B17R1.754 O=C(CCOCCOCCF)c1ccccc1 7a_200015357709_100000750707 [0,2,0,0,0,0|2,0,0]=4 13203 B17R1.754 O=C(CCOCCOCCI)c1ccccc1 7a_100012149058_100000750707 [0,2,0,0,0,0|2,0,0]=4 13204 B17R1.754 O=C(CCOCCOCCO)c1ccccc1 1458a_100000185807_100000032323 [0,2,0,0,0,0|2,0,0]=4 13205 B17R1.754 O=C(CCSCCCCCF)c1ccccc1 62a_100000729378_100000750707 [0,2,0,0,0,0|1,0,0]=3 13206 B17R1.754 O=C(CCSCCCCCF)c1ccccc1 62a_100000750707_100000729378 [0,2,0,0,0,0|1,0,0]=3 13207 B17R1.754 O=C(CCSCCCCCO)c1ccccc1 62a_100000746330_100000750707 [0,2,0,0,0,0|1,0,0]=3 13208 B17R1.754 O=C(CCSCCCCCO)c1ccccc1 62a_100000750707_100000746330 [0,2,0,0,0,0|1,0,0]=3 13209 B17R1.754 O=C(CCSCCOCCO)c1ccccc1 62a_100000750707_100011215305 [0,2,0,0,0,0|2,0,0]=4 13210 B17R1.754 O=C(CCSCCOCCO)c1ccccc1 62a_100011215305_100000750707 [0,2,0,0,0,0|2,0,0]=4 13211 B17R1.754 O=C(CNCCCCCCO)c1ccccn1 34a_100000686447_100000027445 [0,2,0,0,0,0|2,0,0]=4 13212 B17R1.754 O=C(COCCCCCCBr)c1ccccc1 7a_100011215345_100000211460 [0,2,0,0,0,0|0,0,0]=2 13213 B17R1.754 O=C(COCCCCCCBr)c1ccccn1 34a_100011215345_100000027445 [0,2,0,0,0,0|1,0,0]=3 13214 B17R1.754 O=C(COCCCCCCBr)c1ccccn1 7a_100011215345_100000027445 [0,2,0,0,0,0|1,0,0]=3 13215 B17R1.754 O=C(COCCCCCCBr)c1ccncc1 7a_100011215345_100015248511 [0,2,0,0,0,0|1,0,0]=3 13216 B17R1.754 O=C(COCCCCCCCl)c1ccccc1 7a_100000766143_100000211460 [0,2,0,0,0,0|0,0,0]=2 13217 B17R1.754 O=C(COCCCCCCCl)c1ccccn1 34a_100000766143_100000027445 [0,2,0,0,0,0|1,0,0]=3 13218 B17R1.754 O=C(COCCCCCCCl)c1ccccn1 7a_100000766143_100000027445 [0,2,0,0,0,0|1,0,0]=3 13219 B17R1.754 O=C(COCCCCCCCl)c1ccncc1 7a_100000766143_100015248511 [0,2,0,0,0,0|1,0,0]=3 13220 B17R1.754 O=C(COCCCCCCF)c1ccccc1 7a_100000732779_100000211460 [0,2,0,0,0,0|0,0,0]=2 13221 B17R1.754 O=C(COCCCCCCF)c1ccccn1 34a_100000732779_100000027445 [0,2,0,0,0,0|1,0,0]=3 13222 B17R1.754 O=C(COCCCCCCF)c1ccccn1 7a_100000732779_100000027445 [0,2,0,0,0,0|1,0,0]=3 13223 B17R1.754 O=C(COCCCCCCF)c1ccncc1 7a_100000732779_100015248511 [0,2,0,0,0,0|1,0,0]=3 13224 B17R1.754 O=C(CSCCCCCCF)c1ccccc1 62a_100000211460_100015922095 [0,2,0,0,0,0|0,1,0]=3 13225 B17R1.754 O=C(CSCCCCCCF)c1ccccc1 62a_100015922095_100000211460 [0,2,0,0,0,0|0,1,0]=3 13226 B17R1.754 O=C(CSCCCCCCF)c1ccccn1 62a_100000027445_100015922095 [0,2,0,0,0,0|1,1,0]=4 13227 B17R1.754 O=C(CSCCCCCCF)c1ccccn1 62a_100015922095_100000027445 [0,2,0,0,0,0|1,1,0]=4 13228 B17R1.754 O=C(CSCCCCCCF)c1cccnc1 62a_100000757877_100015922095 [0,2,0,0,0,0|1,1,0]=4 13229 B17R1.754 O=C(CSCCCCCCF)c1cccnc1 62a_100015922095_100000757877 [0,2,0,0,0,0|1,1,0]=4 13230 B17R1.754 O=C(CSCCCCCCF)c1ccncc1 62a_100000027454_100015922095 [0,2,0,0,0,0|1,1,0]=4 13231 B17R1.754 O=C(CSCCCCCCF)c1ccncc1 62a_100015922095_100000027454 [0,2,0,0,0,0|1,1,0]=4 13232 B17R1.754 O=C(CSCCCCCCO)c1ccccc1 62a_100000211460_100000766143 [0,2,0,0,0,0|0,1,0]=3 13233 B17R1.754 O=C(CSCCCCCCO)c1ccccc1 62a_100000766143_100000211460 [0,2,0,0,0,0|0,1,0]=3 13234 B17R1.754 O=C(CSCCCCCCO)c1ccccn1 62a_100000027445_100000766143 [0,2,0,0,0,0|1,1,0]=4 13235 B17R1.754 O=C(CSCCCCCCO)c1ccccn1 62a_100000766143_100000027445 [0,2,0,0,0,0|1,1,0]=4 13236 B17R1.754 O=C(CSCCCCCCO)c1cccnc1 62a_100000757877_100000766143 [0,2,0,0,0,0|1,1,0]=4 13237 B17R1.754 O=C(CSCCCCCCO)c1cccnc1 62a_100000766143_100000757877 [0,2,0,0,0,0|1,1,0]=4 13238 B17R1.754 O=C(CSCCCCCCO)c1ccncc1 62a_100000027454_100000766143 [0,2,0,0,0,0|1,1,0]=4 13239 B17R1.754 O=C(CSCCCCCCO)c1ccncc1 62a_100000766143_100000027454 [0,2,0,0,0,0|1,1,0]=4 13240 B17R1.754 O=C(NCCCCCCCO)c1ccccc1 240690a_100011996573_100000185807 [0,2,0,0,0,0|1,0,0]=3 13241 B17R1.754 O=C(NCCCOCCCO)c1ccccc1 240690a_100011310245_100000185807 [0,2,0,0,0,0|1,0,0]=3 13242 B17R1.754 O=C(NCCNCCCCF)c1ccccc1 2230a_100000736134_100000729493 [0,2,0,0,0,0|1,0,0]=3 13243 B17R1.754 O=C(NCCNCCCCF)c1ccncc1 2230a_200011198449_100000729493 [0,2,0,0,0,0|2,0,0]=4 13244 B17R1.754 O=C(NCCNCCCCO)c1ccccc1 2230a_100000736134_100000210776 [0,2,0,0,0,0|1,0,0]=3 13245 B17R1.754 O=C(NCCNCCCCO)c1ccncc1 2230a_200011198449_100000210776 [0,2,0,0,0,0|2,0,0]=4 13246 B17R1.754 O=C(NCCOCCCCCl)c1ccccc1 7a_100000210776_200011215302 [0,2,0,0,0,0|1,0,0]=3 13247 B17R1.754 O=C(NCCOCCCCF)c1ccccc1 34a_200000158897_100000729493 [0,2,0,0,0,0|1,0,0]=3 13248 B17R1.754 O=C(NCCOCCCCF)c1ccccc1 7a_100011995726_200011215302 [0,2,0,0,0,0|1,0,0]=3 13249 B17R1.754 O=C(NCCOCCCCF)c1ccccc1 7a_200000158897_100000729493 [0,2,0,0,0,0|1,0,0]=3 13250 B17R1.754 O=C(NCCOCCCCO)c1ccccc1 34a_200000158897_100011216708 [0,2,0,0,0,0|1,0,0]=3 13251 B17R1.754 O=C(NCCOCCCCO)c1ccccc1 7a_200000158897_100000210776 [0,2,0,0,0,0|1,0,0]=3 13252 B17R1.754 O=C(NCCSCCCCF)c1ccccc1 62a_100000729493_200011215302 [0,2,0,0,0,0|1,0,0]=3 13253 B17R1.754 O=C(NCCSCCCCF)c1ccccc1 62a_200011215302_100000729493 [0,2,0,0,0,0|1,0,0]=3 13254 B17R1.754 O=C(NCCSCCCCO)c1ccccc1 62a_100000210776_200011215302 [0,2,0,0,0,0|1,0,0]=3 13255 B17R1.754 O=C(NCCSCCCCO)c1ccccc1 62a_200011215302_100000210776 [0,2,0,0,0,0|1,0,0]=3 13256 B17R1.754 O=C(OCCCCNCCF)c1ccccc1 34a_100000724931_100000039408 [0,2,0,0,0,0|0,0,0]=2 13257 B17R1.754 O=C(OCCCCNCCO)c1ccccc1 34a_100016990907_100000039408 [0,2,0,0,0,0|0,0,0]=2 13258 B17R1.754 O=C(OCCCCOCCBr)c1ccccc1 34a_100000211926_100000039408 [0,2,0,0,0,0|0,0,0]=2 13259 B17R1.754 O=C(OCCCCSCCF)c1ccccc1 62a_100000039408_100011217306 [0,2,0,0,0,0|0,0,0]=2 13260 B17R1.754 O=C(OCCCCSCCF)c1ccccc1 62a_100011217306_100000039408 [0,2,0,0,0,0|0,0,0]=2 13261 B17R1.754 O=C(OCCCCSCCO)c1ccccc1 62a_100000039408_100000211926 [0,2,0,0,0,0|0,0,0]=2 13262 B17R1.754 O=C(OCCCCSCCO)c1ccccc1 62a_100000211926_100000039408 [0,2,0,0,0,0|0,0,0]=2 13263 B17R1.754 O=C(OCCCNCCCF)c1ccccc1 34a_100015189416_200009892979 [0,2,0,0,0,0|0,0,0]=2 13264 B17R1.754 O=C(OCCCOCCCBr)c1ccccc1 34a_100011217188_200009892979 [0,2,0,0,0,0|0,0,0]=2 13265 B17R1.754 O=C(OCCCOCCCCl)c1ccccc1 34a_100000230001_200009892979 [0,2,0,0,0,0|0,0,0]=2 13266 B17R1.754 O=C(OCCCOCCCF)c1ccccc1 34a_100000759539_200009892979 [0,2,0,0,0,0|0,0,0]=2 13267 B17R1.754 O=C(OCCCSCCCF)c1ccccc1 62a_100011934791_200009892979 [0,2,0,0,0,0|0,0,0]=2 13268 B17R1.754 O=C(OCCCSCCCF)c1ccccc1 62a_200009892979_100011934791 [0,2,0,0,0,0|0,0,0]=2 13269 B17R1.754 O=C(OCCCSCCCO)c1ccccc1 62a_100011215043_200009892979 [0,2,0,0,0,0|0,0,0]=2 13270 B17R1.754 O=C(OCCCSCCCO)c1ccccc1 62a_200009892979_100011215043 [0,2,0,0,0,0|0,0,0]=2 13271 B17R1.754 O=C(OCCNCCCCO)c1ccccc1 34a_100000750430_100009812718 [0,2,0,0,0,0|0,0,0]=2 13272 B17R1.754 O=C(OCCOCC#CCCl)c1ccccc1 34a_200000047223_100009812718 [0,2,0,0,0,0|0,0,2]=4 13273 B17R1.754 O=C(OCCOCC#CCO)c1ccccc1 7a_100000025465_200000047223 [0,2,0,0,0,0|0,0,2]=4 13274 B17R1.754 O=C(OCCOCCCCBr)c1ccccc1 34a_100011216708_100009812718 [0,2,0,0,0,0|0,0,0]=2 13275 B17R1.754 O=C(OCCOCCCCCl)c1ccccc1 34a_100000210776_100009812718 [0,2,0,0,0,0|0,0,0]=2 13276 B17R1.754 O=C(OCCOCCCCCl)c1ccccc1 7a_100000210776_100000184176 [0,2,0,0,0,0|0,0,0]=2 13277 B17R1.754 O=C(OCCOCCCCF)c1ccccc1 34a_100011995726_100009812718 [0,2,0,0,0,0|0,0,0]=2 13278 B17R1.754 O=C(OCCOCCCCF)c1ccccc1 7a_100000025465_100000729493 [0,2,0,0,0,0|0,0,0]=2 13279 B17R1.754 O=C(OCCOCCCCF)c1ccccc1 7a_100011995726_100000184176 [0,2,0,0,0,0|0,0,0]=2 13280 B17R1.754 O=C(OCCOCCCCI)c1ccccc1 34a_200012148704_100009812718 [0,2,0,0,0,0|0,0,0]=2 13281 B17R1.754 O=C(OCCOCCCCO)c1ccccc1 7a_100000025465_100000210776 [0,2,0,0,0,0|0,0,0]=2 13282 B17R1.754 O=C(OCCSCC#CCO)c1ccccc1 62a_100009812718_200000047223 [0,2,0,0,0,0|0,0,2]=4 13283 B17R1.754 O=C(OCCSCC#CCO)c1ccccc1 62a_200000047223_100009812718 [0,2,0,0,0,0|0,0,2]=4 13284 B17R1.754 O=C(OCCSCCCCF)c1ccccc1 62a_100000729493_100009812718 [0,2,0,0,0,0|0,0,0]=2 13285 B17R1.754 O=C(OCCSCCCCF)c1ccccc1 62a_100009812718_100000729493 [0,2,0,0,0,0|0,0,0]=2 13286 B17R1.754 O=C(OCCSCCCCO)c1ccccc1 62a_100000210776_100009812718 [0,2,0,0,0,0|0,0,0]=2 13287 B17R1.754 O=C(OCCSCCCCO)c1ccccc1 62a_100009812718_100000210776 [0,2,0,0,0,0|0,0,0]=2 13288 B17R1.754 O=C(OCOCCCCCBr)c1ccccc1 7a_100000746331_100000073877 [0,2,0,0,0,0|0,0,0]=2 13289 B17R1.754 O=C(OCOCCCCCCl)c1ccccc1 7a_100000746330_100000073877 [0,2,0,0,0,0|0,0,0]=2 13290 B17R1.754 O=C(OCOCCCCCI)c1ccccc1 7a_200012148887_100000073877 [0,2,0,0,0,0|0,0,0]=2 13291 B17R1.754 O=C(OCOCCOCCBr)c1ccccc1 7a_100000692535_100000073877 [0,2,0,0,0,0|1,0,0]=3 13292 B17R1.754 O=C(OCOCCOCCCl)c1ccccc1 7a_100011215305_100000073877 [0,2,0,0,0,0|1,0,0]=3 13293 B17R1.754 O=C(OCOCCOCCF)c1ccccc1 7a_200015357709_100000073877 [0,2,0,0,0,0|1,0,0]=3 13294 B17R1.754 O=C(OCOCCOCCI)c1ccccc1 7a_100012149058_100000073877 [0,2,0,0,0,0|1,0,0]=3 13295 B17R1.754 O=C(OCSCCCCCF)c1ccccc1 62a_100000073877_100000729378 [0,2,0,0,0,0|0,0,0]=2 13296 B17R1.754 O=C(OCSCCCCCF)c1ccccc1 62a_100000729378_100000073877 [0,2,0,0,0,0|0,0,0]=2 13297 B17R1.754 O=C(OCSCCCCCO)c1ccccc1 62a_100000073877_100000746330 [0,2,0,0,0,0|0,0,0]=2 13298 B17R1.754 O=C(OCSCCCCCO)c1ccccc1 62a_100000746330_100000073877 [0,2,0,0,0,0|0,0,0]=2 13299 B17R1.754 O=C(OCSCCOCCO)c1ccccc1 62a_100000073877_100011215305 [0,2,0,0,0,0|1,0,0]=3 13300 B17R1.754 O=C(OCSCCOCCO)c1ccccc1 62a_100011215305_100000073877 [0,2,0,0,0,0|1,0,0]=3 13301 B17R1.754 O=CCCCCCSCC(=O)c1ccccc1 62a_100000139337_100000211460 [0,2,0,0,0,0|0,1,1]=4 13302 B17R1.754 O=CCCCCCSCC(=O)c1ccccc1 62a_100000211460_100000139337 [0,2,0,0,0,0|0,1,1]=4 13303 B17R1.754 O=CCCCCSCCC(=O)c1ccccc1 62a_100000139335_100000750707 [0,2,0,0,0,0|1,0,1]=4 13304 B17R1.754 O=CCCCCSCCC(=O)c1ccccc1 62a_100000750707_100000139335 [0,2,0,0,0,0|1,0,1]=4 13305 B17R1.754 O=CCCCCSCOC(=O)c1ccccc1 62a_100000073877_100000139335 [0,2,0,0,0,0|0,0,1]=3 13306 B17R1.754 O=CCCCCSCOC(=O)c1ccccc1 62a_100000139335_100000073877 [0,2,0,0,0,0|0,0,1]=3 13307 B17R1.754 O=CCCCNCCNC(=O)c1ccccc1 2230a_100000736134_200011292268 [0,2,0,0,0,0|1,0,1]=4 13308 B17R1.754 O=CCCCOCCNC(=O)c1ccccc1 7a_200000158897_200011292268 [0,2,0,0,0,0|1,0,1]=4 13309 B17R1.754 O=CCCCOCCOC(=O)c1ccccc1 7a_100000025465_200011292268 [0,2,0,0,0,0|0,0,1]=3 13310 B17R1.754 O=CCCCSCCCC(=O)c1ccccc1 62a_100000211006_200011292268 [0,2,0,0,0,0|1,0,1]=4 13311 B17R1.754 O=CCCCSCCCC(=O)c1ccccc1 62a_200011292268_100000211006 [0,2,0,0,0,0|1,0,1]=4 13312 B17R1.754 O=CCCCSCCNC(=O)c1ccccc1 62a_200011215302_200011292268 [0,2,0,0,0,0|1,0,1]=4 13313 B17R1.754 O=CCCCSCCNC(=O)c1ccccc1 62a_200011292268_200011215302 [0,2,0,0,0,0|1,0,1]=4 13314 B17R1.754 O=CCCCSCCOC(=O)c1ccccc1 62a_100009812718_200011292268 [0,2,0,0,0,0|0,0,1]=3 13315 B17R1.754 O=CCCCSCCOC(=O)c1ccccc1 62a_200011292268_100009812718 [0,2,0,0,0,0|0,0,1]=3 13316 B17R1.754 O=CCSCCCCOC(=O)c1ccccc1 62a_100000039408_200015260668 [0,2,0,0,0,0|0,0,1]=3 13317 B17R1.754 O=CCSCCCCOC(=O)c1ccccc1 62a_200015260668_100000039408 [0,2,0,0,0,0|0,0,1]=3 13318 B17R1.754 O=S(CCNCCCCCO)c1ccccc1 2230a_100000762737_100000740319 [0,2,0,0,0,0|2,0,0]=4 13319 B17R1.754 O=S(CCOCCCCCBr)c1ccccc1 7a_100000746331_100000740319 [0,2,0,0,0,0|2,0,0]=4 13320 B17R1.754 O=S(CCOCCCCCCl)c1ccccc1 7a_100000746330_100000740319 [0,2,0,0,0,0|2,0,0]=4 13321 B17R1.754 O=S(CCOCCCCCI)c1ccccc1 7a_200012148887_100000740319 [0,2,0,0,0,0|2,0,0]=4 13322 B17R1.754 O=S(CCSCCCCCF)c1ccccc1 62a_100000729378_100000740319 [0,2,0,0,0,0|2,0,0]=4 13323 B17R1.754 O=S(CCSCCCCCO)c1ccccc1 62a_100000746330_100000740319 [0,2,0,0,0,0|2,0,0]=4 13324 B17R1.754 O=S(CSCCCCCCF)c1ccccc1 62a_100015922095_100000031784 [0,2,0,0,0,0|1,1,0]=4 13325 B17R1.754 O=S(CSCCCCCCO)c1ccccc1 62a_100000766143_100000031784 [0,2,0,0,0,0|1,1,0]=4 13326 B17R1.754 OC(COCCCCCCBr)c1ccccc1 34a_100011215345_100000185958 [0,2,0,0,0,0|0,0,2]=4 13327 B17R1.754 OC(COCCCCCCBr)c1ccccc1 7a_100011215345_100000185958 [0,2,0,0,0,0|0,0,2]=4 13328 B17R1.754 OC(COCCCCCCCl)c1ccccc1 34a_100000766143_100000185958 [0,2,0,0,0,0|0,0,2]=4 13329 B17R1.754 OC(COCCCCCCCl)c1ccccc1 7a_100000766143_100000185958 [0,2,0,0,0,0|0,0,2]=4 13330 B17R1.754 OC(COCCCCCCF)c1ccccc1 34a_100000732779_100000185958 [0,2,0,0,0,0|0,0,2]=4 13331 B17R1.754 OC(COCCCCCCF)c1ccccc1 7a_100000732779_100000185958 [0,2,0,0,0,0|0,0,2]=4 13332 B17R1.754 O[C@H](COCCCCCCBr)c1ccccc1 34a_100011215345_100011933945 [0,2,0,0,0,0|0,0,2]=4 13333 B17R1.754 O[C@H](COCCCCCCBr)c1ccccc1 7a_100011215345_100011933945 [0,2,0,0,0,0|0,0,2]=4 13334 B17R1.754 O[C@H](COCCCCCCCl)c1ccccc1 34a_100000766143_100011933945 [0,2,0,0,0,0|0,0,2]=4 13335 B17R1.754 O[C@H](COCCCCCCCl)c1ccccc1 7a_100000766143_100011933945 [0,2,0,0,0,0|0,0,2]=4 13336 B17R1.754 O[C@H](COCCCCCCF)c1ccccc1 34a_100000732779_100011933945 [0,2,0,0,0,0|0,0,2]=4 13337 B17R1.754 O[C@H](COCCCCCCF)c1ccccc1 7a_100000732779_100011933945 [0,2,0,0,0,0|0,0,2]=4 13338 B17R1.754 [13CH3]OCCSSCCOC(=O)c1ccccc1 7a_106726395713_200025704644 [0,2,0,0,0,0|1,0,0]=3 13339 B17R1.956 C#CCC(=O)CCCOC(=O)c1ccccc1 1458a_100011220946_200009892979 [0,2,0,0,0,0|0,0,2]=4 13340 B17R1.956 C#CCC(C)OCCOC(=O)c1ccccc1 34a_100000685586_100009812718 [0,2,0,0,0,0|0,0,2]=4 13341 B17R1.956 C#CCC(C)OCCOC(=O)c1ccccc1 7a_100000685586_100000184176 [0,2,0,0,0,0|0,0,2]=4 13342 B17R1.956 C#CCN(C)CCCOC(=O)c1ccccc1 34a_100000225692_200009892979 [0,2,0,0,0,0|0,0,2]=4 13343 B17R1.956 C/C=C/C(C)OCCOC(=O)c1ccccc1 34a_200102604097_100009812718 [0,2,0,0,0,0|0,0,2]=4 13344 B17R1.956 C=CCC(=O)CCCOC(=O)c1ccccc1 1458a_100000210193_200009892979 [0,2,0,0,0,0|0,0,2]=4 13345 B17R1.956 C=CCC(C)COCOC(=O)c1ccccc1 7a_100009832082_100000073877 [0,2,0,0,0,0|0,0,2]=4 13346 B17R1.956 C=CCN(C)CCCOC(=O)c1ccccc1 269982a_100000225617_200009892979 [0,2,0,0,0,0|0,0,2]=4 13347 B17R1.956 C=CC[C@@H](C)OCCOC(=O)c1ccccc1 34a_100000731007_100009812718 [0,2,0,0,0,0|0,0,2]=4 13348 B17R1.956 C=CC[C@@H](C)OCCOC(=O)c1ccccc1 7a_100000731007_100000184176 [0,2,0,0,0,0|0,0,2]=4 13349 B17R1.956 CC#CC(=O)CCCOC(=O)c1ccccc1 1458a_100000763181_200009892979 [0,2,0,0,0,0|0,0,2]=4 13350 B17R1.956 CC#CC(C)OCCOC(=O)c1ccccc1 34a_100011216543_100009812718 [0,2,0,0,0,0|0,0,2]=4 13351 B17R1.956 CC(CC#N)OCCOC(=O)c1ccccc1 7a_100000025465_100009813641 [0,2,0,0,0,0|1,0,1]=4 13352 B17R1.956 CC(CC#N)SCCOC(=O)c1ccccc1 62a_100009812718_100009813641 [0,2,0,0,0,0|1,0,1]=4 13353 B17R1.956 CC(CC#N)SCCOC(=O)c1ccccc1 62a_100009813641_100009812718 [0,2,0,0,0,0|1,0,1]=4 13354 B17R1.956 CC(CCBr)OCCOC(=O)c1ccccc1 34a_100012276601_100009812718 [0,2,0,0,0,0|1,0,0]=3 13355 B17R1.956 CC(CCO)NCCNC(=O)c1ccccc1 2230a_100000736134_100009893172 [0,2,0,0,0,0|2,0,0]=4 13356 B17R1.956 CC(CCO)OCCNC(=O)c1ccccc1 34a_200000158897_100009893172 [0,2,0,0,0,0|2,0,0]=4 13357 B17R1.956 CC(CCO)OCCNC(=O)c1ccccc1 7a_200000158897_100009893172 [0,2,0,0,0,0|2,0,0]=4 13358 B17R1.956 CC(CCO)OCCOC(=O)c1ccccc1 7a_100000025465_100009893172 [0,2,0,0,0,0|1,0,0]=3 13359 B17R1.956 CC(CCO)SCCCC(=O)c1ccccc1 62a_100000211006_100009893172 [0,2,0,0,0,0|2,0,0]=4 13360 B17R1.956 CC(CCO)SCCCC(=O)c1ccccc1 62a_100009893172_100000211006 [0,2,0,0,0,0|2,0,0]=4 13361 B17R1.956 CC(CCO)SCCNC(=O)c1ccccc1 62a_100009893172_200011215302 [0,2,0,0,0,0|2,0,0]=4 13362 B17R1.956 CC(CCO)SCCNC(=O)c1ccccc1 62a_200011215302_100009893172 [0,2,0,0,0,0|2,0,0]=4 13363 B17R1.956 CC(CCO)SCCOC(=O)c1ccccc1 62a_100009812718_100009893172 [0,2,0,0,0,0|1,0,0]=3 13364 B17R1.956 CC(CCO)SCCOC(=O)c1ccccc1 62a_100009893172_100009812718 [0,2,0,0,0,0|1,0,0]=3 13365 B17R1.956 CC=CC(=O)CCCOC(=O)c1ccccc1 1458a_100000210699_200009892979 [0,2,0,0,0,0|0,0,2]=4 13366 B17R1.956 CCCC(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_100000210303 [0,2,0,0,0,0|1,0,0]=3 13367 B17R1.956 CCCC(=O)CCCNC(=O)c1cccnc1 1458a_100000690978_100000210303 [0,2,0,0,0,0|2,0,0]=4 13368 B17R1.956 CCCC(=O)CCCOC(=O)c1ccccc1 1458a_100000211992_200009892979 [0,2,0,0,0,0|0,0,0]=2 13369 B17R1.956 CCCC(=O)CSCCC(=O)c1ccccc1 62a_100000747444_100000750707 [0,2,0,0,0,0|1,0,1]=4 13370 B17R1.956 CCCC(=O)CSCCC(=O)c1ccccc1 62a_100000750707_100000747444 [0,2,0,0,0,0|1,0,1]=4 13371 B17R1.956 CCCC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000747444 [0,2,0,0,0,0|0,0,1]=3 13372 B17R1.956 CCCC(=O)CSCOC(=O)c1ccccc1 62a_100000747444_100000073877 [0,2,0,0,0,0|0,0,1]=3 13373 B17R1.956 CCCC(=O)NCCNC(=O)c1ccccc1 11a_100000736134_100000211992 [0,2,0,0,0,0|1,0,1]=4 13374 B17R1.956 CCCC(=O)NCCNC(=O)c1ccccc1 1626a_100000736134_100000211992 [0,2,0,0,0,0|1,0,1]=4 13375 B17R1.956 CCCC(=O)NCCNC(=O)c1ccccc1 240690a_100000736134_100000211992 [0,2,0,0,0,0|1,0,1]=4 13376 B17R1.956 CCCC(=O)NCCNC(=O)c1ccccc1 527a_100000736134_100000211992 [0,2,0,0,0,0|1,0,1]=4 13377 B17R1.956 CCCC(C)CCCOC(C)c1ccccc1 34a_100011713154_100000211855 [0,2,0,0,0,0|1,0,1]=4 13378 B17R1.956 CCCC(C)CCCOC(C)c1ccccc1 7a_100011713154_100000230085 [0,2,0,0,0,0|1,0,1]=4 13379 B17R1.956 CCCC(C)CCOCC(=O)c1ccccc1 7a_100011217855_100000211460 [0,2,0,0,0,0|0,0,0]=2 13380 B17R1.956 CCCC(C)CCOCC(=O)c1ccccn1 34a_100011217855_100000027445 [0,2,0,0,0,0|1,0,0]=3 13381 B17R1.956 CCCC(C)CCOCC(=O)c1ccccn1 7a_100011217855_100000027445 [0,2,0,0,0,0|1,0,0]=3 13382 B17R1.956 CCCC(C)CCOCC(=O)c1ccncc1 7a_100011217855_100015248511 [0,2,0,0,0,0|1,0,0]=3 13383 B17R1.956 CCCC(C)CCOCC(C)c1ccccc1 34a_100011217855_100000756946 [0,2,0,0,0,0|1,0,1]=4 13384 B17R1.956 CCCC(C)CCOCC(C)c1ccccc1 7a_100011217855_100000756946 [0,2,0,0,0,0|1,0,1]=4 13385 B17R1.956 CCCC(C)CCOCC(O)c1ccccc1 34a_100011217855_100000185958 [0,2,0,0,0,0|0,0,2]=4 13386 B17R1.956 CCCC(C)CCOCC(O)c1ccccc1 7a_100011217855_100000185958 [0,2,0,0,0,0|0,0,2]=4 13387 B17R1.956 CCCC(C)CCOC[C@@H](O)c1ccccc1 34a_100011217855_100011933945 [0,2,0,0,0,0|0,0,2]=4 13388 B17R1.956 CCCC(C)CCOC[C@@H](O)c1ccccc1 7a_100011217855_100011933945 [0,2,0,0,0,0|0,0,2]=4 13389 B17R1.956 CCCC(C)COCCC(=O)c1ccccc1 7a_100000688023_100000750707 [0,2,0,0,0,0|1,0,0]=3 13390 B17R1.956 CCCC(C)COCCS(=O)c1ccccc1 7a_100000688023_100000740319 [0,2,0,0,0,0|2,0,0]=4 13391 B17R1.956 CCCC(C)COCOC(=O)c1ccccc1 7a_100000688023_100000073877 [0,2,0,0,0,0|0,0,0]=2 13392 B17R1.956 CCCC(C)CSCCC(=O)c1ccccc1 62a_100000750707_100011216630 [0,2,0,0,0,0|1,0,0]=3 13393 B17R1.956 CCCC(C)CSCCC(=O)c1ccccc1 62a_100011216630_100000750707 [0,2,0,0,0,0|1,0,0]=3 13394 B17R1.956 CCCC(C)CSCCS(=O)c1ccccc1 62a_100011216630_100000740319 [0,2,0,0,0,0|2,0,0]=4 13395 B17R1.956 CCCC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100011216630 [0,2,0,0,0,0|0,0,0]=2 13396 B17R1.956 CCCC(C)CSCOC(=O)c1ccccc1 62a_100011216630_100000073877 [0,2,0,0,0,0|0,0,0]=2 13397 B17R1.956 CCCC(C)NCCCC(=O)c1ccccc1 2230a_100000741246_100000211006 [0,2,0,0,0,0|1,0,0]=3 13398 B17R1.956 CCCC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000766640 [0,2,0,0,0,0|1,0,0]=3 13399 B17R1.956 CCCC(C)NCCNC(=O)c1ccccc1 270004a_100000736134_100000211909 [0,2,0,0,0,0|1,0,0]=3 13400 B17R1.956 CCCC(C)NCCNC(=O)c1ccncc1 2230a_200011198449_100000766640 [0,2,0,0,0,0|2,0,0]=4 13401 B17R1.956 CCCC(C)NCCNC(=O)c1ccncc1 270004a_200011198449_100000211909 [0,2,0,0,0,0|2,0,0]=4 13402 B17R1.956 CCCC(C)OCCCC(=O)c1ccccc1 7a_100000764384_100000211006 [0,2,0,0,0,0|1,0,0]=3 13403 B17R1.956 CCCC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100000766640 [0,2,0,0,0,0|1,0,0]=3 13404 B17R1.956 CCCC(C)OCCNC(=O)c1ccccc1 7a_100000764384_200011215302 [0,2,0,0,0,0|1,0,0]=3 13405 B17R1.956 CCCC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000766640 [0,2,0,0,0,0|1,0,0]=3 13406 B17R1.956 CCCC(C)OCCOC(=O)c1ccccc1 34a_100000764384_100009812718 [0,2,0,0,0,0|0,0,0]=2 13407 B17R1.956 CCCC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000766640 [0,2,0,0,0,0|0,0,0]=2 13408 B17R1.956 CCCC(C)OCCOC(=O)c1ccccc1 7a_100000764384_100000184176 [0,2,0,0,0,0|0,0,0]=2 13409 B17R1.956 CCCC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000766640 [0,2,0,0,0,0|1,0,0]=3 13410 B17R1.956 CCCC(C)SCCCC(=O)c1ccccc1 62a_100000766640_100000211006 [0,2,0,0,0,0|1,0,0]=3 13411 B17R1.956 CCCC(C)SCCNC(=O)c1ccccc1 62a_100000766640_200011215302 [0,2,0,0,0,0|1,0,0]=3 13412 B17R1.956 CCCC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000766640 [0,2,0,0,0,0|1,0,0]=3 13413 B17R1.956 CCCC(C)SCCOC(=O)c1ccccc1 62a_100000766640_100009812718 [0,2,0,0,0,0|0,0,0]=2 13414 B17R1.956 CCCC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000766640 [0,2,0,0,0,0|0,0,0]=2 13415 B17R1.956 CCCN(C)CCCOC(=O)c1ccccc1 269982a_100000747261_200009892979 [0,2,0,0,0,0|0,0,0]=2 13416 B17R1.956 CCC[C@H](N)CCOCC(=O)c1ccccn1 34a_100015193777_100000027445 [0,2,0,0,0,0|1,0,0]=3 13417 B17R1.956 CCC[C@H](N)CCOCC(C)c1ccccc1 34a_100015193777_100000756946 [0,2,0,0,0,0|1,0,1]=4 13418 B17R1.956 CCC[C@H](N)CCOCC(O)c1ccccc1 34a_100015193777_100000185958 [0,2,0,0,0,0|0,0,2]=4 13419 B17R1.956 CCC[C@H](N)CCOC[C@@H](O)c1ccccc1 34a_100015193777_100011933945 [0,2,0,0,0,0|0,0,2]=4 13420 B17R1.956 CCNC(=O)CCCNC(=O)c1ccccc1 11a_100015525214_100000194758 [0,2,0,0,0,0|1,0,1]=4 13421 B17R1.956 CCNC(=O)CCCNC(=O)c1ccccc1 240690a_100015525214_100000194758 [0,2,0,0,0,0|1,0,1]=4 13422 B17R1.956 CCNC(=O)CCCNC(=O)c1ccccc1 527a_100015525214_100000194758 [0,2,0,0,0,0|1,0,1]=4 13423 B17R1.956 CCNC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000183381 [0,2,0,0,0,0|1,0,1]=4 13424 B17R1.956 CCNC(=O)CSCOC(=O)c1ccccc1 62a_100000183381_100000073877 [0,2,0,0,0,0|1,0,1]=4 13425 B17R1.956 CCOC(=O)CCCCC(=O)c1ccccc1 1458a_100000185807_100000750268 [0,2,0,0,0,0|1,0,1]=4 13426 B17R1.956 CCOC(=O)CCCNC(=O)c1ccccc1 188690a_100000211256_100000185807 [0,2,0,0,0,0|1,0,1]=4 13427 B17R1.956 CCOC(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000188475 [0,2,0,0,0,0|1,0,1]=4 13428 B17R1.956 CCOC(=O)CSCOC(=O)c1ccccc1 62a_100000188475_100000073877 [0,2,0,0,0,0|1,0,1]=4 13429 B17R1.956 CN(CCO)CCCOC(=O)c1ccccc1 269982a_100000210263_200009892979 [0,2,0,0,0,0|1,0,0]=3 13430 B17R1.956 COCC(=O)CCCOC(=O)c1ccccc1 1458a_100000210968_200009892979 [0,2,0,0,0,0|0,0,1]=3 13431 B17R1.956 COCC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000765312 [0,2,0,0,0,0|2,0,0]=4 13432 B17R1.956 COCC(C)NCCNC(=O)c1ccccc1 270004a_100000736134_100000749346 [0,2,0,0,0,0|2,0,0]=4 13433 B17R1.956 COCC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100000765312 [0,2,0,0,0,0|2,0,0]=4 13434 B17R1.956 COCC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000765312 [0,2,0,0,0,0|2,0,0]=4 13435 B17R1.956 COCC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000765312 [0,2,0,0,0,0|1,0,0]=3 13436 B17R1.956 COCC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000765312 [0,2,0,0,0,0|2,0,0]=4 13437 B17R1.956 COCC(C)SCCCC(=O)c1ccccc1 62a_100000765312_100000211006 [0,2,0,0,0,0|2,0,0]=4 13438 B17R1.956 COCC(C)SCCNC(=O)c1ccccc1 62a_100000765312_200011215302 [0,2,0,0,0,0|2,0,0]=4 13439 B17R1.956 COCC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000765312 [0,2,0,0,0,0|2,0,0]=4 13440 B17R1.956 COCC(C)SCCOC(=O)c1ccccc1 62a_100000765312_100009812718 [0,2,0,0,0,0|1,0,0]=3 13441 B17R1.956 COCC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000765312 [0,2,0,0,0,0|1,0,0]=3 13442 B17R1.956 COCC(O)CNCCC(=O)c1ccccc1 2230a_100000756049_100000750707 [0,2,0,0,0,0|2,0,0]=4 13443 B17R1.956 COCC(O)CSCCC(=O)c1ccccc1 62a_100000750707_100011215053 [0,2,0,0,0,0|2,0,0]=4 13444 B17R1.956 COCC(O)CSCCC(=O)c1ccccc1 62a_100011215053_100000750707 [0,2,0,0,0,0|2,0,0]=4 13445 B17R1.956 COCC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011215053 [0,2,0,0,0,0|1,0,0]=3 13446 B17R1.956 COCC(O)CSCOC(=O)c1ccccc1 62a_100011215053_100000073877 [0,2,0,0,0,0|1,0,0]=3 13447 B17R1.956 COC[C@@H](C)NCCCC(=O)c1ccccc1 2230a_100000764878_100000211006 [0,2,0,0,0,0|2,0,0]=4 13448 B17R1.956 COC[C@@H](C)OCCOC(=O)c1ccccc1 34a_100011934205_100009812718 [0,2,0,0,0,0|1,0,0]=3 13449 B17R1.956 CSCC(=O)CCCOC(=O)c1ccccc1 1458a_100000184570_200009892979 [0,2,0,0,0,0|0,0,1]=3 13450 B17R1.956 CSCC(C)NCCNC(=O)c1ccccc1 270004a_100000736134_100011216314 [0,2,0,0,0,0|2,0,0]=4 13451 B17R1.956 C[C@H](CCO)NCCCC(=O)c1ccccc1 2230a_100000706166_100000211006 [0,2,0,0,0,0|2,0,0]=4 13452 B17R1.956 C[C@H](CCO)NCCOC(=O)c1ccccc1 34a_100000706166_100009812718 [0,2,0,0,0,0|1,0,0]=3 13453 B17R1.956 N#CCC(=O)CCCOC(=O)c1ccccc1 1458a_100051588842_200009892979 [0,2,0,0,0,0|0,0,2]=4 13454 B17R1.956 N#CC[C@H](O)CSCOC(=O)c1ccccc1 62a_100000001066_100000073877 [0,2,0,0,0,0|1,0,1]=4 13455 B17R1.956 N#CC[C@H](O)CSCOC(=O)c1ccccc1 62a_100000073877_100000001066 [0,2,0,0,0,0|1,0,1]=4 13456 B17R1.956 O=C(CCF)CCCNC(=O)c1ccccc1 1458a_100000194758_100011217306 [0,2,0,0,0,0|1,0,1]=4 13457 B17R1.956 O=C(CCO)CCCNC(=O)c1ccccc1 1458a_100000194758_100000211926 [0,2,0,0,0,0|1,0,1]=4 13458 B17R1.956 O=C(CCO)CCCOC(=O)c1ccccc1 1458a_100011216618_200009892979 [0,2,0,0,0,0|0,0,1]=3 13459 B17R1.1224 C#CC(=O)CCCCOC(=O)c1ccccc1 1458a_100000211873_100000039408 [0,2,0,0,0,0|0,0,2]=4 13460 B17R1.1224 C#CC(C)NCCCOC(=O)c1ccccc1 34a_100000707721_200009892979 [0,2,0,0,0,0|1,0,0]=3 13461 B17R1.1224 C#CC(C)SCCCOC(=O)c1ccccc1 62a_200000035995_200009892979 [0,2,0,0,0,0|1,0,0]=3 13462 B17R1.1224 C#CC(O)CCCCCC(=O)c1ccccc1 1458a_100000185807_200010408556 [0,2,0,0,0,0|1,0,1]=4 13463 B17R1.1224 C#C[C@@H](C)OCCCOC(=O)c1ccccc1 34a_100009815206_200009892979 [0,2,0,0,0,0|1,0,0]=3 13464 B17R1.1224 C#C[C@@H](C)OCCCOC(=O)c1ccccc1 7a_100009815206_200009892979 [0,2,0,0,0,0|1,0,0]=3 13465 B17R1.1224 C=CC(=O)CCCCOC(=O)c1ccccc1 1458a_100000185746_100000039408 [0,2,0,0,0,0|0,0,2]=4 13466 B17R1.1224 C=CC(C)COCCCC(=O)c1ccccc1 7a_100011215527_100000211006 [0,2,0,0,0,0|2,0,0]=4 13467 B17R1.1224 C=CC(C)COCCNC(=O)c1ccccc1 7a_100011215527_200011215302 [0,2,0,0,0,0|2,0,0]=4 13468 B17R1.1224 C=CC(C)COCCOC(=O)c1ccccc1 34a_100011215527_100009812718 [0,2,0,0,0,0|1,0,0]=3 13469 B17R1.1224 C=CC(C)COCCOC(=O)c1ccccc1 7a_100011215527_100000184176 [0,2,0,0,0,0|1,0,0]=3 13470 B17R1.1224 C=CC(C)OCCCOC(=O)c1ccccc1 34a_100000695699_200009892979 [0,2,0,0,0,0|1,0,0]=3 13471 B17R1.1224 C=CC(C)SCCCOC(=O)c1ccccc1 62a_100011215867_200009892979 [0,2,0,0,0,0|1,0,0]=3 13472 B17R1.1224 C=CC(O)COCCOC(=O)c1ccccc1 7a_100000025465_100000730141 [0,2,0,0,0,0|0,0,2]=4 13473 B17R1.1224 C=CC(O)CSCCOC(=O)c1ccccc1 62a_100000730141_100009812718 [0,2,0,0,0,0|0,0,2]=4 13474 B17R1.1224 C=CC(O)CSCCOC(=O)c1ccccc1 62a_100009812718_100000730141 [0,2,0,0,0,0|0,0,2]=4 13475 B17R1.1224 C=C[C@H](N)COCCOC(=O)c1ccccc1 34a_100016989147_100009812718 [0,2,0,0,0,0|0,0,2]=4 13476 B17R1.1224 CC(C#N)OCCCOC(=O)c1ccccc1 34a_100011218135_200009892979 [0,2,0,0,0,0|1,0,0]=3 13477 B17R1.1224 CC(C#N)SCCCOC(=O)c1ccccc1 62a_100000703298_200009892979 [0,2,0,0,0,0|1,0,0]=3 13478 B17R1.1224 CC(C#N)SCCCOC(=O)c1ccccc1 62a_200009892979_100000703298 [0,2,0,0,0,0|1,0,0]=3 13479 B17R1.1224 CC(CF)OCCCOC(=O)c1ccccc1 34a_100016041109_200009892979 [0,2,0,0,0,0|1,0,0]=3 13480 B17R1.1224 CC(CF)OCCCOC(=O)c1ccccc1 7a_100016041109_200009892979 [0,2,0,0,0,0|1,0,0]=3 13481 B17R1.1224 CC(CN)COCCOC(=O)c1ccccc1 34a_100000744482_100009812718 [0,2,0,0,0,0|1,0,0]=3 13482 B17R1.1224 CC(CN)OCCCOC(=O)c1ccccc1 34a_100000210904_200009892979 [0,2,0,0,0,0|1,0,0]=3 13483 B17R1.1224 CC(CO)CCNCCC(=O)c1ccccc1 2230a_106354213184_100000750707 [0,2,0,0,0,0|2,0,0]=4 13484 B17R1.1224 CC(CO)CNCCOC(=O)c1ccccc1 34a_100000744482_100009812718 [0,2,0,0,0,0|1,0,0]=3 13485 B17R1.1224 CC(CO)SCCCOC(=O)c1ccccc1 62a_100012180447_200009892979 [0,2,0,0,0,0|1,0,0]=3 13486 B17R1.1224 CCC(=O)CCCCNC(=O)c1ccccc1 1458a_100000689376_100000210202 [0,2,0,0,0,0|1,0,0]=3 13487 B17R1.1224 CCC(=O)CCCCOC(=O)c1ccccc1 1458a_100000210414_100000039408 [0,2,0,0,0,0|0,0,0]=2 13488 B17R1.1224 CCC(=O)COCCNC(=O)c1ccccc1 7a_200000158897_100000747405 [0,2,0,0,0,0|1,0,1]=4 13489 B17R1.1224 CCC(=O)COCCOC(=O)c1ccccc1 34a_100000725409_100009812718 [0,2,0,0,0,0|0,0,1]=3 13490 B17R1.1224 CCC(=O)COCCOC(=O)c1ccccc1 7a_100000025465_100000747405 [0,2,0,0,0,0|0,0,1]=3 13491 B17R1.1224 CCC(=O)CSCCCC(=O)c1ccccc1 62a_100000211006_100000747405 [0,2,0,0,0,0|1,0,1]=4 13492 B17R1.1224 CCC(=O)CSCCCC(=O)c1ccccc1 62a_100000747405_100000211006 [0,2,0,0,0,0|1,0,1]=4 13493 B17R1.1224 CCC(=O)CSCCNC(=O)c1ccccc1 62a_100000747405_200011215302 [0,2,0,0,0,0|1,0,1]=4 13494 B17R1.1224 CCC(=O)CSCCNC(=O)c1ccccc1 62a_200011215302_100000747405 [0,2,0,0,0,0|1,0,1]=4 13495 B17R1.1224 CCC(=O)CSCCOC(=O)c1ccccc1 62a_100000747405_100009812718 [0,2,0,0,0,0|0,0,1]=3 13496 B17R1.1224 CCC(=O)CSCCOC(=O)c1ccccc1 62a_100009812718_100000747405 [0,2,0,0,0,0|0,0,1]=3 13497 B17R1.1224 CCC(=O)NCCOCC(=O)c1ccccc1 7a_200000158885_100000211460 [0,2,0,0,0,0|1,0,1]=4 13498 B17R1.1224 CCC(=O)OCCOCC(=O)c1ccccc1 7a_200000031056_100000211460 [0,2,0,0,0,0|1,0,1]=4 13499 B17R1.1224 CCC(C)CCCOCC(=O)c1ccccc1 7a_100011216074_100000211460 [0,2,0,0,0,0|0,0,0]=2 13500 B17R1.1224 CCC(C)CCCOCC(=O)c1ccccn1 7a_100011216074_100000027445 [0,2,0,0,0,0|1,0,0]=3 13501 B17R1.1224 CCC(C)CCCOCC(=O)c1ccncc1 7a_100011216074_100015248511 [0,2,0,0,0,0|1,0,0]=3 13502 B17R1.1224 CCC(C)CCCOCC(C)c1ccccc1 7a_100011216074_100000756946 [0,2,0,0,0,0|1,0,1]=4 13503 B17R1.1224 CCC(C)CCCOCC(O)c1ccccc1 7a_100011216074_100000185958 [0,2,0,0,0,0|0,0,2]=4 13504 B17R1.1224 CCC(C)CCCOC[C@@H](O)c1ccccc1 7a_100011216074_100011933945 [0,2,0,0,0,0|0,0,2]=4 13505 B17R1.1224 CCC(C)CCNCCC(=O)c1ccccc1 2230a_100020591266_100000750707 [0,2,0,0,0,0|1,0,0]=3 13506 B17R1.1224 CCC(C)CCNCCS(=O)c1ccccc1 2230a_100020591266_100000740319 [0,2,0,0,0,0|2,0,0]=4 13507 B17R1.1224 CCC(C)CCOCCC(=O)c1ccccc1 7a_100011215188_100000750707 [0,2,0,0,0,0|1,0,0]=3 13508 B17R1.1224 CCC(C)CCOCCS(=O)c1ccccc1 7a_100011215188_100000740319 [0,2,0,0,0,0|2,0,0]=4 13509 B17R1.1224 CCC(C)CCOCOC(=O)c1ccccc1 7a_100011215188_100000073877 [0,2,0,0,0,0|0,0,0]=2 13510 B17R1.1224 CCC(C)CNCCCC(=O)c1ccccc1 2230a_100020588543_100000211006 [0,2,0,0,0,0|1,0,0]=3 13511 B17R1.1224 CCC(C)CNCCNC(=O)c1ccccc1 2230a_100000736134_100000748023 [0,2,0,0,0,0|1,0,0]=3 13512 B17R1.1224 CCC(C)CNCCNC(=O)c1ccccc1 270004a_100000736134_100000243153 [0,2,0,0,0,0|1,0,0]=3 13513 B17R1.1224 CCC(C)CNCCNC(=O)c1ccncc1 2230a_200011198449_100000748023 [0,2,0,0,0,0|2,0,0]=4 13514 B17R1.1224 CCC(C)CNCCNC(=O)c1ccncc1 270004a_200011198449_100000243153 [0,2,0,0,0,0|2,0,0]=4 13515 B17R1.1224 CCC(C)COCCNC(=O)c1ccccc1 34a_200000158897_100000748023 [0,2,0,0,0,0|1,0,0]=3 13516 B17R1.1224 CCC(C)COCCNC(=O)c1ccccc1 7a_200000158897_100000748023 [0,2,0,0,0,0|1,0,0]=3 13517 B17R1.1224 CCC(C)COCCOC(=O)c1ccccc1 7a_100000025465_100000748023 [0,2,0,0,0,0|0,0,0]=2 13518 B17R1.1224 CCC(C)CSCCCC(=O)c1ccccc1 62a_100000211006_100000748023 [0,2,0,0,0,0|1,0,0]=3 13519 B17R1.1224 CCC(C)CSCCCC(=O)c1ccccc1 62a_100000748023_100000211006 [0,2,0,0,0,0|1,0,0]=3 13520 B17R1.1224 CCC(C)CSCCNC(=O)c1ccccc1 62a_100000748023_200011215302 [0,2,0,0,0,0|1,0,0]=3 13521 B17R1.1224 CCC(C)CSCCNC(=O)c1ccccc1 62a_200011215302_100000748023 [0,2,0,0,0,0|1,0,0]=3 13522 B17R1.1224 CCC(C)CSCCOC(=O)c1ccccc1 62a_100000748023_100009812718 [0,2,0,0,0,0|0,0,0]=2 13523 B17R1.1224 CCC(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100000748023 [0,2,0,0,0,0|0,0,0]=2 13524 B17R1.1224 CCC(C)NCCCOC(C)c1ccccc1 2230a_100000206020_100000758301 [0,2,0,0,0,0|1,0,1]=4 13525 B17R1.1224 CCC(C)NCCCOC(C)c1ccccc1 34a_100000206020_100011215416 [0,2,0,0,0,0|1,0,1]=4 13526 B17R1.1224 CCC(C)OCCCOC(=O)c1ccccc1 7a_100000210228_200009892979 [0,2,0,0,0,0|0,0,0]=2 13527 B17R1.1224 CCC(C)SCCCOC(=O)c1ccccc1 62a_100000758301_200009892979 [0,2,0,0,0,0|0,0,0]=2 13528 B17R1.1224 CCC(C)SCCCOC(=O)c1ccccc1 62a_200009892979_100000758301 [0,2,0,0,0,0|0,0,0]=2 13529 B17R1.1224 CCC(O)CNCCCC(=O)c1ccccc1 2230a_100011218483_100000211006 [0,2,0,0,0,0|1,0,0]=3 13530 B17R1.1224 CCC(O)CNCCNC(=O)c1ccccc1 2230a_100000736134_100011218378 [0,2,0,0,0,0|1,0,0]=3 13531 B17R1.1224 CCC(O)CNCCNC(=O)c1ccncc1 2230a_200011198449_100011218378 [0,2,0,0,0,0|2,0,0]=4 13532 B17R1.1224 CCC(O)COCCNC(=O)c1ccccc1 34a_200000158897_100011218378 [0,2,0,0,0,0|1,0,0]=3 13533 B17R1.1224 CCC(O)COCCNC(=O)c1ccccc1 7a_200000158897_100011218378 [0,2,0,0,0,0|1,0,0]=3 13534 B17R1.1224 CCC(O)COCCOC(=O)c1ccccc1 7a_100000025465_100011218378 [0,2,0,0,0,0|0,0,0]=2 13535 B17R1.1224 CCC(O)CSCCCC(=O)c1ccccc1 62a_100000211006_100011218378 [0,2,0,0,0,0|1,0,0]=3 13536 B17R1.1224 CCC(O)CSCCCC(=O)c1ccccc1 62a_100011218378_100000211006 [0,2,0,0,0,0|1,0,0]=3 13537 B17R1.1224 CCC(O)CSCCNC(=O)c1ccccc1 62a_100011218378_200011215302 [0,2,0,0,0,0|1,0,0]=3 13538 B17R1.1224 CCC(O)CSCCNC(=O)c1ccccc1 62a_200011215302_100011218378 [0,2,0,0,0,0|1,0,0]=3 13539 B17R1.1224 CCC(O)CSCCOC(=O)c1ccccc1 62a_100009812718_100011218378 [0,2,0,0,0,0|0,0,0]=2 13540 B17R1.1224 CCC(O)CSCCOC(=O)c1ccccc1 62a_100011218378_100009812718 [0,2,0,0,0,0|0,0,0]=2 13541 B17R1.1224 CCN(C)CCCCOC(=O)c1ccccc1 269982a_100000225621_100000039408 [0,2,0,0,0,0|0,0,0]=2 13542 B17R1.1224 CCN(C)CCCSCC(=O)c1ccccc1 62a_100000211460_100015186262 [0,2,0,0,0,0|1,1,0]=4 13543 B17R1.1224 CC[C@H](C)CNCCNC(=O)c1ccccc1 2230a_100000736134_100009816398 [0,2,0,0,0,0|1,0,0]=3 13544 B17R1.1224 CC[C@H](C)CNCCNC(=O)c1ccncc1 2230a_200011198449_100009816398 [0,2,0,0,0,0|2,0,0]=4 13545 B17R1.1224 CC[C@H](C)COCCCC(=O)c1ccccc1 7a_100009816381_100000211006 [0,2,0,0,0,0|1,0,0]=3 13546 B17R1.1224 CC[C@H](C)COCCNC(=O)c1ccccc1 34a_200000158897_100009816398 [0,2,0,0,0,0|1,0,0]=3 13547 B17R1.1224 CC[C@H](C)COCCNC(=O)c1ccccc1 7a_100009816381_200011215302 [0,2,0,0,0,0|1,0,0]=3 13548 B17R1.1224 CC[C@H](C)COCCNC(=O)c1ccccc1 7a_200000158897_100009816398 [0,2,0,0,0,0|1,0,0]=3 13549 B17R1.1224 CC[C@H](C)COCCOC(=O)c1ccccc1 7a_100000025465_100009816398 [0,2,0,0,0,0|0,0,0]=2 13550 B17R1.1224 CC[C@H](C)COCCOC(=O)c1ccccc1 7a_100009816381_100000184176 [0,2,0,0,0,0|0,0,0]=2 13551 B17R1.1224 CC[C@H](C)CSCCCC(=O)c1ccccc1 62a_100000211006_100009816398 [0,2,0,0,0,0|1,0,0]=3 13552 B17R1.1224 CC[C@H](C)CSCCCC(=O)c1ccccc1 62a_100009816398_100000211006 [0,2,0,0,0,0|1,0,0]=3 13553 B17R1.1224 CC[C@H](C)CSCCNC(=O)c1ccccc1 62a_100009816398_200011215302 [0,2,0,0,0,0|1,0,0]=3 13554 B17R1.1224 CC[C@H](C)CSCCNC(=O)c1ccccc1 62a_200011215302_100009816398 [0,2,0,0,0,0|1,0,0]=3 13555 B17R1.1224 CC[C@H](C)CSCCOC(=O)c1ccccc1 62a_100009812718_100009816398 [0,2,0,0,0,0|0,0,0]=2 13556 B17R1.1224 CC[C@H](C)CSCCOC(=O)c1ccccc1 62a_100009816398_100009812718 [0,2,0,0,0,0|0,0,0]=2 13557 B17R1.1224 CNC(=O)CCCCNC(=O)c1ccccc1 11a_106832991635_100000689376 [0,2,0,0,0,0|1,0,1]=4 13558 B17R1.1224 CNC(=O)CCCCNC(=O)c1ccccc1 1626a_100102657272_100000689376 [0,2,0,0,0,0|1,0,1]=4 13559 B17R1.1224 CNC(=O)CCCCNC(=O)c1ccccc1 240690a_100102657272_100000689376 [0,2,0,0,0,0|1,0,1]=4 13560 B17R1.1224 CNC(=O)CCCCNC(=O)c1ccccc1 527a_100102657272_100000689376 [0,2,0,0,0,0|1,0,1]=4 13561 B17R1.1224 CNC(=O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000737683 [0,2,0,0,0,0|1,0,1]=4 13562 B17R1.1224 CNC(=O)CCSCOC(=O)c1ccccc1 62a_100000737683_100000073877 [0,2,0,0,0,0|1,0,1]=4 13563 B17R1.1224 CNC(=O)COCCOC(=O)c1ccccc1 34a_100000750040_100009812718 [0,2,0,0,0,0|1,0,1]=4 13564 B17R1.1224 CNC(=O)COCCOC(=O)c1ccccc1 7a_100000025465_100000183359 [0,2,0,0,0,0|1,0,1]=4 13565 B17R1.1224 CNC(=O)CSCCOC(=O)c1ccccc1 62a_100000183359_100009812718 [0,2,0,0,0,0|1,0,1]=4 13566 B17R1.1224 CNC(=O)CSCCOC(=O)c1ccccc1 62a_100009812718_100000183359 [0,2,0,0,0,0|1,0,1]=4 13567 B17R1.1224 COC(=O)CCCCCC(=O)c1ccccc1 1458a_100000185807_100009816466 [0,2,0,0,0,0|1,0,1]=4 13568 B17R1.1224 COC(=O)CCCCNC(=O)c1ccccc1 188690a_100000746077_100000185807 [0,2,0,0,0,0|1,0,1]=4 13569 B17R1.1224 COC(=O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000204255 [0,2,0,0,0,0|1,0,1]=4 13570 B17R1.1224 COC(=O)CCSCOC(=O)c1ccccc1 62a_100000204255_100000073877 [0,2,0,0,0,0|1,0,1]=4 13571 B17R1.1224 COC(=O)COCCOC(=O)c1ccccc1 7a_100000025465_100000747449 [0,2,0,0,0,0|1,0,1]=4 13572 B17R1.1224 COC(=O)CSCCOC(=O)c1ccccc1 62a_100000747449_100009812718 [0,2,0,0,0,0|1,0,1]=4 13573 B17R1.1224 COC(=O)CSCCOC(=O)c1ccccc1 62a_100009812718_100000747449 [0,2,0,0,0,0|1,0,1]=4 13574 B17R1.1224 COC(C)CCOCCC(=O)c1ccccc1 7a_100000764861_100000750707 [0,2,0,0,0,0|2,0,0]=4 13575 B17R1.1224 COC(C)CCOCOC(=O)c1ccccc1 7a_100000764861_100000073877 [0,2,0,0,0,0|1,0,0]=3 13576 B17R1.1224 COC(C)COCCOC(=O)c1ccccc1 34a_100000690652_100009812718 [0,2,0,0,0,0|1,0,0]=3 13577 B17R1.1224 COC(C)SCCCOC(=O)c1ccccc1 62a_100009879195_200009892979 [0,2,0,0,0,0|1,0,0]=3 13578 B17R1.1224 COC(C)SCCCOC(=O)c1ccccc1 62a_200009892979_100009879195 [0,2,0,0,0,0|1,0,0]=3 13579 B17R1.1224 CO[C@H](C)CNCCCC(=O)c1ccccc1 2230a_100020591295_100000211006 [0,2,0,0,0,0|2,0,0]=4 13580 B17R1.1224 C[C@@H](CN)CCCOCC(=O)c1ccccn1 34a_100160569302_100000027445 [0,2,0,0,0,0|2,0,0]=4 13581 B17R1.1224 C[C@@H](CO)CNCCNC(=O)c1ccccc1 2230a_100000736134_100000059175 [0,2,0,0,0,0|2,0,0]=4 13582 B17R1.1224 C[C@@H](CO)COCCNC(=O)c1ccccc1 34a_200000158897_100000059175 [0,2,0,0,0,0|2,0,0]=4 13583 B17R1.1224 C[C@@H](CO)COCCNC(=O)c1ccccc1 7a_200000158897_100000059175 [0,2,0,0,0,0|2,0,0]=4 13584 B17R1.1224 C[C@@H](CO)COCCOC(=O)c1ccccc1 7a_100000025465_100000059175 [0,2,0,0,0,0|1,0,0]=3 13585 B17R1.1224 C[C@@H](CO)CSCCCC(=O)c1ccccc1 62a_100000059175_100000211006 [0,2,0,0,0,0|2,0,0]=4 13586 B17R1.1224 C[C@@H](CO)CSCCCC(=O)c1ccccc1 62a_100000211006_100000059175 [0,2,0,0,0,0|2,0,0]=4 13587 B17R1.1224 C[C@@H](CO)CSCCNC(=O)c1ccccc1 62a_100000059175_200011215302 [0,2,0,0,0,0|2,0,0]=4 13588 B17R1.1224 C[C@@H](CO)CSCCNC(=O)c1ccccc1 62a_200011215302_100000059175 [0,2,0,0,0,0|2,0,0]=4 13589 B17R1.1224 C[C@@H](CO)CSCCOC(=O)c1ccccc1 62a_100000059175_100009812718 [0,2,0,0,0,0|1,0,0]=3 13590 B17R1.1224 C[C@@H](CO)CSCCOC(=O)c1ccccc1 62a_100009812718_100000059175 [0,2,0,0,0,0|1,0,0]=3 13591 B17R1.1224 C[C@H](CO)SCCCOC(=O)c1ccccc1 62a_100016084084_200009892979 [0,2,0,0,0,0|1,0,0]=3 13592 B17R1.1224 C[C@H](CO)SCCCOC(=O)c1ccccc1 62a_200009892979_100016084084 [0,2,0,0,0,0|1,0,0]=3 13593 B17R1.1224 N#CC(F)SCCCOC(=O)c1ccccc1 62a_200000117898_200009892979 [0,2,0,0,0,0|1,0,1]=4 13594 B17R1.1224 N#CC(F)SCCCOC(=O)c1ccccc1 62a_200009892979_200000117898 [0,2,0,0,0,0|1,0,1]=4 13595 B17R1.1224 NC[C@@H](F)COCCOC(=O)c1ccccc1 34a_100015665980_100009812718 [0,2,0,0,0,0|1,0,0]=3 13596 B17R1.1224 O=C(CCCNC[C@H](O)CO)c1ccccc1 2230a_100020644852_100000211006 [0,2,0,0,0,0|2,0,0]=4 13597 B17R1.1224 O=C(CCCSCC(O)CO)c1ccccc1 62a_100000211006_100011219619 [0,2,0,0,0,0|2,0,0]=4 13598 B17R1.1224 O=C(CCCSCC(O)CO)c1ccccc1 62a_100011219619_100000211006 [0,2,0,0,0,0|2,0,0]=4 13599 B17R1.1224 O=C(CCCSC[C@@H](O)CF)c1ccccc1 62a_100000211006_100015614560 [0,2,0,0,0,0|2,0,0]=4 13600 B17R1.1224 O=C(CCCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100000211006 [0,2,0,0,0,0|2,0,0]=4 13601 B17R1.1224 O=C(CCCSC[C@@H](O)CO)c1ccccc1 62a_100000211006_100009815848 [0,2,0,0,0,0|2,0,0]=4 13602 B17R1.1224 O=C(CCCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100000211006 [0,2,0,0,0,0|2,0,0]=4 13603 B17R1.1224 O=C(CF)CCCCNC(=O)c1ccccc1 1458a_100000689376_100015361967 [0,2,0,0,0,0|1,0,1]=4 13604 B17R1.1224 O=C(CO)CCCCOC(=O)c1ccccc1 1458a_100000210174_100000039408 [0,2,0,0,0,0|0,0,1]=3 13605 B17R1.1224 O=C(NCCNCC(O)CO)c1ccccc1 2230a_100000736134_100011219619 [0,2,0,0,0,0|2,0,0]=4 13606 B17R1.1224 O=C(NCCNC[C@@H](O)CF)c1ccccc1 2230a_100000736134_100015614560 [0,2,0,0,0,0|2,0,0]=4 13607 B17R1.1224 O=C(NCCNC[C@@H](O)CO)c1ccccc1 2230a_100000736134_100009815848 [0,2,0,0,0,0|2,0,0]=4 13608 B17R1.1224 O=C(NCCOCC(O)CO)c1ccccc1 34a_200000158897_100011219619 [0,2,0,0,0,0|2,0,0]=4 13609 B17R1.1224 O=C(NCCOCC(O)CO)c1ccccc1 7a_200000158897_100011219619 [0,2,0,0,0,0|2,0,0]=4 13610 B17R1.1224 O=C(NCCOC[C@@H](O)CF)c1ccccc1 34a_200000158897_100015614560 [0,2,0,0,0,0|2,0,0]=4 13611 B17R1.1224 O=C(NCCOC[C@@H](O)CF)c1ccccc1 7a_200000158897_100015614560 [0,2,0,0,0,0|2,0,0]=4 13612 B17R1.1224 O=C(NCCOC[C@@H](O)CO)c1ccccc1 34a_200000158897_100009815848 [0,2,0,0,0,0|2,0,0]=4 13613 B17R1.1224 O=C(NCCOC[C@@H](O)CO)c1ccccc1 7a_200000158897_100009815848 [0,2,0,0,0,0|2,0,0]=4 13614 B17R1.1224 O=C(NCCSCC(O)CO)c1ccccc1 62a_100011219619_200011215302 [0,2,0,0,0,0|2,0,0]=4 13615 B17R1.1224 O=C(NCCSCC(O)CO)c1ccccc1 62a_200011215302_100011219619 [0,2,0,0,0,0|2,0,0]=4 13616 B17R1.1224 O=C(NCCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_200011215302 [0,2,0,0,0,0|2,0,0]=4 13617 B17R1.1224 O=C(NCCSC[C@@H](O)CF)c1ccccc1 62a_200011215302_100015614560 [0,2,0,0,0,0|2,0,0]=4 13618 B17R1.1224 O=C(NCCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_200011215302 [0,2,0,0,0,0|2,0,0]=4 13619 B17R1.1224 O=C(NCCSC[C@@H](O)CO)c1ccccc1 62a_200011215302_100009815848 [0,2,0,0,0,0|2,0,0]=4 13620 B17R1.1224 O=C(OCCNC[C@@H](F)CO)c1ccccc1 34a_100015665980_100009812718 [0,2,0,0,0,0|1,0,0]=3 13621 B17R1.1224 O=C(OCCOCC(Cl)CCl)c1ccccc1 34a_100000033668_100009812718 [0,2,0,0,0,0|1,0,0]=3 13622 B17R1.1224 O=C(OCCOCC(O)CO)c1ccccc1 7a_100000025465_100011219619 [0,2,0,0,0,0|1,0,0]=3 13623 B17R1.1224 O=C(OCCOC[C@@H](O)CF)c1ccccc1 7a_100000025465_100015614560 [0,2,0,0,0,0|1,0,0]=3 13624 B17R1.1224 O=C(OCCOC[C@@H](O)CO)c1ccccc1 7a_100000025465_100009815848 [0,2,0,0,0,0|1,0,0]=3 13625 B17R1.1224 O=C(OCCSCC(O)CO)c1ccccc1 62a_100009812718_100011219619 [0,2,0,0,0,0|1,0,0]=3 13626 B17R1.1224 O=C(OCCSCC(O)CO)c1ccccc1 62a_100011219619_100009812718 [0,2,0,0,0,0|1,0,0]=3 13627 B17R1.1224 O=C(OCCSC[C@@H](O)CF)c1ccccc1 62a_100009812718_100015614560 [0,2,0,0,0,0|1,0,0]=3 13628 B17R1.1224 O=C(OCCSC[C@@H](O)CF)c1ccccc1 62a_100015614560_100009812718 [0,2,0,0,0,0|1,0,0]=3 13629 B17R1.1224 O=C(OCCSC[C@@H](O)CO)c1ccccc1 62a_100009812718_100009815848 [0,2,0,0,0,0|1,0,0]=3 13630 B17R1.1224 O=C(OCCSC[C@@H](O)CO)c1ccccc1 62a_100009815848_100009812718 [0,2,0,0,0,0|1,0,0]=3 13631 B17R1.1240 C#CC(OCCCCCCC)c1ccccc1 34a_100011219616_100000210614 [0,2,0,0,0,0|1,0,1]=4 13632 B17R1.1240 C#CC(OCCCCCCC)c1ccccc1 7a_100011219616_100000210614 [0,2,0,0,0,0|1,0,1]=4 13633 B17R1.1240 C#CC(OCCCCCCF)c1ccccc1 34a_100011219616_100015922095 [0,2,0,0,0,0|1,0,1]=4 13634 B17R1.1240 C#CC(OCCCCCCF)c1ccccc1 7a_100011219616_100015922095 [0,2,0,0,0,0|1,0,1]=4 13635 B17R1.1240 C#CC(OCCCCCCO)c1ccccc1 34a_100011219616_100000766143 [0,2,0,0,0,0|1,0,1]=4 13636 B17R1.1240 C#CC(OCCCCCCO)c1ccccc1 7a_100011219616_100000766143 [0,2,0,0,0,0|1,0,1]=4 13637 B17R1.1240 C#CC(OCCOCCCC)c1ccccc1 34a_100011219616_100000743108 [0,2,0,0,0,0|1,0,1]=4 13638 B17R1.1240 C#CC(OCCOCCCC)c1ccccc1 7a_100011219616_100000743108 [0,2,0,0,0,0|1,0,1]=4 13639 B17R1.1240 C=CC(OCCCCCCC)c1ccccc1 34a_100011215659_100000210614 [0,2,0,0,0,0|1,0,1]=4 13640 B17R1.1240 C=CC(OCCCCCCC)c1ccccc1 7a_100011215659_100000210614 [0,2,0,0,0,0|1,0,1]=4 13641 B17R1.1240 C=CC(OCCCCCCF)c1ccccc1 34a_100011215659_100015922095 [0,2,0,0,0,0|1,0,1]=4 13642 B17R1.1240 C=CC(OCCCCCCF)c1ccccc1 7a_100011215659_100015922095 [0,2,0,0,0,0|1,0,1]=4 13643 B17R1.1240 C=CC(OCCCCCCO)c1ccccc1 34a_100011215659_100000766143 [0,2,0,0,0,0|1,0,1]=4 13644 B17R1.1240 C=CC(OCCCCCCO)c1ccccc1 7a_100011215659_100000766143 [0,2,0,0,0,0|1,0,1]=4 13645 B17R1.1240 C=CC(OCCOCCCC)c1ccccc1 34a_100011215659_100000743108 [0,2,0,0,0,0|1,0,1]=4 13646 B17R1.1240 C=CC(OCCOCCCC)c1ccccc1 7a_100011215659_100000743108 [0,2,0,0,0,0|1,0,1]=4 13647 B17R1.1240 CCC(OCCCCCCF)c1ccccc1 34a_100000698172_100015922095 [0,2,0,0,0,0|1,0,1]=4 13648 B17R1.1240 CCC(OCCCCCCF)c1ccccc1 7a_100000698172_100015922095 [0,2,0,0,0,0|1,0,1]=4 13649 B17R1.1240 CCC(OCCCCCCO)c1ccccc1 34a_100000698172_100000766143 [0,2,0,0,0,0|1,0,1]=4 13650 B17R1.1240 CCC(OCCCCCCO)c1ccccc1 7a_100000698172_100000766143 [0,2,0,0,0,0|1,0,1]=4 13651 B17R1.1240 CCCCCCCOC(C#N)c1ccccc1 7a_100011217353_100000210614 [0,2,0,0,0,0|1,0,1]=4 13652 B17R1.1240 CCCCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210614 [0,2,0,0,0,0|1,0,1]=4 13653 B17R1.1240 CCCCCCCOC(CC)c1ccccc1 34a_100000698172_100000210614 [0,2,0,0,0,0|1,0,1]=4 13654 B17R1.1240 CCCCCCCOC(CC)c1ccccc1 7a_100000698172_100000210614 [0,2,0,0,0,0|1,0,1]=4 13655 B17R1.1240 CCCCCCCOC(CN)c1ccccc1 34a_100000210709_100000210614 [0,2,0,0,0,0|1,0,1]=4 13656 B17R1.1240 CCCCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210614 [0,2,0,0,0,0|1,0,1]=4 13657 B17R1.1240 CCCCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210614 [0,2,0,0,0,0|1,0,1]=4 13658 B17R1.1240 CCCCCCOCC(CC)c1ccccc1 34a_100000752371_100000210314 [0,2,0,0,0,0|1,0,1]=4 13659 B17R1.1240 CCCCCCOCC(CC)c1ccccc1 7a_100000752371_100000210314 [0,2,0,0,0,0|1,0,1]=4 13660 B17R1.1240 CCCCCCOCC(OC)c1ccccc1 34a_100011215540_100000210314 [0,2,0,0,0,0|0,0,2]=4 13661 B17R1.1240 CCCCCCOCC(OC)c1ccccc1 7a_100011215540_100000210314 [0,2,0,0,0,0|0,0,2]=4 13662 B17R1.1240 CCCCOCCOC(C#N)c1ccccc1 7a_100011217353_100000743108 [0,2,0,0,0,0|1,0,1]=4 13663 B17R1.1240 CCCCOCCOC(CBr)c1ccccc1 7a_100000185958_100000743108 [0,2,0,0,0,0|1,0,1]=4 13664 B17R1.1240 CCCCOCCOC(CC)c1ccccc1 34a_100000698172_100000743108 [0,2,0,0,0,0|1,0,1]=4 13665 B17R1.1240 CCCCOCCOC(CC)c1ccccc1 7a_100000698172_100000743108 [0,2,0,0,0,0|1,0,1]=4 13666 B17R1.1240 CCCCOCCOC(CN)c1ccccc1 34a_100000210709_100000743108 [0,2,0,0,0,0|1,0,1]=4 13667 B17R1.1240 CCCCOCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000743108 [0,2,0,0,0,0|1,0,1]=4 13668 B17R1.1240 CCCCOCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000743108 [0,2,0,0,0,0|1,0,1]=4 13669 B17R1.1240 FCCCCCCOC(CBr)c1ccccc1 7a_100000185958_100015922095 [0,2,0,0,0,0|1,0,1]=4 13670 B17R1.1240 FCCCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100015922095 [0,2,0,0,0,0|1,0,1]=4 13671 B17R1.1240 FCCCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100015922095 [0,2,0,0,0,0|1,0,1]=4 13672 B17R1.1240 N#CC(OCCCCCCF)c1ccccc1 7a_100011217353_100015922095 [0,2,0,0,0,0|1,0,1]=4 13673 B17R1.1240 N#CC(OCCCCCCO)c1ccccc1 7a_100011217353_100000766143 [0,2,0,0,0,0|1,0,1]=4 13674 B17R1.1240 NCC(OCCCCCCF)c1ccccc1 34a_100000210709_100015922095 [0,2,0,0,0,0|1,0,1]=4 13675 B17R1.1240 NCC(OCCCCCCO)c1ccccc1 34a_100000210709_100000766143 [0,2,0,0,0,0|1,0,1]=4 13676 B17R1.1240 OCCCCCCOC(CBr)c1ccccc1 7a_100000185958_100000766143 [0,2,0,0,0,0|1,0,1]=4 13677 B17R1.1240 OCCCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000766143 [0,2,0,0,0,0|1,0,1]=4 13678 B17R1.1240 OCCCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000766143 [0,2,0,0,0,0|1,0,1]=4 13679 B17R1.1299 C#CCCCC(=O)COC(=O)c1ccccc1 1458a_100000690238_100000073877 [0,2,0,0,0,0|0,0,2]=4 13680 B17R1.1299 C=CCCCC(=O)COC(=O)c1ccccc1 1458a_100000766728_100000073877 [0,2,0,0,0,0|0,0,2]=4 13681 B17R1.1299 C=CCCNC(C)COC(=O)c1ccccc1 270004a_100015191253_100000000904 [0,2,0,0,0,0|0,0,2]=4 13682 B17R1.1299 CC(CCC(=O)c1ccccc1)OCCCF 7a_200012571355_100011934791 [0,2,0,0,0,0|2,0,0]=4 13683 B17R1.1299 CC(CCC(=O)c1ccccc1)OCCCO 7a_200012571355_100011215043 [0,2,0,0,0,0|2,0,0]=4 13684 B17R1.1299 CC(COC(=O)c1ccccc1)NCCC#N 270004a_100000720768_100000000904 [0,2,0,0,0,0|1,0,1]=4 13685 B17R1.1299 CC(COC(=O)c1ccccc1)NCCCF 270004a_100015189416_100000000904 [0,2,0,0,0,0|1,0,0]=3 13686 B17R1.1299 CC(COC(=O)c1ccccc1)NCCCO 270004a_100000182051_100000000904 [0,2,0,0,0,0|1,0,0]=3 13687 B17R1.1299 CC(OC[C@@H](N)CCCCN)c1ccccc1 34a_100016993712_100000211855 [0,2,0,0,0,0|1,0,1]=4 13688 B17R1.1299 CC/C=C/CC(=O)COC(=O)c1ccccc1 1458a_100016274230_100000073877 [0,2,0,0,0,0|0,0,2]=4 13689 B17R1.1299 CCC#CCC(C)OCC(=O)c1ccccc1 7a_200000035118_100000211460 [0,2,0,0,0,0|0,0,2]=4 13690 B17R1.1299 CCCC#CC(=O)COC(=O)c1ccccc1 1458a_200011218047_100000073877 [0,2,0,0,0,0|0,0,2]=4 13691 B17R1.1299 CCCC=CC(=O)COC(=O)c1ccccc1 1458a_100000212230_100000073877 [0,2,0,0,0,0|0,0,2]=4 13692 B17R1.1299 CCCCCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100000211708 [0,2,0,0,0,0|1,0,1]=4 13693 B17R1.1299 CCCCCC(=O)CCC(=O)c1ccccc1 1458a_100000212188_100000750707 [0,2,0,0,0,0|1,0,0]=3 13694 B17R1.1299 CCCCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210326 [0,2,0,0,0,0|1,0,0]=3 13695 B17R1.1299 CCCCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000210326 [0,2,0,0,0,0|2,0,0]=4 13696 B17R1.1299 CCCCCC(=O)COC(=O)c1ccccc1 1458a_100000212188_100000073877 [0,2,0,0,0,0|0,0,0]=2 13697 B17R1.1299 CCCCCC(=O)CO[C@H](C)c1ccccc1 34a_100000761318_200012276598 [0,2,0,0,0,0|1,0,1]=4 13698 B17R1.1299 CCCCCC(=O)CO[C@H](C)c1ccccc1 7a_100000761318_200012276598 [0,2,0,0,0,0|1,0,1]=4 13699 B17R1.1299 CCCCCC(=O)CSC(=S)c1ccccc1 1458a_100000043459_100000210326 [0,2,0,0,0,0|0,2,0]=4 13700 B17R1.1299 CCCCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000212188 [0,2,0,0,0,0|1,0,1]=4 13701 B17R1.1299 CCCCCC(=O)NNC(=O)c1ccccc1 22a_100000189784_100000185807 [0,2,0,0,0,0|1,0,1]=4 13702 B17R1.1299 CCCCCC(C)OCC(=O)c1ccccc1 7a_100011215632_100000211460 [0,2,0,0,0,0|0,0,0]=2 13703 B17R1.1299 CCCCCC(C)OCC(=O)c1ccccn1 34a_100011215632_100000027445 [0,2,0,0,0,0|1,0,0]=3 13704 B17R1.1299 CCCCCC(C)OCC(=O)c1ccccn1 7a_100011215632_100000027445 [0,2,0,0,0,0|1,0,0]=3 13705 B17R1.1299 CCCCCC(C)OCC(=O)c1ccncc1 7a_100011215632_100015248511 [0,2,0,0,0,0|1,0,0]=3 13706 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 34a_100011215166_200011218191 [0,2,0,0,0,0|1,0,1]=4 13707 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 34a_100011215632_100000756946 [0,2,0,0,0,0|1,0,1]=4 13708 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 7a_100011215166_200011218191 [0,2,0,0,0,0|1,0,1]=4 13709 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 7a_100011215632_100000756946 [0,2,0,0,0,0|1,0,1]=4 13710 B17R1.1299 CCCCCC(C)OCC(O)c1ccccc1 34a_100011215632_100000185958 [0,2,0,0,0,0|0,0,2]=4 13711 B17R1.1299 CCCCCC(C)OCC(O)c1ccccc1 7a_100011215632_100000185958 [0,2,0,0,0,0|0,0,2]=4 13712 B17R1.1299 CCCCCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_200011218191 [0,2,0,0,0,0|1,0,1]=4 13713 B17R1.1299 CCCCCC(C)OC[C@@H](O)c1ccccc1 34a_100011215632_100011933945 [0,2,0,0,0,0|0,0,2]=4 13714 B17R1.1299 CCCCCC(C)OC[C@@H](O)c1ccccc1 7a_100011215632_100011933945 [0,2,0,0,0,0|0,0,2]=4 13715 B17R1.1299 CCCCCC(C)SCC(=O)c1ccccc1 62a_100000211460_200011218191 [0,2,0,0,0,0|0,1,0]=3 13716 B17R1.1299 CCCCCC(C)SCC(=O)c1ccccc1 62a_200011218191_100000211460 [0,2,0,0,0,0|0,1,0]=3 13717 B17R1.1299 CCCCCC(C)SCC(=O)c1ccccn1 62a_100000027445_200011218191 [0,2,0,0,0,0|1,1,0]=4 13718 B17R1.1299 CCCCCC(C)SCC(=O)c1ccccn1 62a_200011218191_100000027445 [0,2,0,0,0,0|1,1,0]=4 13719 B17R1.1299 CCCCCC(C)SCC(=O)c1cccnc1 62a_100000757877_200011218191 [0,2,0,0,0,0|1,1,0]=4 13720 B17R1.1299 CCCCCC(C)SCC(=O)c1cccnc1 62a_200011218191_100000757877 [0,2,0,0,0,0|1,1,0]=4 13721 B17R1.1299 CCCCCC(C)SCC(=O)c1ccncc1 62a_100000027454_200011218191 [0,2,0,0,0,0|1,1,0]=4 13722 B17R1.1299 CCCCCC(C)SCC(=O)c1ccncc1 62a_200011218191_100000027454 [0,2,0,0,0,0|1,1,0]=4 13723 B17R1.1299 CCCCCC(C)SCS(=O)c1ccccc1 62a_200011218191_100000031784 [0,2,0,0,0,0|1,1,0]=4 13724 B17R1.1299 CCCCCN(C)CCC(=O)c1ccccc1 2230a_100000223495_100000750707 [0,2,0,0,0,0|1,0,0]=3 13725 B17R1.1299 CCCCCN(C)CCC(=O)c1ccccc1 269982a_100000223495_100000750707 [0,2,0,0,0,0|1,0,0]=3 13726 B17R1.1299 CCCCCN(C)CCS(=O)c1ccccc1 2230a_100000223495_100000740319 [0,2,0,0,0,0|2,0,0]=4 13727 B17R1.1299 CCCCCN(C)CCS(=O)c1ccccc1 269982a_100000223495_100000740319 [0,2,0,0,0,0|2,0,0]=4 13728 B17R1.1299 CCCCCN(C)COC(=O)c1ccccc1 269982a_100000223495_100000073877 [0,2,0,0,0,0|0,0,0]=2 13729 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 11a_100000102301_100000182045 [0,2,0,0,0,0|1,0,1]=4 13730 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 1626a_100000102301_100000182045 [0,2,0,0,0,0|1,0,1]=4 13731 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 240690a_100000102301_100000182045 [0,2,0,0,0,0|1,0,1]=4 13732 B17R1.1299 CCCCNC(=O)CNC(=O)c1ccccc1 527a_100000102301_100000182045 [0,2,0,0,0,0|1,0,1]=4 13733 B17R1.1299 CCCCNC(C)COC(=O)c1ccccc1 270004a_100000102301_100000000904 [0,2,0,0,0,0|0,0,0]=2 13734 B17R1.1299 CCCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210211 [0,2,0,0,0,0|1,0,0]=3 13735 B17R1.1299 CCCOCC(=O)CCC(=O)c1ccccc1 1458a_100000745993_100000750707 [0,2,0,0,0,0|1,0,1]=4 13736 B17R1.1299 CCCOCC(=O)COC(=O)c1ccccc1 1458a_100000745993_100000073877 [0,2,0,0,0,0|0,0,1]=3 13737 B17R1.1299 CCCSCC(=O)CCC(=O)c1ccccc1 1458a_100000217233_100000750707 [0,2,0,0,0,0|1,0,1]=4 13738 B17R1.1299 CCCSCC(=O)COC(=O)c1ccccc1 1458a_100000217233_100000073877 [0,2,0,0,0,0|0,0,1]=3 13739 B17R1.1299 CCOCCC(=O)CCC(=O)c1ccccc1 1458a_100000749530_100000750707 [0,2,0,0,0,0|1,0,1]=4 13740 B17R1.1299 CCOCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011215890 [0,2,0,0,0,0|1,0,1]=4 13741 B17R1.1299 CCOCCC(=O)COC(=O)c1ccccc1 1458a_100000749530_100000073877 [0,2,0,0,0,0|0,0,1]=3 13742 B17R1.1299 CCSCCC(=O)CCC(=O)c1ccccc1 1458a_100000230768_100000750707 [0,2,0,0,0,0|1,0,1]=4 13743 B17R1.1299 CCSCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000757381 [0,2,0,0,0,0|1,0,1]=4 13744 B17R1.1299 CCSCCC(=O)COC(=O)c1ccccc1 1458a_100000230768_100000073877 [0,2,0,0,0,0|0,0,1]=3 13745 B17R1.1299 CN(CCCCO)CCC(=O)c1ccccc1 2230a_100000717598_100000750707 [0,2,0,0,0,0|2,0,0]=4 13746 B17R1.1299 CN(CCCCO)CCC(=O)c1ccccc1 269982a_100000717598_100000750707 [0,2,0,0,0,0|2,0,0]=4 13747 B17R1.1299 CN(CCCCO)COC(=O)c1ccccc1 269982a_100000717598_100000073877 [0,2,0,0,0,0|1,0,0]=3 13748 B17R1.1299 COCCCC(=O)CCC(=O)c1ccccc1 1458a_100000741012_100000750707 [0,2,0,0,0,0|1,0,1]=4 13749 B17R1.1299 COCCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000740836 [0,2,0,0,0,0|1,0,1]=4 13750 B17R1.1299 COCCCC(=O)COC(=O)c1ccccc1 1458a_100000741012_100000073877 [0,2,0,0,0,0|0,0,1]=3 13751 B17R1.1299 COCCCC(C)OCC(=O)c1ccccc1 7a_200011539412_100000211460 [0,2,0,0,0,0|1,0,0]=3 13752 B17R1.1299 COCCCC(C)OCC(=O)c1ccccn1 34a_200011539412_100000027445 [0,2,0,0,0,0|2,0,0]=4 13753 B17R1.1299 COCCCC(C)OCC(=O)c1ccccn1 7a_200011539412_100000027445 [0,2,0,0,0,0|2,0,0]=4 13754 B17R1.1299 COCCCC(C)OCC(=O)c1ccncc1 7a_200011539412_100015248511 [0,2,0,0,0,0|2,0,0]=4 13755 B17R1.1299 COCCCN(C)CCC(=O)c1ccccc1 2230a_100000224831_100000750707 [0,2,0,0,0,0|2,0,0]=4 13756 B17R1.1299 COCCCN(C)CCC(=O)c1ccccc1 269982a_100000224831_100000750707 [0,2,0,0,0,0|2,0,0]=4 13757 B17R1.1299 COCCCN(C)COC(=O)c1ccccc1 269982a_100000224831_100000073877 [0,2,0,0,0,0|1,0,0]=3 13758 B17R1.1299 COCCNC(C)COC(=O)c1ccccc1 270004a_100000209980_100000000904 [0,2,0,0,0,0|1,0,0]=3 13759 B17R1.1299 COCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000233755 [0,2,0,0,0,0|2,0,0]=4 13760 B17R1.1299 CSCCCC(=O)CCC(=O)c1ccccc1 1458a_100000173376_100000750707 [0,2,0,0,0,0|1,0,1]=4 13761 B17R1.1299 CSCCCC(=O)COC(=O)c1ccccc1 1458a_100000173376_100000073877 [0,2,0,0,0,0|0,0,1]=3 13762 B17R1.1299 CSCCNC(C)COC(=O)c1ccccc1 270004a_100020590264_100000000904 [0,2,0,0,0,0|1,0,0]=3 13763 B17R1.1299 CSCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000212216 [0,2,0,0,0,0|2,0,0]=4 13764 B17R1.1299 N#CCCCC(=O)COC(=O)c1ccccc1 1458a_100000075515_100000073877 [0,2,0,0,0,0|0,0,2]=4 13765 B17R1.1299 O=C(CCCCF)CNC(=O)c1ccccc1 1458a_100000182045_100000729493 [0,2,0,0,0,0|1,0,1]=4 13766 B17R1.1299 O=C(CCCCO)CCC(=O)c1ccccc1 1458a_100000695505_100000750707 [0,2,0,0,0,0|1,0,1]=4 13767 B17R1.1299 O=C(CCCCO)CNC(=O)c1ccccc1 1458a_100000182045_100000210776 [0,2,0,0,0,0|1,0,1]=4 13768 B17R1.1299 O=C(CCCCO)COC(=O)c1ccccc1 1458a_100000695505_100000073877 [0,2,0,0,0,0|0,0,1]=3 13769 B17R1.1299 O=C(COCCO)COC(=O)c1ccccc1 1458a_100000708028_100000073877 [0,2,0,0,0,0|1,0,1]=4 13770 B17R1.1433 CC(C)(OCCCCCCF)c1ccccc1 7a_100000694644_100015922095 [0,2,0,0,0,0|1,0,1]=4 13771 B17R1.1433 CC(C)(OCCCCCCO)c1ccccc1 7a_100000694644_100000766143 [0,2,0,0,0,0|1,0,1]=4 13772 B17R1.1433 CCCCCCCNS(=O)(=O)c1ccccc1 270084a_100000229938_100000210345 [0,2,0,0,0,0|2,0,0]=4 13773 B17R1.1433 CCCCCCCNS(=O)(=O)c1ccccc1 274078a_100000229938_100000210345 [0,2,0,0,0,0|2,0,0]=4 13774 B17R1.1433 CCCCCCCNS(=O)(=O)c1ccccc1 40a_100000229938_100000032697 [0,2,0,0,0,0|2,0,0]=4 13775 B17R1.1433 CCCCCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210614 [0,2,0,0,0,0|1,0,1]=4 13776 B17R1.1433 CCCCCCCOC(F)(F)c1ccccc1 7a_100000210272_100000036403 [0,2,0,0,0,0|1,0,1]=4 13777 B17R1.1433 CCCCCCOCC(C)(C)c1ccccc1 7a_100000747608_100000210314 [0,2,0,0,0,0|1,0,1]=4 13778 B17R1.1433 CCCCCCOCC(F)(F)c1ccccc1 34a_100000210259_100009875531 [0,2,0,0,0,0|1,0,1]=4 13779 B17R1.1433 CCCCCCOCS(=O)(=O)c1ccccc1 34a_100000210259_200009813291 [0,2,0,0,0,0|1,0,0]=3 13780 B17R1.1433 CCCCCCOC[Si](C)(C)c1ccccc1 7a_100000210259_100000038972 [0,2,0,0,0,0|1,1,0]=4 13781 B17R1.1433 CCCCCCSCS(=O)(=O)c1ccccc1 62a_100000210314_100000240042 [0,2,0,0,0,0|1,1,0]=4 13782 B17R1.1433 CCCCCCSCS(=O)(=O)c1ccccc1 62a_100000240042_100000210757 [0,2,0,0,0,0|1,1,0]=4 13783 B17R1.1433 CCCCCNCCS(=O)(=O)c1ccccc1 2230a_100000168333_100000210326 [0,2,0,0,0,0|2,0,0]=4 13784 B17R1.1433 CCCCCNCCS(=O)(=O)c1ccccc1 2230a_100000209983_100000229977 [0,2,0,0,0,0|2,0,0]=4 13785 B17R1.1433 CCCCCOCCS(=O)(=O)c1ccccc1 34a_200011215558_100000718602 [0,2,0,0,0,0|2,0,0]=4 13786 B17R1.1433 CCCCCOCCS(=O)(=O)c1ccccc1 7a_100000210253_100000229977 [0,2,0,0,0,0|2,0,0]=4 13787 B17R1.1433 CCCCCOCCS(=O)(=O)c1ccccc1 7a_200011215558_100000210326 [0,2,0,0,0,0|2,0,0]=4 13788 B17R1.1433 CCCCCSCCS(=O)(=O)c1ccccc1 62a_100000210326_100000229977 [0,2,0,0,0,0|2,0,0]=4 13789 B17R1.1433 CCCCCSCCS(=O)(=O)c1ccccc1 62a_100000229977_100000210326 [0,2,0,0,0,0|2,0,0]=4 13790 B17R1.1433 CCCCNCCNS(=O)(=O)c1ccccc1 2230a_100000736423_100000210211 [0,2,0,0,0,0|2,0,0]=4 13791 B17R1.1433 CCCCNCCNS(=O)(=O)c1ccccc1 34a_100000736423_100000210210 [0,2,0,0,0,0|2,0,0]=4 13792 B17R1.1433 CCCCNCCOS(=O)(=O)c1ccccc1 7a_106832991798_200000070464 [0,2,0,0,0,0|1,0,0]=3 13793 B17R1.1433 CCCCOCCOC(C)(C)c1ccccc1 7a_100000694644_100000743108 [0,2,0,0,0,0|1,0,1]=4 13794 B17R1.1433 CCCCOCCOC(F)(F)c1ccccc1 7a_100000210238_100000036403 [0,2,0,0,0,0|1,0,1]=4 13795 B17R1.1433 CCCCOCCOS(=O)(=O)c1ccccc1 34a_100000210227_200000070464 [0,2,0,0,0,0|1,0,0]=3 13796 B17R1.1433 CCCCOCCOS(=O)(=O)c1ccccc1 7a_100000210227_200000070464 [0,2,0,0,0,0|1,0,0]=3 13797 B17R1.1433 CCCCSCCNS(=O)(=O)c1ccccc1 270084a_100025743550_100000210345 [0,2,0,0,0,0|2,0,0]=4 13798 B17R1.1433 CCCCSCCNS(=O)(=O)c1ccccc1 274078a_100025743550_100000210345 [0,2,0,0,0,0|2,0,0]=4 13799 B17R1.1433 CCCCSCCNS(=O)(=O)c1ccccc1 40a_100025743550_100000032697 [0,2,0,0,0,0|2,0,0]=4 13800 B17R1.1433 CCCCSCCOC(F)(F)c1ccccc1 7a_200000230436_100000036403 [0,2,0,0,0,0|1,0,1]=4 13801 B17R1.1433 CCCCSCCOS(=O)(=O)c1ccccc1 62a_100000210211_200000070464 [0,2,0,0,0,0|1,0,0]=3 13802 B17R1.1433 CCCOCCCNS(=O)(=O)c1ccccc1 270084a_100011217757_100000210345 [0,2,0,0,0,0|2,0,0]=4 13803 B17R1.1433 CCCOCCCNS(=O)(=O)c1ccccc1 274078a_100011217757_100000210345 [0,2,0,0,0,0|2,0,0]=4 13804 B17R1.1433 CCCOCCCNS(=O)(=O)c1ccccc1 40a_100011217757_100000032697 [0,2,0,0,0,0|2,0,0]=4 13805 B17R1.1433 CCCOCCOCS(=O)(=O)c1ccccc1 34a_100000752267_200009813291 [0,2,0,0,0,0|2,0,0]=4 13806 B17R1.1433 CCCSCCOCS(=O)(=O)c1ccccc1 34a_200000230433_200009813291 [0,2,0,0,0,0|2,0,0]=4 13807 B17R1.1433 CCOCCCOCS(=O)(=O)c1ccccc1 34a_100000757476_200009813291 [0,2,0,0,0,0|2,0,0]=4 13808 B17R1.1433 CCOCSCCOS(=O)(=O)c1ccccc1 62a_100000739092_200000070464 [0,2,0,0,0,0|2,0,0]=4 13809 B17R1.1433 CCSCCCOCS(=O)(=O)c1ccccc1 34a_100011216438_200009813291 [0,2,0,0,0,0|2,0,0]=4 13810 B17R1.1433 COCCCCCNS(=O)(=O)c1ccccc1 270084a_100000747528_100000210345 [0,2,0,0,0,0|2,0,0]=4 13811 B17R1.1433 COCCCCCNS(=O)(=O)c1ccccc1 274078a_100000747528_100000210345 [0,2,0,0,0,0|2,0,0]=4 13812 B17R1.1433 COCCCCCNS(=O)(=O)c1ccccc1 40a_100000747528_100000032697 [0,2,0,0,0,0|2,0,0]=4 13813 B17R1.1433 COCCCCOCS(=O)(=O)c1ccccc1 34a_100000740925_200009813291 [0,2,0,0,0,0|2,0,0]=4 13814 B17R1.1433 COCCOCCOS(=O)(=O)c1ccccc1 34a_100000210237_200000070464 [0,2,0,0,0,0|2,0,0]=4 13815 B17R1.1433 COCCSCCOS(=O)(=O)c1ccccc1 62a_100000233755_200000070464 [0,2,0,0,0,0|2,0,0]=4 13816 B17R1.1433 CSCCCCOCS(=O)(=O)c1ccccc1 34a_100011217163_200009813291 [0,2,0,0,0,0|2,0,0]=4 13817 B17R1.1433 CSCCOCCOS(=O)(=O)c1ccccc1 34a_100000230434_200000070464 [0,2,0,0,0,0|2,0,0]=4 13818 B17R1.1433 CSCCOCCOS(=O)(=O)c1ccccc1 7a_100000230434_200000070464 [0,2,0,0,0,0|2,0,0]=4 13819 B17R1.1433 CSCCSCCOS(=O)(=O)c1ccccc1 62a_100000212216_200000070464 [0,2,0,0,0,0|2,0,0]=4 13820 B17R1.1433 FC(F)(OCCCCCCBr)c1ccccc1 7a_100011215345_100000036403 [0,2,0,0,0,0|1,0,1]=4 13821 B17R1.1433 FC(F)(OCCCCCCCl)c1ccccc1 7a_100000766143_100000036403 [0,2,0,0,0,0|1,0,1]=4 13822 B17R1.1433 FCCCCCCOC(F)(F)c1ccccc1 7a_100000732779_100000036403 [0,2,0,0,0,0|1,0,1]=4 13823 B17R1.1433 NCCCCCOCS(=O)(=O)c1ccccc1 34a_100000762737_200009813291 [0,2,0,0,0,0|2,0,0]=4 13824 B17R1.1433 NCCCOCCOS(=O)(=O)c1ccccc1 34a_100000182051_200000070464 [0,2,0,0,0,0|2,0,0]=4 13825 B17R1.1433 O=S(=O)(COCCCCCBr)c1ccccc1 34a_100000746331_200009813291 [0,2,0,0,0,0|2,0,0]=4 13826 B17R1.1433 O=S(=O)(COCCCCCCl)c1ccccc1 34a_100000746330_200009813291 [0,2,0,0,0,0|2,0,0]=4 13827 B17R1.1433 O=S(=O)(COCCCCCI)c1ccccc1 34a_200012148887_200009813291 [0,2,0,0,0,0|2,0,0]=4 13828 B17R1.1433 O=S(=O)(NCCCCCCO)c1ccccc1 270084a_100000686447_100000210345 [0,2,0,0,0,0|2,0,0]=4 13829 B17R1.1433 O=S(=O)(NCCCCCCO)c1ccccc1 274078a_100000686447_100000210345 [0,2,0,0,0,0|2,0,0]=4 13830 B17R1.1433 O=S(=O)(NCCCCCCO)c1ccccc1 40a_100000686447_100000032697 [0,2,0,0,0,0|2,0,0]=4 13831 B17R1.1433 O=S(=O)(OCCNCCCF)c1ccccc1 34a_100015189416_200000070464 [0,2,0,0,0,0|2,0,0]=4 13832 B17R1.1433 O=S(=O)(OCCOCCCBr)c1ccccc1 34a_100011217188_200000070464 [0,2,0,0,0,0|2,0,0]=4 13833 B17R1.1433 O=S(=O)(OCCOCCCCl)c1ccccc1 34a_100000230001_200000070464 [0,2,0,0,0,0|2,0,0]=4 13834 B17R1.1433 O=S(=O)(OCCOCCCF)c1ccccc1 34a_100000759539_200000070464 [0,2,0,0,0,0|2,0,0]=4 13835 B17R1.1433 O=S(=O)(OCCSCCCF)c1ccccc1 62a_100011934791_200000070464 [0,2,0,0,0,0|2,0,0]=4 13836 B17R1.1433 O=S(=O)(OCCSCCCO)c1ccccc1 62a_100011215043_200000070464 [0,2,0,0,0,0|2,0,0]=4 13837 B17R1.1556 C#CCCC(=O)CCOC(=O)c1ccccc1 1458a_100000692101_100000184176 [0,2,0,0,0,0|0,0,2]=4 13838 B17R1.1556 C=C(CCCC(=O)CCCC)c1ccccc1 1458a_200009911520_100000210211 [0,2,0,0,0,0|2,0,0]=4 13839 B17R1.1556 C=CCCC(=O)CCOC(=O)c1ccccc1 1458a_100000749702_100000184176 [0,2,0,0,0,0|0,0,2]=4 13840 B17R1.1556 C=CCCC(C)OCOC(=O)c1ccccc1 7a_100000765329_100000073877 [0,2,0,0,0,0|0,0,2]=4 13841 B17R1.1556 C=CCCN(C)CCOC(=O)c1ccccc1 269982a_100020639649_100009812718 [0,2,0,0,0,0|0,0,2]=4 13842 B17R1.1556 CC(CCCCl)OCCC(=O)c1ccccc1 7a_200000718107_100000750707 [0,2,0,0,0,0|2,0,0]=4 13843 B17R1.1556 CC(CCCCl)OCOC(=O)c1ccccc1 7a_200000718107_100000073877 [0,2,0,0,0,0|1,0,0]=3 13844 B17R1.1556 CC=CCC(=O)CCOC(=O)c1ccccc1 1458a_100121576822_100000184176 [0,2,0,0,0,0|0,0,2]=4 13845 B17R1.1556 CCC#CC(=O)CCOC(=O)c1ccccc1 1458a_100011827653_100000184176 [0,2,0,0,0,0|0,0,2]=4 13846 B17R1.1556 CCC#CC(C)OCOC(=O)c1ccccc1 7a_100000033903_100000073877 [0,2,0,0,0,0|0,0,2]=4 13847 B17R1.1556 CCC=CC(=O)CCOC(=O)c1ccccc1 1458a_100000212282_100000184176 [0,2,0,0,0,0|0,0,2]=4 13848 B17R1.1556 CCCCC(=O)CCCC(=O)c1ccccc1 1458a_100000210183_100000211006 [0,2,0,0,0,0|1,0,0]=3 13849 B17R1.1556 CCCCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210211 [0,2,0,0,0,0|1,0,0]=3 13850 B17R1.1556 CCCCC(=O)CCNC(=O)c1ccccc1 1458a_100000210183_200011215302 [0,2,0,0,0,0|1,0,0]=3 13851 B17R1.1556 CCCCC(=O)CCOC(=O)c1ccccc1 1458a_100000210183_100000184176 [0,2,0,0,0,0|0,0,0]=2 13852 B17R1.1556 CCCCC(C)COCC(=O)c1ccccc1 7a_100011995851_100000211460 [0,2,0,0,0,0|0,0,0]=2 13853 B17R1.1556 CCCCC(C)COCC(=O)c1ccccn1 34a_100011995851_100000027445 [0,2,0,0,0,0|1,0,0]=3 13854 B17R1.1556 CCCCC(C)COCC(=O)c1ccccn1 7a_100011995851_100000027445 [0,2,0,0,0,0|1,0,0]=3 13855 B17R1.1556 CCCCC(C)COCC(=O)c1ccncc1 7a_100011995851_100015248511 [0,2,0,0,0,0|1,0,0]=3 13856 B17R1.1556 CCCCC(C)COCC(C)c1ccccc1 34a_100011995851_100000756946 [0,2,0,0,0,0|1,0,1]=4 13857 B17R1.1556 CCCCC(C)COCC(C)c1ccccc1 7a_100011995851_100000756946 [0,2,0,0,0,0|1,0,1]=4 13858 B17R1.1556 CCCCC(C)COCC(O)c1ccccc1 34a_100011995851_100000185958 [0,2,0,0,0,0|0,0,2]=4 13859 B17R1.1556 CCCCC(C)COCC(O)c1ccccc1 7a_100011995851_100000185958 [0,2,0,0,0,0|0,0,2]=4 13860 B17R1.1556 CCCCC(C)COC[C@@H](O)c1ccccc1 34a_100011995851_100011933945 [0,2,0,0,0,0|0,0,2]=4 13861 B17R1.1556 CCCCC(C)COC[C@@H](O)c1ccccc1 7a_100011995851_100011933945 [0,2,0,0,0,0|0,0,2]=4 13862 B17R1.1556 CCCCC(C)NCCC(=O)c1ccccc1 2230a_100000126638_100000750707 [0,2,0,0,0,0|1,0,0]=3 13863 B17R1.1556 CCCCC(C)NCCS(=O)c1ccccc1 2230a_100000126638_100000740319 [0,2,0,0,0,0|2,0,0]=4 13864 B17R1.1556 CCCCC(C)OCCC(=O)c1ccccc1 7a_100000687866_100000750707 [0,2,0,0,0,0|1,0,0]=3 13865 B17R1.1556 CCCCC(C)OCCS(=O)c1ccccc1 7a_100000687866_100000740319 [0,2,0,0,0,0|2,0,0]=4 13866 B17R1.1556 CCCCC(C)OCOC(=O)c1ccccc1 7a_100000687866_100000073877 [0,2,0,0,0,0|0,0,0]=2 13867 B17R1.1556 CCCCC(C)SCCC(=O)c1ccccc1 62a_100000750707_200011215066 [0,2,0,0,0,0|1,0,0]=3 13868 B17R1.1556 CCCCC(C)SCCC(=O)c1ccccc1 62a_200011215066_100000750707 [0,2,0,0,0,0|1,0,0]=3 13869 B17R1.1556 CCCCC(C)SCCS(=O)c1ccccc1 62a_200011215066_100000740319 [0,2,0,0,0,0|2,0,0]=4 13870 B17R1.1556 CCCCC(C)SCOC(=O)c1ccccc1 62a_100000073877_200011215066 [0,2,0,0,0,0|0,0,0]=2 13871 B17R1.1556 CCCCC(C)SCOC(=O)c1ccccc1 62a_200011215066_100000073877 [0,2,0,0,0,0|0,0,0]=2 13872 B17R1.1556 CCCCN(C)CCCC(=O)c1ccccc1 2230a_100000207549_100000211006 [0,2,0,0,0,0|1,0,0]=3 13873 B17R1.1556 CCCCN(C)CCCC(=O)c1ccccc1 269982a_100000207549_100000211006 [0,2,0,0,0,0|1,0,0]=3 13874 B17R1.1556 CCCCN(C)CCNC(=O)c1ccccc1 1626a_200000754967_100000185807 [0,2,0,0,0,0|1,0,0]=3 13875 B17R1.1556 CCCCN(C)CCNC(=O)c1ccccc1 240690a_200000754967_100000185807 [0,2,0,0,0,0|1,0,0]=3 13876 B17R1.1556 CCCCN(C)CCNC(=O)c1ccccc1 269982a_100000207549_200011215302 [0,2,0,0,0,0|1,0,0]=3 13877 B17R1.1556 CCCCN(C)CCNC(=O)c1ccccc1 527a_200000754967_100000185807 [0,2,0,0,0,0|1,0,0]=3 13878 B17R1.1556 CCCCN(C)CCOC(=O)c1ccccc1 269982a_100000207549_100009812718 [0,2,0,0,0,0|0,0,0]=2 13879 B17R1.1556 CCCC[C@H](N)COCC(=O)c1ccccn1 34a_100011934283_100000027445 [0,2,0,0,0,0|1,0,0]=3 13880 B17R1.1556 CCCC[C@H](N)COCC(C)c1ccccc1 34a_100011934283_100000756946 [0,2,0,0,0,0|1,0,1]=4 13881 B17R1.1556 CCCC[C@H](N)COCC(O)c1ccccc1 34a_100011934283_100000185958 [0,2,0,0,0,0|0,0,2]=4 13882 B17R1.1556 CCCC[C@H](N)COC[C@@H](O)c1ccccc1 34a_100011934283_100011933945 [0,2,0,0,0,0|0,0,2]=4 13883 B17R1.1556 CCCNC(=O)CCCC(=O)c1ccccc1 1458a_100000185807_100011194427 [0,2,0,0,0,0|1,0,1]=4 13884 B17R1.1556 CCCNC(=O)CCNC(=O)c1ccccc1 11a_100020643023_100000182757 [0,2,0,0,0,0|1,0,1]=4 13885 B17R1.1556 CCCNC(=O)CCNC(=O)c1ccccc1 1626a_100020643023_100000182757 [0,2,0,0,0,0|1,0,1]=4 13886 B17R1.1556 CCCNC(=O)CCNC(=O)c1ccccc1 240690a_100020643023_100000182757 [0,2,0,0,0,0|1,0,1]=4 13887 B17R1.1556 CCCNC(=O)CCNC(=O)c1ccccc1 527a_100020643023_100000182757 [0,2,0,0,0,0|1,0,1]=4 13888 B17R1.1556 CCOCC(=O)CCCC(=O)c1ccccc1 1458a_100000211967_100000211006 [0,2,0,0,0,0|1,0,1]=4 13889 B17R1.1556 CCOCC(=O)CCNC(=O)c1ccccc1 1458a_100000211967_200011215302 [0,2,0,0,0,0|1,0,1]=4 13890 B17R1.1556 CCOCC(=O)CCOC(=O)c1ccccc1 1458a_100000211967_100000184176 [0,2,0,0,0,0|0,0,1]=3 13891 B17R1.1556 CCOCC(C)OCCC(=O)c1ccccc1 7a_100000718985_100000750707 [0,2,0,0,0,0|2,0,0]=4 13892 B17R1.1556 CCOCC(C)OCOC(=O)c1ccccc1 7a_100000718985_100000073877 [0,2,0,0,0,0|1,0,0]=3 13893 B17R1.1556 CCSCC(=O)CCCC(=O)c1ccccc1 1458a_100000230394_100000211006 [0,2,0,0,0,0|1,0,1]=4 13894 B17R1.1556 CCSCC(=O)CCNC(=O)c1ccccc1 1458a_100000230394_200011215302 [0,2,0,0,0,0|1,0,1]=4 13895 B17R1.1556 CCSCC(=O)CCOC(=O)c1ccccc1 1458a_100000230394_100000184176 [0,2,0,0,0,0|0,0,1]=3 13896 B17R1.1556 CN(CCCO)CCCC(=O)c1ccccc1 2230a_100000213112_100000211006 [0,2,0,0,0,0|2,0,0]=4 13897 B17R1.1556 CN(CCCO)CCCC(=O)c1ccccc1 269982a_100000213112_100000211006 [0,2,0,0,0,0|2,0,0]=4 13898 B17R1.1556 CN(CCCO)CCNC(=O)c1ccccc1 269982a_100000213112_200011215302 [0,2,0,0,0,0|2,0,0]=4 13899 B17R1.1556 CN(CCCO)CCOC(=O)c1ccccc1 269982a_100000213112_100009812718 [0,2,0,0,0,0|1,0,0]=3 13900 B17R1.1556 COCCC(=O)CCCC(=O)c1ccccc1 1458a_100000749529_100000211006 [0,2,0,0,0,0|1,0,1]=4 13901 B17R1.1556 COCCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000233755 [0,2,0,0,0,0|1,0,1]=4 13902 B17R1.1556 COCCC(=O)CCNC(=O)c1ccccc1 1458a_100000749529_200011215302 [0,2,0,0,0,0|1,0,1]=4 13903 B17R1.1556 COCCC(=O)CCOC(=O)c1ccccc1 1458a_100000749529_100000184176 [0,2,0,0,0,0|0,0,1]=3 13904 B17R1.1556 COCCN(C)CCCC(=O)c1ccccc1 2230a_100000743101_100000211006 [0,2,0,0,0,0|2,0,0]=4 13905 B17R1.1556 COCCN(C)CCCC(=O)c1ccccc1 269982a_100000743101_100000211006 [0,2,0,0,0,0|2,0,0]=4 13906 B17R1.1556 COCCN(C)CCNC(=O)c1ccccc1 269982a_100000743101_200011215302 [0,2,0,0,0,0|2,0,0]=4 13907 B17R1.1556 COCCN(C)CCOC(=O)c1ccccc1 269982a_100000743101_100009812718 [0,2,0,0,0,0|1,0,0]=3 13908 B17R1.1556 COCO[C@H](C)COCC(=O)c1ccccc1 7a_100016172286_100000211460 [0,2,0,0,0,0|2,0,0]=4 13909 B17R1.1556 CSCCC(=O)CCCC(=O)c1ccccc1 1458a_100000174002_100000211006 [0,2,0,0,0,0|1,0,1]=4 13910 B17R1.1556 CSCCC(=O)CCNC(=O)c1ccccc1 1458a_100000174002_200011215302 [0,2,0,0,0,0|1,0,1]=4 13911 B17R1.1556 CSCCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000751147 [0,2,0,0,0,0|1,0,1]=4 13912 B17R1.1556 CSCCC(=O)CCOC(=O)c1ccccc1 1458a_100000174002_100000184176 [0,2,0,0,0,0|0,0,1]=3 13913 B17R1.1556 CSCCN(C)CCCC(=O)c1ccccc1 2230a_100000686725_100000211006 [0,2,0,0,0,0|2,0,0]=4 13914 B17R1.1556 CSCCN(C)CCCC(=O)c1ccccc1 269982a_100000686725_100000211006 [0,2,0,0,0,0|2,0,0]=4 13915 B17R1.1556 CSCCN(C)CCNC(=O)c1ccccc1 269982a_100000686725_200011215302 [0,2,0,0,0,0|2,0,0]=4 13916 B17R1.1556 CSCCN(C)CCOC(=O)c1ccccc1 269982a_100000686725_100009812718 [0,2,0,0,0,0|1,0,0]=3 13917 B17R1.1556 CSCC[C@H](N)COCC(=O)c1ccccn1 34a_100011827619_100000027445 [0,2,0,0,0,0|2,0,0]=4 13918 B17R1.1556 N#CCCC(=O)CCOC(=O)c1ccccc1 1458a_100011934036_100000184176 [0,2,0,0,0,0|0,0,2]=4 13919 B17R1.1556 O=C(CCCF)CCNC(=O)c1ccccc1 1458a_100000182757_100011934791 [0,2,0,0,0,0|1,0,1]=4 13920 B17R1.1556 O=C(CCCO)CCNC(=O)c1ccccc1 1458a_100000182757_100011215043 [0,2,0,0,0,0|1,0,1]=4 13921 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100012276617 [0,2,0,0,0,0|1,0,1]=4 13922 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1C 1458a_100000212026_100012276617 [0,2,0,0,0,0|1,0,1]=4 13923 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100012276617 [0,2,0,0,0,0|1,0,1]=4 13924 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100012276617 [0,2,0,0,0,0|1,0,1]=4 13925 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1I 1458a_100000187884_100012276617 [0,2,0,0,0,0|1,0,1]=4 13926 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100012276617 [0,2,0,0,0,0|1,0,1]=4 13927 B17R1.6947 C#CCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100012276617 [0,2,0,0,0,0|1,0,1]=4 13928 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1Br 34a_100000766709_100000199116 [0,2,0,0,0,0|0,0,2]=4 13929 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1C 34a_100000766709_100000741374 [0,2,0,0,0,0|0,0,2]=4 13930 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1C 7a_100000766709_100000741374 [0,2,0,0,0,0|0,0,2]=4 13931 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1Cl 34a_100000766709_100000211432 [0,2,0,0,0,0|0,0,2]=4 13932 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1F 34a_100000766709_100000204681 [0,2,0,0,0,0|0,0,2]=4 13933 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1F 7a_100000766709_100000204681 [0,2,0,0,0,0|0,0,2]=4 13934 B17R1.6947 C#CCCCCOCC(=O)c1ccccc1O 7a_100000766709_100000188908 [0,2,0,0,0,0|0,0,2]=4 13935 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100011215473 [0,2,0,0,0,0|1,0,1]=4 13936 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1C 1458a_100000212026_100011215473 [0,2,0,0,0,0|1,0,1]=4 13937 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215473 [0,2,0,0,0,0|1,0,1]=4 13938 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100011215473 [0,2,0,0,0,0|1,0,1]=4 13939 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1I 1458a_100000187884_100011215473 [0,2,0,0,0,0|1,0,1]=4 13940 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100011215473 [0,2,0,0,0,0|1,0,1]=4 13941 B17R1.6947 C=CCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215473 [0,2,0,0,0,0|1,0,1]=4 13942 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1Br 34a_100000766645_100000199116 [0,2,0,0,0,0|0,0,2]=4 13943 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1C 34a_100000766645_100000741374 [0,2,0,0,0,0|0,0,2]=4 13944 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1C 7a_100000766645_100000741374 [0,2,0,0,0,0|0,0,2]=4 13945 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1Cl 34a_100000766645_100000211432 [0,2,0,0,0,0|0,0,2]=4 13946 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1F 34a_100000766645_100000204681 [0,2,0,0,0,0|0,0,2]=4 13947 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1F 7a_100000766645_100000204681 [0,2,0,0,0,0|0,0,2]=4 13948 B17R1.6947 C=CCCCCOCC(=O)c1ccccc1O 7a_100000766645_100000188908 [0,2,0,0,0,0|0,0,2]=4 13949 B17R1.6947 CC(OCCCCCCBr)c1ccccc1Cl 7a_100011215345_100000181259 [0,2,0,0,0,0|1,0,1]=4 13950 B17R1.6947 CC(OCCCCCCBr)c1ccccc1F 34a_100011215345_200000741388 [0,2,0,0,0,0|1,0,1]=4 13951 B17R1.6947 CC(OCCCCCCBr)c1ccccc1F 7a_100011215345_200000741388 [0,2,0,0,0,0|1,0,1]=4 13952 B17R1.6947 CC(OCCCCCCCl)c1ccccc1Cl 7a_100000766143_100000181259 [0,2,0,0,0,0|1,0,1]=4 13953 B17R1.6947 CC(OCCCCCCCl)c1ccccc1F 34a_100000766143_200000741388 [0,2,0,0,0,0|1,0,1]=4 13954 B17R1.6947 CC(OCCCCCCCl)c1ccccc1F 7a_100000766143_200000741388 [0,2,0,0,0,0|1,0,1]=4 13955 B17R1.6947 CC(OCCCCCCF)c1ccccc1Br 34a_100000702211_100015922095 [0,2,0,0,0,0|1,0,1]=4 13956 B17R1.6947 CC(OCCCCCCF)c1ccccc1Br 7a_100000702211_100015922095 [0,2,0,0,0,0|1,0,1]=4 13957 B17R1.6947 CC(OCCCCCCF)c1ccccc1Cl 34a_100000740796_100015922095 [0,2,0,0,0,0|1,0,1]=4 13958 B17R1.6947 CC(OCCCCCCF)c1ccccc1Cl 7a_100000732779_100000181259 [0,2,0,0,0,0|1,0,1]=4 13959 B17R1.6947 CC(OCCCCCCF)c1ccccc1Cl 7a_100000740796_100015922095 [0,2,0,0,0,0|1,0,1]=4 13960 B17R1.6947 CC(OCCCCCCF)c1ccccc1F 34a_100000697922_100015922095 [0,2,0,0,0,0|1,0,1]=4 13961 B17R1.6947 CC(OCCCCCCF)c1ccccc1F 34a_100000732779_200000741388 [0,2,0,0,0,0|1,0,1]=4 13962 B17R1.6947 CC(OCCCCCCF)c1ccccc1F 7a_100000697922_100015922095 [0,2,0,0,0,0|1,0,1]=4 13963 B17R1.6947 CC(OCCCCCCF)c1ccccc1F 7a_100000732779_200000741388 [0,2,0,0,0,0|1,0,1]=4 13964 B17R1.6947 CC(OCCCCCCF)c1ccccc1N 7a_100011405641_100015922095 [0,2,0,0,0,0|1,0,1]=4 13965 B17R1.6947 CC(OCCCCCCN)c1ccccc1F 34a_100000686447_200000741388 [0,2,0,0,0,0|1,0,1]=4 13966 B17R1.6947 CC(OCCCCCCO)c1ccccc1Br 34a_100000702211_100000766143 [0,2,0,0,0,0|1,0,1]=4 13967 B17R1.6947 CC(OCCCCCCO)c1ccccc1Br 7a_100000702211_100000766143 [0,2,0,0,0,0|1,0,1]=4 13968 B17R1.6947 CC(OCCCCCCO)c1ccccc1Cl 34a_100000740796_100000766143 [0,2,0,0,0,0|1,0,1]=4 13969 B17R1.6947 CC(OCCCCCCO)c1ccccc1Cl 7a_100000740796_100000766143 [0,2,0,0,0,0|1,0,1]=4 13970 B17R1.6947 CC(OCCCCCCO)c1ccccc1F 34a_100000697922_100000766143 [0,2,0,0,0,0|1,0,1]=4 13971 B17R1.6947 CC(OCCCCCCO)c1ccccc1F 7a_100000697922_100000766143 [0,2,0,0,0,0|1,0,1]=4 13972 B17R1.6947 CC(OCCCCCCO)c1ccccc1N 7a_100011405641_100000766143 [0,2,0,0,0,0|1,0,1]=4 13973 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1Br 34a_100016288707_100000199116 [0,2,0,0,0,0|0,0,2]=4 13974 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1C 34a_100016288707_100000741374 [0,2,0,0,0,0|0,0,2]=4 13975 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1C 7a_100016288707_100000741374 [0,2,0,0,0,0|0,0,2]=4 13976 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1Cl 34a_100016288707_100000211432 [0,2,0,0,0,0|0,0,2]=4 13977 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1F 34a_100016288707_100000204681 [0,2,0,0,0,0|0,0,2]=4 13978 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1F 7a_100016288707_100000204681 [0,2,0,0,0,0|0,0,2]=4 13979 B17R1.6947 CC/C=C\CCOCC(=O)c1ccccc1O 7a_100016288707_100000188908 [0,2,0,0,0,0|0,0,2]=4 13980 B17R1.6947 CC=CCCCOCC(=O)c1ccccc1Br 34a_100020645299_100000199116 [0,2,0,0,0,0|0,0,2]=4 13981 B17R1.6947 CC=CCCCOCC(=O)c1ccccc1C 34a_100020645299_100000741374 [0,2,0,0,0,0|0,0,2]=4 13982 B17R1.6947 CC=CCCCOCC(=O)c1ccccc1Cl 34a_100020645299_100000211432 [0,2,0,0,0,0|0,0,2]=4 13983 B17R1.6947 CC=CCCCOCC(=O)c1ccccc1F 34a_100020645299_100000204681 [0,2,0,0,0,0|0,0,2]=4 13984 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1Br 34a_100000036655_100000199116 [0,2,0,0,0,0|0,0,2]=4 13985 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1C 34a_100000036655_100000741374 [0,2,0,0,0,0|0,0,2]=4 13986 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1C 7a_100000036655_100000741374 [0,2,0,0,0,0|0,0,2]=4 13987 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1Cl 34a_100000036655_100000211432 [0,2,0,0,0,0|0,0,2]=4 13988 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1F 34a_100000036655_100000204681 [0,2,0,0,0,0|0,0,2]=4 13989 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1F 7a_100000036655_100000204681 [0,2,0,0,0,0|0,0,2]=4 13990 B17R1.6947 CCC#CCCOCC(=O)c1ccccc1O 7a_100000036655_100000188908 [0,2,0,0,0,0|0,0,2]=4 13991 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1Br 34a_100016278788_100000199116 [0,2,0,0,0,0|0,0,2]=4 13992 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1C 34a_100016278788_100000741374 [0,2,0,0,0,0|0,0,2]=4 13993 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1C 7a_100016278788_100000741374 [0,2,0,0,0,0|0,0,2]=4 13994 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1Cl 34a_100016278788_100000211432 [0,2,0,0,0,0|0,0,2]=4 13995 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1F 34a_100016278788_100000204681 [0,2,0,0,0,0|0,0,2]=4 13996 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1F 7a_100016278788_100000204681 [0,2,0,0,0,0|0,0,2]=4 13997 B17R1.6947 CCC/C=C/COCC(=O)c1ccccc1O 7a_100016278788_100000188908 [0,2,0,0,0,0|0,0,2]=4 13998 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1Br 34a_100000034806_100000199116 [0,2,0,0,0,0|0,0,2]=4 13999 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1C 34a_100000034806_100000741374 [0,2,0,0,0,0|0,0,2]=4 14000 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1C 7a_100000034806_100000741374 [0,2,0,0,0,0|0,0,2]=4 14001 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1Cl 34a_100000034806_100000211432 [0,2,0,0,0,0|0,0,2]=4 14002 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1F 34a_100000034806_100000204681 [0,2,0,0,0,0|0,0,2]=4 14003 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1F 7a_100000034806_100000204681 [0,2,0,0,0,0|0,0,2]=4 14004 B17R1.6947 CCCC#CCOCC(=O)c1ccccc1O 7a_100000034806_100000188908 [0,2,0,0,0,0|0,0,2]=4 14005 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1Br 1458a_100000188424_100009816472 [0,2,0,0,0,0|1,0,1]=4 14006 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1C 1458a_100000212026_100009816472 [0,2,0,0,0,0|1,0,1]=4 14007 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1Cl 1458a_100000185844_100009816472 [0,2,0,0,0,0|1,0,1]=4 14008 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1F 1458a_100000188656_100009816472 [0,2,0,0,0,0|1,0,1]=4 14009 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1I 1458a_100000187884_100009816472 [0,2,0,0,0,0|1,0,1]=4 14010 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1O 1458a_100015234032_100009816472 [0,2,0,0,0,0|1,0,1]=4 14011 B17R1.6947 CCCCCC#CCC(=O)c1ccccc1[O-] 1458a_100009911694_100009816472 [0,2,0,0,0,0|1,0,1]=4 14012 B17R1.6947 CCCCCC=NNC(=O)c1ccccc1Br 4a_100000183644_100000737632 [0,2,0,0,0,0|1,0,1]=4 14013 B17R1.6947 CCCCCC=NNC(=O)c1ccccc1C 4a_100000181371_100000737632 [0,2,0,0,0,0|1,0,1]=4 14014 B17R1.6947 CCCCCC=NNC(=O)c1ccccc1Cl 4a_100000186534_100000737632 [0,2,0,0,0,0|1,0,1]=4 14015 B17R1.6947 CCCCCC=NNC(=O)c1ccccc1F 4a_100000183521_100000737632 [0,2,0,0,0,0|1,0,1]=4 14016 B17R1.6947 CCCCCC=NNC(=O)c1ccccc1I 4a_100000190081_100000737632 [0,2,0,0,0,0|1,0,1]=4 14017 B17R1.6947 CCCCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210759 [0,2,0,0,0,0|1,0,0]=3 14018 B17R1.6947 CCCCCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210759 [0,2,0,0,0,0|1,0,0]=3 14019 B17R1.6947 CCCCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210759 [0,2,0,0,0,0|1,0,0]=3 14020 B17R1.6947 CCCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210759 [0,2,0,0,0,0|1,0,0]=3 14021 B17R1.6947 CCCCCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210759 [0,2,0,0,0,0|1,0,0]=3 14022 B17R1.6947 CCCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210759 [0,2,0,0,0,0|1,0,0]=3 14023 B17R1.6947 CCCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210759 [0,2,0,0,0,0|1,0,0]=3 14024 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Br 11a_100000229938_100000188424 [0,2,0,0,0,0|1,0,0]=3 14025 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Br 1626a_100000229938_100000188424 [0,2,0,0,0,0|1,0,0]=3 14026 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Br 240690a_100000229938_100000188424 [0,2,0,0,0,0|1,0,0]=3 14027 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Br 527a_100000229938_100000188424 [0,2,0,0,0,0|1,0,0]=3 14028 B17R1.6947 CCCCCCCNC(=O)c1ccccc1C 11a_100000229938_100000212026 [0,2,0,0,0,0|1,0,0]=3 14029 B17R1.6947 CCCCCCCNC(=O)c1ccccc1C 1626a_100000229938_100000212026 [0,2,0,0,0,0|1,0,0]=3 14030 B17R1.6947 CCCCCCCNC(=O)c1ccccc1C 240690a_100000229938_100000212026 [0,2,0,0,0,0|1,0,0]=3 14031 B17R1.6947 CCCCCCCNC(=O)c1ccccc1C 527a_100000229938_100000212026 [0,2,0,0,0,0|1,0,0]=3 14032 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Cl 11a_100000229938_100000185844 [0,2,0,0,0,0|1,0,0]=3 14033 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Cl 1626a_100000229938_100000185844 [0,2,0,0,0,0|1,0,0]=3 14034 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Cl 240690a_100000229938_100000185844 [0,2,0,0,0,0|1,0,0]=3 14035 B17R1.6947 CCCCCCCNC(=O)c1ccccc1Cl 527a_100000229938_100000185844 [0,2,0,0,0,0|1,0,0]=3 14036 B17R1.6947 CCCCCCCNC(=O)c1ccccc1F 11a_100000229938_100000188656 [0,2,0,0,0,0|1,0,0]=3 14037 B17R1.6947 CCCCCCCNC(=O)c1ccccc1F 1626a_100000229938_100000188656 [0,2,0,0,0,0|1,0,0]=3 14038 B17R1.6947 CCCCCCCNC(=O)c1ccccc1F 240690a_100000229938_100000188656 [0,2,0,0,0,0|1,0,0]=3 14039 B17R1.6947 CCCCCCCNC(=O)c1ccccc1F 527a_100000229938_100000188656 [0,2,0,0,0,0|1,0,0]=3 14040 B17R1.6947 CCCCCCCNC(=O)c1ccccc1I 11a_100000229938_100000187884 [0,2,0,0,0,0|1,0,0]=3 14041 B17R1.6947 CCCCCCCNC(=O)c1ccccc1I 1626a_100000229938_100000187884 [0,2,0,0,0,0|1,0,0]=3 14042 B17R1.6947 CCCCCCCNC(=O)c1ccccc1I 240690a_100000229938_100000187884 [0,2,0,0,0,0|1,0,0]=3 14043 B17R1.6947 CCCCCCCNC(=O)c1ccccc1I 527a_100000229938_100000187884 [0,2,0,0,0,0|1,0,0]=3 14044 B17R1.6947 CCCCCCCNC(=O)c1ccccc1O 240690a_100000229938_100015234032 [0,2,0,0,0,0|1,0,0]=3 14045 B17R1.6947 CCCCCCCNC(=O)c1ccccc1[O-] 1626a_100000229938_100009911694 [0,2,0,0,0,0|1,0,0]=3 14046 B17R1.6947 CCCCCCCNC(=O)c1ccccc1[O-] 240690a_100000229938_100009911694 [0,2,0,0,0,0|1,0,0]=3 14047 B17R1.6947 CCCCCCCNC(=O)c1ccccc1[O-] 527a_100000229938_100009911694 [0,2,0,0,0,0|1,0,0]=3 14048 B17R1.6947 CCCCCCCOC(C)c1ccccc1Br 34a_100000702211_100000210614 [0,2,0,0,0,0|1,0,1]=4 14049 B17R1.6947 CCCCCCCOC(C)c1ccccc1Br 7a_100000702211_100000210614 [0,2,0,0,0,0|1,0,1]=4 14050 B17R1.6947 CCCCCCCOC(C)c1ccccc1C 34a_100000742021_100000210614 [0,2,0,0,0,0|1,0,1]=4 14051 B17R1.6947 CCCCCCCOC(C)c1ccccc1C 7a_100000742021_100000210614 [0,2,0,0,0,0|1,0,1]=4 14052 B17R1.6947 CCCCCCCOC(C)c1ccccc1Cl 34a_100000740796_100000210614 [0,2,0,0,0,0|1,0,1]=4 14053 B17R1.6947 CCCCCCCOC(C)c1ccccc1Cl 7a_100000210272_100000181259 [0,2,0,0,0,0|1,0,1]=4 14054 B17R1.6947 CCCCCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210614 [0,2,0,0,0,0|1,0,1]=4 14055 B17R1.6947 CCCCCCCOC(C)c1ccccc1F 34a_100000210272_200000741388 [0,2,0,0,0,0|1,0,1]=4 14056 B17R1.6947 CCCCCCCOC(C)c1ccccc1F 34a_100000697922_100000210614 [0,2,0,0,0,0|1,0,1]=4 14057 B17R1.6947 CCCCCCCOC(C)c1ccccc1F 7a_100000210272_200000741388 [0,2,0,0,0,0|1,0,1]=4 14058 B17R1.6947 CCCCCCCOC(C)c1ccccc1F 7a_100000697922_100000210614 [0,2,0,0,0,0|1,0,1]=4 14059 B17R1.6947 CCCCCCCOC(C)c1ccccc1N 7a_100011405641_100000210614 [0,2,0,0,0,0|1,0,1]=4 14060 B17R1.6947 CCCCCCNCC(=O)c1ccccc1C 2230a_100000210581_100000741374 [0,2,0,0,0,0|1,0,0]=3 14061 B17R1.6947 CCCCCCOCC(=O)c1ccccc1Br 34a_100000210259_100000199116 [0,2,0,0,0,0|0,0,0]=2 14062 B17R1.6947 CCCCCCOCC(=O)c1ccccc1C 34a_100000210259_100000741374 [0,2,0,0,0,0|0,0,0]=2 14063 B17R1.6947 CCCCCCOCC(=O)c1ccccc1C 7a_100000210259_100000741374 [0,2,0,0,0,0|0,0,0]=2 14064 B17R1.6947 CCCCCCOCC(=O)c1ccccc1Cl 34a_100000210259_100000211432 [0,2,0,0,0,0|0,0,0]=2 14065 B17R1.6947 CCCCCCOCC(=O)c1ccccc1F 34a_100000210259_100000204681 [0,2,0,0,0,0|0,0,0]=2 14066 B17R1.6947 CCCCCCOCC(=O)c1ccccc1F 7a_100000210259_100000204681 [0,2,0,0,0,0|0,0,0]=2 14067 B17R1.6947 CCCCCCOCC(=O)c1ccccc1O 7a_100000210259_100000188908 [0,2,0,0,0,0|0,0,0]=2 14068 B17R1.6947 CCCCCCOCC(N)c1ccccc1Cl 34a_100138412506_100000210314 [0,2,0,0,0,0|1,0,1]=4 14069 B17R1.6947 CCCCCCOC[C@@H](N)c1ccccc1Br 34a_100161155918_100000210314 [0,2,0,0,0,0|1,0,1]=4 14070 B17R1.6947 CCCCCCOC[C@H](N)c1ccccc1F 34a_100009818778_100000210314 [0,2,0,0,0,0|1,0,1]=4 14071 B17R1.6947 CCCCCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210757 [0,2,0,0,0,0|0,1,0]=3 14072 B17R1.6947 CCCCCCSCC(=O)c1ccccc1C 62a_100000210314_100000741374 [0,2,0,0,0,0|0,1,0]=3 14073 B17R1.6947 CCCCCCSCC(=O)c1ccccc1C 62a_100000741374_100000210757 [0,2,0,0,0,0|0,1,0]=3 14074 B17R1.6947 CCCCCCSCC(=O)c1ccccc1Cl 62a_100000210314_100000211432 [0,2,0,0,0,0|0,1,0]=3 14075 B17R1.6947 CCCCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210757 [0,2,0,0,0,0|0,1,0]=3 14076 B17R1.6947 CCCCCCSCC(=O)c1ccccc1F 62a_100000204681_100000210757 [0,2,0,0,0,0|0,1,0]=3 14077 B17R1.6947 CCCCCCSCC(=O)c1ccccc1F 62a_100000210314_100000204681 [0,2,0,0,0,0|0,1,0]=3 14078 B17R1.6947 CCCCCCSCC(=O)c1ccccc1O 62a_100000188908_100000210757 [0,2,0,0,0,0|0,1,0]=3 14079 B17R1.6947 CCCCCCSCC(=O)c1ccccc1O 62a_100000210314_100000188908 [0,2,0,0,0,0|0,1,0]=3 14080 B17R1.6947 CCCCCNCCC(=O)c1ccccc1F 2230a_100000209983_100000086012 [0,2,0,0,0,0|1,0,0]=3 14081 B17R1.6947 CCCCCOCCC(=O)c1ccccc1F 7a_100000210253_100000086012 [0,2,0,0,0,0|1,0,0]=3 14082 B17R1.6947 CCCCCOCCC(=O)c1ccccc1O 7a_100000210253_100009873196 [0,2,0,0,0,0|1,0,0]=3 14083 B17R1.6947 CCCCCSCCC(=O)c1ccccc1F 62a_100000086012_100000210326 [0,2,0,0,0,0|1,0,0]=3 14084 B17R1.6947 CCCCCSCCC(=O)c1ccccc1F 62a_100000210326_100000086012 [0,2,0,0,0,0|1,0,0]=3 14085 B17R1.6947 CCCCCSCCC(=O)c1ccccc1O 62a_100000210326_100009873196 [0,2,0,0,0,0|1,0,0]=3 14086 B17R1.6947 CCCCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210211 [0,2,0,0,0,0|1,0,0]=3 14087 B17R1.6947 CCCCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210210 [0,2,0,0,0,0|1,0,0]=3 14088 B17R1.6947 CCCCOCCNC(=O)c1ccccc1Br 34a_200000158863_100000210210 [0,2,0,0,0,0|1,0,0]=3 14089 B17R1.6947 CCCCOCCNC(=O)c1ccccc1Br 7a_200000158863_100000210211 [0,2,0,0,0,0|1,0,0]=3 14090 B17R1.6947 CCCCOCCOC(C)c1ccccc1Br 34a_100000702211_100000743108 [0,2,0,0,0,0|1,0,1]=4 14091 B17R1.6947 CCCCOCCOC(C)c1ccccc1Br 7a_100000702211_100000743108 [0,2,0,0,0,0|1,0,1]=4 14092 B17R1.6947 CCCCOCCOC(C)c1ccccc1C 34a_100000742021_100000743108 [0,2,0,0,0,0|1,0,1]=4 14093 B17R1.6947 CCCCOCCOC(C)c1ccccc1C 7a_100000742021_100000743108 [0,2,0,0,0,0|1,0,1]=4 14094 B17R1.6947 CCCCOCCOC(C)c1ccccc1Cl 34a_100000740796_100000743108 [0,2,0,0,0,0|1,0,1]=4 14095 B17R1.6947 CCCCOCCOC(C)c1ccccc1Cl 7a_100000210238_100000181259 [0,2,0,0,0,0|1,0,1]=4 14096 B17R1.6947 CCCCOCCOC(C)c1ccccc1Cl 7a_100000740796_100000743108 [0,2,0,0,0,0|1,0,1]=4 14097 B17R1.6947 CCCCOCCOC(C)c1ccccc1F 34a_100000210238_200000741388 [0,2,0,0,0,0|1,0,1]=4 14098 B17R1.6947 CCCCOCCOC(C)c1ccccc1F 34a_100000697922_100000743108 [0,2,0,0,0,0|1,0,1]=4 14099 B17R1.6947 CCCCOCCOC(C)c1ccccc1F 7a_100000210238_200000741388 [0,2,0,0,0,0|1,0,1]=4 14100 B17R1.6947 CCCCOCCOC(C)c1ccccc1F 7a_100000697922_100000743108 [0,2,0,0,0,0|1,0,1]=4 14101 B17R1.6947 CCCCOCCOC(C)c1ccccc1N 7a_100011405641_100000743108 [0,2,0,0,0,0|1,0,1]=4 14102 B17R1.6947 CCCCOCSCC(=O)c1ccccc1Br 62a_100000199116_100011995733 [0,2,0,0,0,0|1,1,0]=4 14103 B17R1.6947 CCCCOCSCC(=O)c1ccccc1C 62a_100000741374_100011995733 [0,2,0,0,0,0|1,1,0]=4 14104 B17R1.6947 CCCCOCSCC(=O)c1ccccc1C 62a_100011995733_100000741374 [0,2,0,0,0,0|1,1,0]=4 14105 B17R1.6947 CCCCOCSCC(=O)c1ccccc1Cl 62a_100000211432_100011995733 [0,2,0,0,0,0|1,1,0]=4 14106 B17R1.6947 CCCCOCSCC(=O)c1ccccc1Cl 62a_100011995733_100000211432 [0,2,0,0,0,0|1,1,0]=4 14107 B17R1.6947 CCCCOCSCC(=O)c1ccccc1F 62a_100000204681_100011995733 [0,2,0,0,0,0|1,1,0]=4 14108 B17R1.6947 CCCCOCSCC(=O)c1ccccc1F 62a_100011995733_100000204681 [0,2,0,0,0,0|1,1,0]=4 14109 B17R1.6947 CCCCOCSCC(=O)c1ccccc1O 62a_100000188908_100011995733 [0,2,0,0,0,0|1,1,0]=4 14110 B17R1.6947 CCCCOCSCC(=O)c1ccccc1O 62a_100011995733_100000188908 [0,2,0,0,0,0|1,1,0]=4 14111 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Br 11a_100025743550_100000188424 [0,2,0,0,0,0|1,0,0]=3 14112 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Br 1626a_100025743550_100000188424 [0,2,0,0,0,0|1,0,0]=3 14113 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Br 240690a_100025743550_100000188424 [0,2,0,0,0,0|1,0,0]=3 14114 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Br 527a_100025743550_100000188424 [0,2,0,0,0,0|1,0,0]=3 14115 B17R1.6947 CCCCSCCNC(=O)c1ccccc1C 11a_100025743550_100000212026 [0,2,0,0,0,0|1,0,0]=3 14116 B17R1.6947 CCCCSCCNC(=O)c1ccccc1C 1626a_100025743550_100000212026 [0,2,0,0,0,0|1,0,0]=3 14117 B17R1.6947 CCCCSCCNC(=O)c1ccccc1C 240690a_100025743550_100000212026 [0,2,0,0,0,0|1,0,0]=3 14118 B17R1.6947 CCCCSCCNC(=O)c1ccccc1C 527a_100025743550_100000212026 [0,2,0,0,0,0|1,0,0]=3 14119 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Cl 11a_100025743550_100000185844 [0,2,0,0,0,0|1,0,0]=3 14120 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Cl 1626a_100025743550_100000185844 [0,2,0,0,0,0|1,0,0]=3 14121 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Cl 240690a_100025743550_100000185844 [0,2,0,0,0,0|1,0,0]=3 14122 B17R1.6947 CCCCSCCNC(=O)c1ccccc1Cl 527a_100025743550_100000185844 [0,2,0,0,0,0|1,0,0]=3 14123 B17R1.6947 CCCCSCCNC(=O)c1ccccc1F 11a_100025743550_100000188656 [0,2,0,0,0,0|1,0,0]=3 14124 B17R1.6947 CCCCSCCNC(=O)c1ccccc1F 1626a_100025743550_100000188656 [0,2,0,0,0,0|1,0,0]=3 14125 B17R1.6947 CCCCSCCNC(=O)c1ccccc1F 240690a_100025743550_100000188656 [0,2,0,0,0,0|1,0,0]=3 14126 B17R1.6947 CCCCSCCNC(=O)c1ccccc1F 527a_100025743550_100000188656 [0,2,0,0,0,0|1,0,0]=3 14127 B17R1.6947 CCCCSCCNC(=O)c1ccccc1I 11a_100025743550_100000187884 [0,2,0,0,0,0|1,0,0]=3 14128 B17R1.6947 CCCCSCCNC(=O)c1ccccc1I 1626a_100025743550_100000187884 [0,2,0,0,0,0|1,0,0]=3 14129 B17R1.6947 CCCCSCCNC(=O)c1ccccc1I 240690a_100025743550_100000187884 [0,2,0,0,0,0|1,0,0]=3 14130 B17R1.6947 CCCCSCCNC(=O)c1ccccc1I 527a_100025743550_100000187884 [0,2,0,0,0,0|1,0,0]=3 14131 B17R1.6947 CCCCSCCNC(=O)c1ccccc1O 240690a_100025743550_100015234032 [0,2,0,0,0,0|1,0,0]=3 14132 B17R1.6947 CCCCSCCNC(=O)c1ccccc1[O-] 1626a_100025743550_100009911694 [0,2,0,0,0,0|1,0,0]=3 14133 B17R1.6947 CCCCSCCNC(=O)c1ccccc1[O-] 240690a_100025743550_100009911694 [0,2,0,0,0,0|1,0,0]=3 14134 B17R1.6947 CCCCSCCNC(=O)c1ccccc1[O-] 527a_100025743550_100009911694 [0,2,0,0,0,0|1,0,0]=3 14135 B17R1.6947 CCCCSCCOC(C)c1ccccc1Cl 7a_200000230436_100000181259 [0,2,0,0,0,0|1,0,1]=4 14136 B17R1.6947 CCCCSCCOC(C)c1ccccc1F 34a_200000230436_200000741388 [0,2,0,0,0,0|1,0,1]=4 14137 B17R1.6947 CCCCSCCOC(C)c1ccccc1F 7a_200000230436_200000741388 [0,2,0,0,0,0|1,0,1]=4 14138 B17R1.6947 CCCOCCCNC(=O)c1ccccc1Br 1626a_100011217757_100000188424 [0,2,0,0,0,0|1,0,0]=3 14139 B17R1.6947 CCCOCCCNC(=O)c1ccccc1Br 240690a_100011217757_100000188424 [0,2,0,0,0,0|1,0,0]=3 14140 B17R1.6947 CCCOCCCNC(=O)c1ccccc1Br 527a_100011217757_100000188424 [0,2,0,0,0,0|1,0,0]=3 14141 B17R1.6947 CCCOCCCNC(=O)c1ccccc1C 1626a_100011217757_100000212026 [0,2,0,0,0,0|1,0,0]=3 14142 B17R1.6947 CCCOCCCNC(=O)c1ccccc1C 240690a_100011217757_100000212026 [0,2,0,0,0,0|1,0,0]=3 14143 B17R1.6947 CCCOCCCNC(=O)c1ccccc1C 527a_100011217757_100000212026 [0,2,0,0,0,0|1,0,0]=3 14144 B17R1.6947 CCCOCCCNC(=O)c1ccccc1Cl 1626a_100011217757_100000185844 [0,2,0,0,0,0|1,0,0]=3 14145 B17R1.6947 CCCOCCCNC(=O)c1ccccc1Cl 240690a_100011217757_100000185844 [0,2,0,0,0,0|1,0,0]=3 14146 B17R1.6947 CCCOCCCNC(=O)c1ccccc1Cl 527a_100011217757_100000185844 [0,2,0,0,0,0|1,0,0]=3 14147 B17R1.6947 CCCOCCCNC(=O)c1ccccc1F 1626a_100011217757_100000188656 [0,2,0,0,0,0|1,0,0]=3 14148 B17R1.6947 CCCOCCCNC(=O)c1ccccc1F 240690a_100011217757_100000188656 [0,2,0,0,0,0|1,0,0]=3 14149 B17R1.6947 CCCOCCCNC(=O)c1ccccc1F 527a_100011217757_100000188656 [0,2,0,0,0,0|1,0,0]=3 14150 B17R1.6947 CCCOCCCNC(=O)c1ccccc1I 1626a_100011217757_100000187884 [0,2,0,0,0,0|1,0,0]=3 14151 B17R1.6947 CCCOCCCNC(=O)c1ccccc1I 240690a_100011217757_100000187884 [0,2,0,0,0,0|1,0,0]=3 14152 B17R1.6947 CCCOCCCNC(=O)c1ccccc1I 527a_100011217757_100000187884 [0,2,0,0,0,0|1,0,0]=3 14153 B17R1.6947 CCCOCCCNC(=O)c1ccccc1N 34a_200011191992_100000210303 [0,2,0,0,0,0|1,0,0]=3 14154 B17R1.6947 CCCOCCCNC(=O)c1ccccc1O 240690a_100011217757_100015234032 [0,2,0,0,0,0|1,0,0]=3 14155 B17R1.6947 CCCOCCCNC(=O)c1ccccc1[O-] 1626a_100011217757_100009911694 [0,2,0,0,0,0|1,0,0]=3 14156 B17R1.6947 CCCOCCCNC(=O)c1ccccc1[O-] 240690a_100011217757_100009911694 [0,2,0,0,0,0|1,0,0]=3 14157 B17R1.6947 CCCOCCCNC(=O)c1ccccc1[O-] 527a_100011217757_100009911694 [0,2,0,0,0,0|1,0,0]=3 14158 B17R1.6947 CCCOCCNCC(=O)c1ccccc1Br 34a_100161115042_100000199116 [0,2,0,0,0,0|2,0,0]=4 14159 B17R1.6947 CCCOCCNCC(=O)c1ccccc1C 2230a_100161115042_100000741374 [0,2,0,0,0,0|2,0,0]=4 14160 B17R1.6947 CCCOCCNCC(=O)c1ccccc1C 34a_100161115042_100000741374 [0,2,0,0,0,0|2,0,0]=4 14161 B17R1.6947 CCCOCCNCC(=O)c1ccccc1Cl 34a_100161115042_100000211432 [0,2,0,0,0,0|2,0,0]=4 14162 B17R1.6947 CCCOCCNCC(=O)c1ccccc1F 34a_100161115042_100000204681 [0,2,0,0,0,0|2,0,0]=4 14163 B17R1.6947 CCCOCCOCC(=O)c1ccccc1Br 34a_100000752267_100000199116 [0,2,0,0,0,0|1,0,0]=3 14164 B17R1.6947 CCCOCCOCC(=O)c1ccccc1C 34a_100000752267_100000741374 [0,2,0,0,0,0|1,0,0]=3 14165 B17R1.6947 CCCOCCOCC(=O)c1ccccc1C 7a_100000752267_100000741374 [0,2,0,0,0,0|1,0,0]=3 14166 B17R1.6947 CCCOCCOCC(=O)c1ccccc1Cl 34a_100000752267_100000211432 [0,2,0,0,0,0|1,0,0]=3 14167 B17R1.6947 CCCOCCOCC(=O)c1ccccc1F 34a_100000752267_100000204681 [0,2,0,0,0,0|1,0,0]=3 14168 B17R1.6947 CCCOCCOCC(=O)c1ccccc1F 7a_100000752267_100000204681 [0,2,0,0,0,0|1,0,0]=3 14169 B17R1.6947 CCCOCCOCC(=O)c1ccccc1O 7a_100000752267_100000188908 [0,2,0,0,0,0|1,0,0]=3 14170 B17R1.6947 CCCOCCSCC(=O)c1ccccc1Br 62a_100000199116_100011215938 [0,2,0,0,0,0|1,1,0]=4 14171 B17R1.6947 CCCOCCSCC(=O)c1ccccc1C 62a_100000741374_100011215938 [0,2,0,0,0,0|1,1,0]=4 14172 B17R1.6947 CCCOCCSCC(=O)c1ccccc1C 62a_100011215938_100000741374 [0,2,0,0,0,0|1,1,0]=4 14173 B17R1.6947 CCCOCCSCC(=O)c1ccccc1Cl 62a_100000211432_100011215938 [0,2,0,0,0,0|1,1,0]=4 14174 B17R1.6947 CCCOCCSCC(=O)c1ccccc1Cl 62a_100011215938_100000211432 [0,2,0,0,0,0|1,1,0]=4 14175 B17R1.6947 CCCOCCSCC(=O)c1ccccc1F 62a_100000204681_100011215938 [0,2,0,0,0,0|1,1,0]=4 14176 B17R1.6947 CCCOCCSCC(=O)c1ccccc1F 62a_100011215938_100000204681 [0,2,0,0,0,0|1,1,0]=4 14177 B17R1.6947 CCCOCCSCC(=O)c1ccccc1O 62a_100000188908_100011215938 [0,2,0,0,0,0|1,1,0]=4 14178 B17R1.6947 CCCOCCSCC(=O)c1ccccc1O 62a_100011215938_100000188908 [0,2,0,0,0,0|1,1,0]=4 14179 B17R1.6947 CCCSCCNCC(=O)c1ccccc1C 2230a_100020603323_100000741374 [0,2,0,0,0,0|2,0,0]=4 14180 B17R1.6947 CCCSCCOCC(=O)c1ccccc1Br 34a_200000230433_100000199116 [0,2,0,0,0,0|1,0,0]=3 14181 B17R1.6947 CCCSCCOCC(=O)c1ccccc1C 34a_200000230433_100000741374 [0,2,0,0,0,0|1,0,0]=3 14182 B17R1.6947 CCCSCCOCC(=O)c1ccccc1C 7a_200000230433_100000741374 [0,2,0,0,0,0|1,0,0]=3 14183 B17R1.6947 CCCSCCOCC(=O)c1ccccc1Cl 34a_200000230433_100000211432 [0,2,0,0,0,0|1,0,0]=3 14184 B17R1.6947 CCCSCCOCC(=O)c1ccccc1F 34a_200000230433_100000204681 [0,2,0,0,0,0|1,0,0]=3 14185 B17R1.6947 CCCSCCOCC(=O)c1ccccc1F 7a_200000230433_100000204681 [0,2,0,0,0,0|1,0,0]=3 14186 B17R1.6947 CCCSCCOCC(=O)c1ccccc1O 7a_200000230433_100000188908 [0,2,0,0,0,0|1,0,0]=3 14187 B17R1.6947 CCOCCCNCC(=O)c1ccccc1Br 34a_100000210961_100000199116 [0,2,0,0,0,0|2,0,0]=4 14188 B17R1.6947 CCOCCCNCC(=O)c1ccccc1C 2230a_100000210961_100000741374 [0,2,0,0,0,0|2,0,0]=4 14189 B17R1.6947 CCOCCCNCC(=O)c1ccccc1C 34a_100000210961_100000741374 [0,2,0,0,0,0|2,0,0]=4 14190 B17R1.6947 CCOCCCNCC(=O)c1ccccc1Cl 34a_100000210961_100000211432 [0,2,0,0,0,0|2,0,0]=4 14191 B17R1.6947 CCOCCCNCC(=O)c1ccccc1F 34a_100000210961_100000204681 [0,2,0,0,0,0|2,0,0]=4 14192 B17R1.6947 CCOCCCOCC(=O)c1ccccc1Br 34a_100000757476_100000199116 [0,2,0,0,0,0|1,0,0]=3 14193 B17R1.6947 CCOCCCOCC(=O)c1ccccc1C 34a_100000757476_100000741374 [0,2,0,0,0,0|1,0,0]=3 14194 B17R1.6947 CCOCCCOCC(=O)c1ccccc1C 7a_100000757476_100000741374 [0,2,0,0,0,0|1,0,0]=3 14195 B17R1.6947 CCOCCCOCC(=O)c1ccccc1Cl 34a_100000757476_100000211432 [0,2,0,0,0,0|1,0,0]=3 14196 B17R1.6947 CCOCCCOCC(=O)c1ccccc1F 34a_100000757476_100000204681 [0,2,0,0,0,0|1,0,0]=3 14197 B17R1.6947 CCOCCCOCC(=O)c1ccccc1F 7a_100000757476_100000204681 [0,2,0,0,0,0|1,0,0]=3 14198 B17R1.6947 CCOCCCOCC(=O)c1ccccc1O 7a_100000757476_100000188908 [0,2,0,0,0,0|1,0,0]=3 14199 B17R1.6947 CCOCCCSCC(=O)c1ccccc1Br 62a_100000199116_100012232248 [0,2,0,0,0,0|1,1,0]=4 14200 B17R1.6947 CCOCCCSCC(=O)c1ccccc1C 62a_100000741374_100012232248 [0,2,0,0,0,0|1,1,0]=4 14201 B17R1.6947 CCOCCCSCC(=O)c1ccccc1C 62a_100012232248_100000741374 [0,2,0,0,0,0|1,1,0]=4 14202 B17R1.6947 CCOCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100012232248 [0,2,0,0,0,0|1,1,0]=4 14203 B17R1.6947 CCOCCCSCC(=O)c1ccccc1Cl 62a_100012232248_100000211432 [0,2,0,0,0,0|1,1,0]=4 14204 B17R1.6947 CCOCCCSCC(=O)c1ccccc1F 62a_100000204681_100012232248 [0,2,0,0,0,0|1,1,0]=4 14205 B17R1.6947 CCOCCCSCC(=O)c1ccccc1F 62a_100012232248_100000204681 [0,2,0,0,0,0|1,1,0]=4 14206 B17R1.6947 CCOCCCSCC(=O)c1ccccc1O 62a_100000188908_100012232248 [0,2,0,0,0,0|1,1,0]=4 14207 B17R1.6947 CCOCCCSCC(=O)c1ccccc1O 62a_100012232248_100000188908 [0,2,0,0,0,0|1,1,0]=4 14208 B17R1.6947 CCOCCNCCC(=O)c1ccccc1F 2230a_102516460346_100000086012 [0,2,0,0,0,0|2,0,0]=4 14209 B17R1.6947 CCOCCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011211534 [0,2,0,0,0,0|2,0,0]=4 14210 B17R1.6947 CCOCCOCCC(=O)c1ccccc1C 1458a_100000212026_100011211534 [0,2,0,0,0,0|2,0,0]=4 14211 B17R1.6947 CCOCCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011211534 [0,2,0,0,0,0|2,0,0]=4 14212 B17R1.6947 CCOCCOCCC(=O)c1ccccc1F 1458a_100000188656_100011211534 [0,2,0,0,0,0|2,0,0]=4 14213 B17R1.6947 CCOCCOCCC(=O)c1ccccc1F 7a_100000210136_100000086012 [0,2,0,0,0,0|2,0,0]=4 14214 B17R1.6947 CCOCCOCCC(=O)c1ccccc1I 1458a_100000187884_100011211534 [0,2,0,0,0,0|2,0,0]=4 14215 B17R1.6947 CCOCCOCCC(=O)c1ccccc1O 1458a_100015234032_100011211534 [0,2,0,0,0,0|2,0,0]=4 14216 B17R1.6947 CCOCCOCCC(=O)c1ccccc1O 7a_100000210136_100009873196 [0,2,0,0,0,0|2,0,0]=4 14217 B17R1.6947 CCOCCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011211534 [0,2,0,0,0,0|2,0,0]=4 14218 B17R1.6947 CCOCCSCCC(=O)c1ccccc1F 62a_100000086012_100011215890 [0,2,0,0,0,0|2,0,0]=4 14219 B17R1.6947 CCOCCSCCC(=O)c1ccccc1F 62a_100000210147_100000086012 [0,2,0,0,0,0|2,0,0]=4 14220 B17R1.6947 CCOCCSCCC(=O)c1ccccc1O 62a_100000210147_100009873196 [0,2,0,0,0,0|2,0,0]=4 14221 B17R1.6947 CCSCCCOCC(=O)c1ccccc1Br 34a_100011216438_100000199116 [0,2,0,0,0,0|1,0,0]=3 14222 B17R1.6947 CCSCCCOCC(=O)c1ccccc1C 34a_100011216438_100000741374 [0,2,0,0,0,0|1,0,0]=3 14223 B17R1.6947 CCSCCCOCC(=O)c1ccccc1C 7a_100011216438_100000741374 [0,2,0,0,0,0|1,0,0]=3 14224 B17R1.6947 CCSCCCOCC(=O)c1ccccc1Cl 34a_100011216438_100000211432 [0,2,0,0,0,0|1,0,0]=3 14225 B17R1.6947 CCSCCCOCC(=O)c1ccccc1F 34a_100011216438_100000204681 [0,2,0,0,0,0|1,0,0]=3 14226 B17R1.6947 CCSCCCOCC(=O)c1ccccc1F 7a_100011216438_100000204681 [0,2,0,0,0,0|1,0,0]=3 14227 B17R1.6947 CCSCCCOCC(=O)c1ccccc1O 7a_100011216438_100000188908 [0,2,0,0,0,0|1,0,0]=3 14228 B17R1.6947 CCSCCNCCC(=O)c1ccccc1F 2230a_100000106463_100000086012 [0,2,0,0,0,0|2,0,0]=4 14229 B17R1.6947 CCSCCOCCC(=O)c1ccccc1F 7a_100000212035_100000086012 [0,2,0,0,0,0|2,0,0]=4 14230 B17R1.6947 CCSCCOCCC(=O)c1ccccc1O 7a_100000212035_100009873196 [0,2,0,0,0,0|2,0,0]=4 14231 B17R1.6947 CCSCCSCCC(=O)c1ccccc1F 62a_100000086012_100000757381 [0,2,0,0,0,0|2,0,0]=4 14232 B17R1.6947 CCSCCSCCC(=O)c1ccccc1F 62a_100000757381_100000086012 [0,2,0,0,0,0|2,0,0]=4 14233 B17R1.6947 CCSCCSCCC(=O)c1ccccc1O 62a_100000757381_100009873196 [0,2,0,0,0,0|2,0,0]=4 14234 B17R1.6947 CNCCCCCOC(C)c1ccccc1F 34a_100000722520_200000741388 [0,2,0,0,0,0|1,0,1]=4 14235 B17R1.6947 COCCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100011998445 [0,2,0,0,0,0|1,0,0]=3 14236 B17R1.6947 COCCCCCCC(=O)c1ccccc1C 1458a_100000212026_100011998445 [0,2,0,0,0,0|1,0,0]=3 14237 B17R1.6947 COCCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100011998445 [0,2,0,0,0,0|1,0,0]=3 14238 B17R1.6947 COCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100011998445 [0,2,0,0,0,0|1,0,0]=3 14239 B17R1.6947 COCCCCCCC(=O)c1ccccc1I 1458a_100000187884_100011998445 [0,2,0,0,0,0|1,0,0]=3 14240 B17R1.6947 COCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100011998445 [0,2,0,0,0,0|1,0,0]=3 14241 B17R1.6947 COCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011998445 [0,2,0,0,0,0|1,0,0]=3 14242 B17R1.6947 COCCCCCNC(=O)c1ccccc1Br 11a_100000747528_100000188424 [0,2,0,0,0,0|1,0,0]=3 14243 B17R1.6947 COCCCCCNC(=O)c1ccccc1Br 1626a_100000747528_100000188424 [0,2,0,0,0,0|1,0,0]=3 14244 B17R1.6947 COCCCCCNC(=O)c1ccccc1Br 240690a_100000747528_100000188424 [0,2,0,0,0,0|1,0,0]=3 14245 B17R1.6947 COCCCCCNC(=O)c1ccccc1Br 527a_100000747528_100000188424 [0,2,0,0,0,0|1,0,0]=3 14246 B17R1.6947 COCCCCCNC(=O)c1ccccc1C 11a_100000747528_100000212026 [0,2,0,0,0,0|1,0,0]=3 14247 B17R1.6947 COCCCCCNC(=O)c1ccccc1C 1626a_100000747528_100000212026 [0,2,0,0,0,0|1,0,0]=3 14248 B17R1.6947 COCCCCCNC(=O)c1ccccc1C 240690a_100000747528_100000212026 [0,2,0,0,0,0|1,0,0]=3 14249 B17R1.6947 COCCCCCNC(=O)c1ccccc1C 527a_100000747528_100000212026 [0,2,0,0,0,0|1,0,0]=3 14250 B17R1.6947 COCCCCCNC(=O)c1ccccc1Cl 11a_100000747528_100000185844 [0,2,0,0,0,0|1,0,0]=3 14251 B17R1.6947 COCCCCCNC(=O)c1ccccc1Cl 1626a_100000747528_100000185844 [0,2,0,0,0,0|1,0,0]=3 14252 B17R1.6947 COCCCCCNC(=O)c1ccccc1Cl 240690a_100000747528_100000185844 [0,2,0,0,0,0|1,0,0]=3 14253 B17R1.6947 COCCCCCNC(=O)c1ccccc1Cl 527a_100000747528_100000185844 [0,2,0,0,0,0|1,0,0]=3 14254 B17R1.6947 COCCCCCNC(=O)c1ccccc1F 11a_100000747528_100000188656 [0,2,0,0,0,0|1,0,0]=3 14255 B17R1.6947 COCCCCCNC(=O)c1ccccc1F 1626a_100000747528_100000188656 [0,2,0,0,0,0|1,0,0]=3 14256 B17R1.6947 COCCCCCNC(=O)c1ccccc1F 240690a_100000747528_100000188656 [0,2,0,0,0,0|1,0,0]=3 14257 B17R1.6947 COCCCCCNC(=O)c1ccccc1F 527a_100000747528_100000188656 [0,2,0,0,0,0|1,0,0]=3 14258 B17R1.6947 COCCCCCNC(=O)c1ccccc1I 11a_100000747528_100000187884 [0,2,0,0,0,0|1,0,0]=3 14259 B17R1.6947 COCCCCCNC(=O)c1ccccc1I 1626a_100000747528_100000187884 [0,2,0,0,0,0|1,0,0]=3 14260 B17R1.6947 COCCCCCNC(=O)c1ccccc1I 240690a_100000747528_100000187884 [0,2,0,0,0,0|1,0,0]=3 14261 B17R1.6947 COCCCCCNC(=O)c1ccccc1I 527a_100000747528_100000187884 [0,2,0,0,0,0|1,0,0]=3 14262 B17R1.6947 COCCCCCNC(=O)c1ccccc1O 240690a_100000747528_100015234032 [0,2,0,0,0,0|1,0,0]=3 14263 B17R1.6947 COCCCCCNC(=O)c1ccccc1[O-] 1626a_100000747528_100009911694 [0,2,0,0,0,0|1,0,0]=3 14264 B17R1.6947 COCCCCCNC(=O)c1ccccc1[O-] 240690a_100000747528_100009911694 [0,2,0,0,0,0|1,0,0]=3 14265 B17R1.6947 COCCCCCNC(=O)c1ccccc1[O-] 527a_100000747528_100009911694 [0,2,0,0,0,0|1,0,0]=3 14266 B17R1.6947 COCCCCOCC(=O)c1ccccc1Br 34a_100000740925_100000199116 [0,2,0,0,0,0|1,0,0]=3 14267 B17R1.6947 COCCCCOCC(=O)c1ccccc1C 34a_100000740925_100000741374 [0,2,0,0,0,0|1,0,0]=3 14268 B17R1.6947 COCCCCOCC(=O)c1ccccc1Cl 34a_100000740925_100000211432 [0,2,0,0,0,0|1,0,0]=3 14269 B17R1.6947 COCCCCOCC(=O)c1ccccc1F 34a_100000740925_100000204681 [0,2,0,0,0,0|1,0,0]=3 14270 B17R1.6947 COCCCCSCC(=O)c1ccccc1Br 62a_100000199116_100000730899 [0,2,0,0,0,0|1,1,0]=4 14271 B17R1.6947 COCCCCSCC(=O)c1ccccc1C 62a_100000730899_100000741374 [0,2,0,0,0,0|1,1,0]=4 14272 B17R1.6947 COCCCCSCC(=O)c1ccccc1C 62a_100000741374_100000730899 [0,2,0,0,0,0|1,1,0]=4 14273 B17R1.6947 COCCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000730899 [0,2,0,0,0,0|1,1,0]=4 14274 B17R1.6947 COCCCCSCC(=O)c1ccccc1Cl 62a_100000730899_100000211432 [0,2,0,0,0,0|1,1,0]=4 14275 B17R1.6947 COCCCCSCC(=O)c1ccccc1F 62a_100000204681_100000730899 [0,2,0,0,0,0|1,1,0]=4 14276 B17R1.6947 COCCCCSCC(=O)c1ccccc1F 62a_100000730899_100000204681 [0,2,0,0,0,0|1,1,0]=4 14277 B17R1.6947 COCCCCSCC(=O)c1ccccc1O 62a_100000188908_100000730899 [0,2,0,0,0,0|1,1,0]=4 14278 B17R1.6947 COCCCCSCC(=O)c1ccccc1O 62a_100000730899_100000188908 [0,2,0,0,0,0|1,1,0]=4 14279 B17R1.6947 COCCCSCCC(=O)c1ccccc1F 62a_100000086012_100000709357 [0,2,0,0,0,0|2,0,0]=4 14280 B17R1.6947 COCCCSCCC(=O)c1ccccc1F 62a_100000709357_100000086012 [0,2,0,0,0,0|2,0,0]=4 14281 B17R1.6947 COCCCSCCC(=O)c1ccccc1O 62a_100000709357_100009873196 [0,2,0,0,0,0|2,0,0]=4 14282 B17R1.6947 COCCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100011201679 [0,2,0,0,0,0|2,0,0]=4 14283 B17R1.6947 COCCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100011201679 [0,2,0,0,0,0|2,0,0]=4 14284 B17R1.6947 COCCOCCCC(=O)c1ccccc1Br 1458a_100000188424_100011216529 [0,2,0,0,0,0|2,0,0]=4 14285 B17R1.6947 COCCOCCCC(=O)c1ccccc1C 1458a_100000212026_100011216529 [0,2,0,0,0,0|2,0,0]=4 14286 B17R1.6947 COCCOCCCC(=O)c1ccccc1Cl 1458a_100000185844_100011216529 [0,2,0,0,0,0|2,0,0]=4 14287 B17R1.6947 COCCOCCCC(=O)c1ccccc1F 1458a_100000188656_100011216529 [0,2,0,0,0,0|2,0,0]=4 14288 B17R1.6947 COCCOCCCC(=O)c1ccccc1I 1458a_100000187884_100011216529 [0,2,0,0,0,0|2,0,0]=4 14289 B17R1.6947 COCCOCCCC(=O)c1ccccc1O 1458a_100015234032_100011216529 [0,2,0,0,0,0|2,0,0]=4 14290 B17R1.6947 COCCOCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011216529 [0,2,0,0,0,0|2,0,0]=4 14291 B17R1.6947 COCCOCCNC(=O)c1ccccc1Br 11a_100000745349_100000188424 [0,2,0,0,0,0|2,0,0]=4 14292 B17R1.6947 COCCOCCNC(=O)c1ccccc1Br 1626a_100000745349_100000188424 [0,2,0,0,0,0|2,0,0]=4 14293 B17R1.6947 COCCOCCNC(=O)c1ccccc1Br 240690a_100000745349_100000188424 [0,2,0,0,0,0|2,0,0]=4 14294 B17R1.6947 COCCOCCNC(=O)c1ccccc1Br 34a_200000158863_100011201679 [0,2,0,0,0,0|2,0,0]=4 14295 B17R1.6947 COCCOCCNC(=O)c1ccccc1Br 527a_100000745349_100000188424 [0,2,0,0,0,0|2,0,0]=4 14296 B17R1.6947 COCCOCCNC(=O)c1ccccc1Br 7a_200000158863_100000233755 [0,2,0,0,0,0|2,0,0]=4 14297 B17R1.6947 COCCOCCNC(=O)c1ccccc1C 11a_100000745349_100000212026 [0,2,0,0,0,0|2,0,0]=4 14298 B17R1.6947 COCCOCCNC(=O)c1ccccc1C 1626a_100000745349_100000212026 [0,2,0,0,0,0|2,0,0]=4 14299 B17R1.6947 COCCOCCNC(=O)c1ccccc1C 240690a_100000745349_100000212026 [0,2,0,0,0,0|2,0,0]=4 14300 B17R1.6947 COCCOCCNC(=O)c1ccccc1C 527a_100000745349_100000212026 [0,2,0,0,0,0|2,0,0]=4 14301 B17R1.6947 COCCOCCNC(=O)c1ccccc1Cl 11a_100000745349_100000185844 [0,2,0,0,0,0|2,0,0]=4 14302 B17R1.6947 COCCOCCNC(=O)c1ccccc1Cl 1626a_100000745349_100000185844 [0,2,0,0,0,0|2,0,0]=4 14303 B17R1.6947 COCCOCCNC(=O)c1ccccc1Cl 240690a_100000745349_100000185844 [0,2,0,0,0,0|2,0,0]=4 14304 B17R1.6947 COCCOCCNC(=O)c1ccccc1Cl 527a_100000745349_100000185844 [0,2,0,0,0,0|2,0,0]=4 14305 B17R1.6947 COCCOCCNC(=O)c1ccccc1F 11a_100000745349_100000188656 [0,2,0,0,0,0|2,0,0]=4 14306 B17R1.6947 COCCOCCNC(=O)c1ccccc1F 1626a_100000745349_100000188656 [0,2,0,0,0,0|2,0,0]=4 14307 B17R1.6947 COCCOCCNC(=O)c1ccccc1F 240690a_100000745349_100000188656 [0,2,0,0,0,0|2,0,0]=4 14308 B17R1.6947 COCCOCCNC(=O)c1ccccc1F 527a_100000745349_100000188656 [0,2,0,0,0,0|2,0,0]=4 14309 B17R1.6947 COCCOCCNC(=O)c1ccccc1I 11a_100000745349_100000187884 [0,2,0,0,0,0|2,0,0]=4 14310 B17R1.6947 COCCOCCNC(=O)c1ccccc1I 1626a_100000745349_100000187884 [0,2,0,0,0,0|2,0,0]=4 14311 B17R1.6947 COCCOCCNC(=O)c1ccccc1I 240690a_100000745349_100000187884 [0,2,0,0,0,0|2,0,0]=4 14312 B17R1.6947 COCCOCCNC(=O)c1ccccc1I 527a_100000745349_100000187884 [0,2,0,0,0,0|2,0,0]=4 14313 B17R1.6947 COCCOCCNC(=O)c1ccccc1O 240690a_100000745349_100015234032 [0,2,0,0,0,0|2,0,0]=4 14314 B17R1.6947 COCCOCCNC(=O)c1ccccc1[O-] 1626a_100000745349_100009911694 [0,2,0,0,0,0|2,0,0]=4 14315 B17R1.6947 COCCOCCNC(=O)c1ccccc1[O-] 240690a_100000745349_100009911694 [0,2,0,0,0,0|2,0,0]=4 14316 B17R1.6947 COCCOCCNC(=O)c1ccccc1[O-] 527a_100000745349_100009911694 [0,2,0,0,0,0|2,0,0]=4 14317 B17R1.6947 CSCCCCOCC(=O)c1ccccc1Br 34a_100011217163_100000199116 [0,2,0,0,0,0|1,0,0]=3 14318 B17R1.6947 CSCCCCOCC(=O)c1ccccc1C 34a_100011217163_100000741374 [0,2,0,0,0,0|1,0,0]=3 14319 B17R1.6947 CSCCCCOCC(=O)c1ccccc1C 7a_100011217163_100000741374 [0,2,0,0,0,0|1,0,0]=3 14320 B17R1.6947 CSCCCCOCC(=O)c1ccccc1Cl 34a_100011217163_100000211432 [0,2,0,0,0,0|1,0,0]=3 14321 B17R1.6947 CSCCCCOCC(=O)c1ccccc1F 34a_100011217163_100000204681 [0,2,0,0,0,0|1,0,0]=3 14322 B17R1.6947 CSCCCCOCC(=O)c1ccccc1F 7a_100011217163_100000204681 [0,2,0,0,0,0|1,0,0]=3 14323 B17R1.6947 CSCCCCOCC(=O)c1ccccc1O 7a_100011217163_100000188908 [0,2,0,0,0,0|1,0,0]=3 14324 B17R1.6947 CSCCCNCCC(=O)c1ccccc1F 2230a_100000749238_100000086012 [0,2,0,0,0,0|2,0,0]=4 14325 B17R1.6947 CSCCCOCCC(=O)c1ccccc1F 7a_100000690336_100000086012 [0,2,0,0,0,0|2,0,0]=4 14326 B17R1.6947 CSCCCOCCC(=O)c1ccccc1O 7a_100000690336_100009873196 [0,2,0,0,0,0|2,0,0]=4 14327 B17R1.6947 CSCCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000751147 [0,2,0,0,0,0|2,0,0]=4 14328 B17R1.6947 CSCCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000212216 [0,2,0,0,0,0|2,0,0]=4 14329 B17R1.6947 CSCCOCCNC(=O)c1ccccc1Br 34a_200000158863_100000212216 [0,2,0,0,0,0|2,0,0]=4 14330 B17R1.6947 CSCCOCCNC(=O)c1ccccc1Br 7a_200000158863_100000212216 [0,2,0,0,0,0|2,0,0]=4 14331 B17R1.6947 CSCOCCCNC(=O)c1ccccc1N 34a_200011191992_100011218213 [0,2,0,0,0,0|2,0,0]=4 14332 B17R1.6947 Cc1ccccc1C(=O)CCCCCCC#N 1458a_100000212026_100009813337 [0,2,0,0,0,0|1,0,1]=4 14333 B17R1.6947 Cc1ccccc1C(=O)CCCCCCCO 1458a_100000212026_100000760002 [0,2,0,0,0,0|1,0,0]=3 14334 B17R1.6947 Cc1ccccc1C(=O)CNCCCCCO 2230a_100000762737_100000741374 [0,2,0,0,0,0|2,0,0]=4 14335 B17R1.6947 Cc1ccccc1C(=O)CNCCCCCO 34a_100000762737_100000741374 [0,2,0,0,0,0|2,0,0]=4 14336 B17R1.6947 Cc1ccccc1C(=O)COCCCCCBr 34a_100000746331_100000741374 [0,2,0,0,0,0|1,0,0]=3 14337 B17R1.6947 Cc1ccccc1C(=O)COCCCCCBr 7a_100000746331_100000741374 [0,2,0,0,0,0|1,0,0]=3 14338 B17R1.6947 Cc1ccccc1C(=O)COCCCCCCl 34a_100000746330_100000741374 [0,2,0,0,0,0|1,0,0]=3 14339 B17R1.6947 Cc1ccccc1C(=O)COCCCCCCl 7a_100000746330_100000741374 [0,2,0,0,0,0|1,0,0]=3 14340 B17R1.6947 Cc1ccccc1C(=O)COCCCCCI 34a_200012148887_100000741374 [0,2,0,0,0,0|1,0,0]=3 14341 B17R1.6947 Cc1ccccc1C(=O)COCCCCCI 7a_200012148887_100000741374 [0,2,0,0,0,0|1,0,0]=3 14342 B17R1.6947 Cc1ccccc1C(=O)COCCCCCN 34a_100000762737_100000741374 [0,2,0,0,0,0|1,0,0]=3 14343 B17R1.6947 Cc1ccccc1C(=O)COCCOCCBr 34a_100000692535_100000741374 [0,2,0,0,0,0|2,0,0]=4 14344 B17R1.6947 Cc1ccccc1C(=O)COCCOCCBr 7a_100000692535_100000741374 [0,2,0,0,0,0|2,0,0]=4 14345 B17R1.6947 Cc1ccccc1C(=O)COCCOCCCl 34a_100011215305_100000741374 [0,2,0,0,0,0|2,0,0]=4 14346 B17R1.6947 Cc1ccccc1C(=O)COCCOCCCl 7a_100011215305_100000741374 [0,2,0,0,0,0|2,0,0]=4 14347 B17R1.6947 Cc1ccccc1C(=O)COCCOCCF 34a_200015357709_100000741374 [0,2,0,0,0,0|2,0,0]=4 14348 B17R1.6947 Cc1ccccc1C(=O)COCCOCCF 7a_200015357709_100000741374 [0,2,0,0,0,0|2,0,0]=4 14349 B17R1.6947 Cc1ccccc1C(=O)COCCOCCI 34a_100012149058_100000741374 [0,2,0,0,0,0|2,0,0]=4 14350 B17R1.6947 Cc1ccccc1C(=O)COCCOCCI 7a_100012149058_100000741374 [0,2,0,0,0,0|2,0,0]=4 14351 B17R1.6947 Cc1ccccc1C(=O)COCCOCCN 34a_100000211614_100000741374 [0,2,0,0,0,0|2,0,0]=4 14352 B17R1.6947 Cc1ccccc1C(=O)CSCCCCCF 62a_100000729378_100000741374 [0,2,0,0,0,0|1,1,0]=4 14353 B17R1.6947 Cc1ccccc1C(=O)CSCCCCCF 62a_100000741374_100000729378 [0,2,0,0,0,0|1,1,0]=4 14354 B17R1.6947 Cc1ccccc1C(=O)CSCCCCCO 62a_100000741374_100000746330 [0,2,0,0,0,0|1,1,0]=4 14355 B17R1.6947 Cc1ccccc1C(=O)CSCCCCCO 62a_100000746330_100000741374 [0,2,0,0,0,0|1,1,0]=4 14356 B17R1.6947 Cc1ccccc1C(=O)NCCCCCC#N 11a_100000061152_100000212026 [0,2,0,0,0,0|1,0,1]=4 14357 B17R1.6947 Cc1ccccc1C(=O)NCCCCCC#N 1626a_100000061152_100000212026 [0,2,0,0,0,0|1,0,1]=4 14358 B17R1.6947 Cc1ccccc1C(=O)NCCCCCC#N 240690a_100000061152_100000212026 [0,2,0,0,0,0|1,0,1]=4 14359 B17R1.6947 Cc1ccccc1C(=O)NCCCCCC#N 527a_100000061152_100000212026 [0,2,0,0,0,0|1,0,1]=4 14360 B17R1.6947 Cc1ccccc1C(=O)NCCCCCCO 240690a_100000686447_100000212026 [0,2,0,0,0,0|1,0,0]=3 14361 B17R1.6947 Cc1ccccc1C(=O)NCCCCCCO 527a_100000686447_100000212026 [0,2,0,0,0,0|1,0,0]=3 14362 B17R1.6947 Cc1ccccc1C(C)OCCCCCCF 34a_100000742021_100015922095 [0,2,0,0,0,0|1,0,1]=4 14363 B17R1.6947 Cc1ccccc1C(C)OCCCCCCF 7a_100000742021_100015922095 [0,2,0,0,0,0|1,0,1]=4 14364 B17R1.6947 Cc1ccccc1C(C)OCCCCCCO 34a_100000742021_100000766143 [0,2,0,0,0,0|1,0,1]=4 14365 B17R1.6947 Cc1ccccc1C(C)OCCCCCCO 7a_100000742021_100000766143 [0,2,0,0,0,0|1,0,1]=4 14366 B17R1.6947 N#CCCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100009813337 [0,2,0,0,0,0|1,0,1]=4 14367 B17R1.6947 N#CCCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100009813337 [0,2,0,0,0,0|1,0,1]=4 14368 B17R1.6947 N#CCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100009813337 [0,2,0,0,0,0|1,0,1]=4 14369 B17R1.6947 N#CCCCCCCC(=O)c1ccccc1I 1458a_100000187884_100009813337 [0,2,0,0,0,0|1,0,1]=4 14370 B17R1.6947 N#CCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100009813337 [0,2,0,0,0,0|1,0,1]=4 14371 B17R1.6947 N#CCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100009813337 [0,2,0,0,0,0|1,0,1]=4 14372 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Br 11a_100000061152_100000188424 [0,2,0,0,0,0|1,0,1]=4 14373 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Br 1626a_100000061152_100000188424 [0,2,0,0,0,0|1,0,1]=4 14374 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Br 240690a_100000061152_100000188424 [0,2,0,0,0,0|1,0,1]=4 14375 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Br 527a_100000061152_100000188424 [0,2,0,0,0,0|1,0,1]=4 14376 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Cl 11a_100000061152_100000185844 [0,2,0,0,0,0|1,0,1]=4 14377 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Cl 1626a_100000061152_100000185844 [0,2,0,0,0,0|1,0,1]=4 14378 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Cl 240690a_100000061152_100000185844 [0,2,0,0,0,0|1,0,1]=4 14379 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1Cl 527a_100000061152_100000185844 [0,2,0,0,0,0|1,0,1]=4 14380 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1F 11a_100000061152_100000188656 [0,2,0,0,0,0|1,0,1]=4 14381 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1F 1626a_100000061152_100000188656 [0,2,0,0,0,0|1,0,1]=4 14382 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1F 240690a_100000061152_100000188656 [0,2,0,0,0,0|1,0,1]=4 14383 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1F 527a_100000061152_100000188656 [0,2,0,0,0,0|1,0,1]=4 14384 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1I 11a_100000061152_100000187884 [0,2,0,0,0,0|1,0,1]=4 14385 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1I 1626a_100000061152_100000187884 [0,2,0,0,0,0|1,0,1]=4 14386 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1I 240690a_100000061152_100000187884 [0,2,0,0,0,0|1,0,1]=4 14387 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1I 527a_100000061152_100000187884 [0,2,0,0,0,0|1,0,1]=4 14388 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1O 240690a_100000061152_100015234032 [0,2,0,0,0,0|1,0,1]=4 14389 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1[O-] 1626a_100000061152_100009911694 [0,2,0,0,0,0|1,0,1]=4 14390 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1[O-] 240690a_100000061152_100009911694 [0,2,0,0,0,0|1,0,1]=4 14391 B17R1.6947 N#CCCCCCNC(=O)c1ccccc1[O-] 527a_100000061152_100009911694 [0,2,0,0,0,0|1,0,1]=4 14392 B17R1.6947 NCCCCCOCC(=O)c1ccccc1Br 34a_100000762737_100000199116 [0,2,0,0,0,0|1,0,0]=3 14393 B17R1.6947 NCCCCCOCC(=O)c1ccccc1Cl 34a_100000762737_100000211432 [0,2,0,0,0,0|1,0,0]=3 14394 B17R1.6947 NCCCCCOCC(=O)c1ccccc1F 34a_100000762737_100000204681 [0,2,0,0,0,0|1,0,0]=3 14395 B17R1.6947 NCCOCCOCC(=O)c1ccccc1Br 34a_100000211614_100000199116 [0,2,0,0,0,0|2,0,0]=4 14396 B17R1.6947 NCCOCCOCC(=O)c1ccccc1Cl 34a_100000211614_100000211432 [0,2,0,0,0,0|2,0,0]=4 14397 B17R1.6947 NCCOCCOCC(=O)c1ccccc1F 34a_100000211614_100000204681 [0,2,0,0,0,0|2,0,0]=4 14398 B17R1.6947 Nc1ccccc1C(=O)NCCCOCCF 34a_200011191992_100011217306 [0,2,0,0,0,0|2,0,0]=4 14399 B17R1.6947 Nc1ccccc1C(=O)NCCCOCCO 34a_200011191992_100000211926 [0,2,0,0,0,0|2,0,0]=4 14400 B17R1.6947 O=C(CCCCCCCO)c1ccccc1Br 1458a_100000188424_100000760002 [0,2,0,0,0,0|1,0,0]=3 14401 B17R1.6947 O=C(CCCCCCCO)c1ccccc1Cl 1458a_100000185844_100000760002 [0,2,0,0,0,0|1,0,0]=3 14402 B17R1.6947 O=C(CCCCCCCO)c1ccccc1F 1458a_100000188656_100000760002 [0,2,0,0,0,0|1,0,0]=3 14403 B17R1.6947 O=C(CCCCCCCO)c1ccccc1I 1458a_100000187884_100000760002 [0,2,0,0,0,0|1,0,0]=3 14404 B17R1.6947 O=C(CCCCCCCO)c1ccccc1O 1458a_100015234032_100000760002 [0,2,0,0,0,0|1,0,0]=3 14405 B17R1.6947 O=C(CCCCCCCO)c1ccccc1[O-] 1458a_100009911694_100000760002 [0,2,0,0,0,0|1,0,0]=3 14406 B17R1.6947 O=C(CCNCCCCO)c1ccccc1F 2230a_100000750430_100000086012 [0,2,0,0,0,0|2,0,0]=4 14407 B17R1.6947 O=C(CCOCCCCCl)c1ccccc1F 7a_100000210776_100000086012 [0,2,0,0,0,0|2,0,0]=4 14408 B17R1.6947 O=C(CCOCCCCCl)c1ccccc1O 7a_100000210776_100009873196 [0,2,0,0,0,0|2,0,0]=4 14409 B17R1.6947 O=C(CCOCCCCF)c1ccccc1F 7a_100011995726_100000086012 [0,2,0,0,0,0|2,0,0]=4 14410 B17R1.6947 O=C(CCOCCCCF)c1ccccc1O 7a_100011995726_100009873196 [0,2,0,0,0,0|2,0,0]=4 14411 B17R1.6947 O=C(CCSCCCCF)c1ccccc1F 62a_100000086012_100000729493 [0,2,0,0,0,0|2,0,0]=4 14412 B17R1.6947 O=C(CCSCCCCF)c1ccccc1F 62a_100000729493_100000086012 [0,2,0,0,0,0|2,0,0]=4 14413 B17R1.6947 O=C(CCSCCCCF)c1ccccc1O 62a_100000729493_100009873196 [0,2,0,0,0,0|2,0,0]=4 14414 B17R1.6947 O=C(CCSCCCCO)c1ccccc1F 62a_100000086012_100000210776 [0,2,0,0,0,0|2,0,0]=4 14415 B17R1.6947 O=C(CCSCCCCO)c1ccccc1F 62a_100000210776_100000086012 [0,2,0,0,0,0|2,0,0]=4 14416 B17R1.6947 O=C(CCSCCCCO)c1ccccc1O 62a_100000210776_100009873196 [0,2,0,0,0,0|2,0,0]=4 14417 B17R1.6947 O=C(CNCCCCCO)c1ccccc1Br 34a_100000762737_100000199116 [0,2,0,0,0,0|2,0,0]=4 14418 B17R1.6947 O=C(CNCCCCCO)c1ccccc1Cl 34a_100000762737_100000211432 [0,2,0,0,0,0|2,0,0]=4 14419 B17R1.6947 O=C(CNCCCCCO)c1ccccc1F 34a_100000762737_100000204681 [0,2,0,0,0,0|2,0,0]=4 14420 B17R1.6947 O=C(COCCCCCBr)c1ccccc1Br 34a_100000746331_100000199116 [0,2,0,0,0,0|1,0,0]=3 14421 B17R1.6947 O=C(COCCCCCBr)c1ccccc1Cl 34a_100000746331_100000211432 [0,2,0,0,0,0|1,0,0]=3 14422 B17R1.6947 O=C(COCCCCCBr)c1ccccc1F 34a_100000746331_100000204681 [0,2,0,0,0,0|1,0,0]=3 14423 B17R1.6947 O=C(COCCCCCBr)c1ccccc1F 7a_100000746331_100000204681 [0,2,0,0,0,0|1,0,0]=3 14424 B17R1.6947 O=C(COCCCCCBr)c1ccccc1O 7a_100000746331_100000188908 [0,2,0,0,0,0|1,0,0]=3 14425 B17R1.6947 O=C(COCCCCCCl)c1ccccc1Br 34a_100000746330_100000199116 [0,2,0,0,0,0|1,0,0]=3 14426 B17R1.6947 O=C(COCCCCCCl)c1ccccc1Cl 34a_100000746330_100000211432 [0,2,0,0,0,0|1,0,0]=3 14427 B17R1.6947 O=C(COCCCCCCl)c1ccccc1F 34a_100000746330_100000204681 [0,2,0,0,0,0|1,0,0]=3 14428 B17R1.6947 O=C(COCCCCCCl)c1ccccc1F 7a_100000746330_100000204681 [0,2,0,0,0,0|1,0,0]=3 14429 B17R1.6947 O=C(COCCCCCCl)c1ccccc1O 7a_100000746330_100000188908 [0,2,0,0,0,0|1,0,0]=3 14430 B17R1.6947 O=C(COCCCCCI)c1ccccc1Br 34a_200012148887_100000199116 [0,2,0,0,0,0|1,0,0]=3 14431 B17R1.6947 O=C(COCCCCCI)c1ccccc1Cl 34a_200012148887_100000211432 [0,2,0,0,0,0|1,0,0]=3 14432 B17R1.6947 O=C(COCCCCCI)c1ccccc1F 34a_200012148887_100000204681 [0,2,0,0,0,0|1,0,0]=3 14433 B17R1.6947 O=C(COCCCCCI)c1ccccc1F 7a_200012148887_100000204681 [0,2,0,0,0,0|1,0,0]=3 14434 B17R1.6947 O=C(COCCCCCI)c1ccccc1O 7a_200012148887_100000188908 [0,2,0,0,0,0|1,0,0]=3 14435 B17R1.6947 O=C(COCCOCCBr)c1ccccc1Br 34a_100000692535_100000199116 [0,2,0,0,0,0|2,0,0]=4 14436 B17R1.6947 O=C(COCCOCCBr)c1ccccc1Cl 34a_100000692535_100000211432 [0,2,0,0,0,0|2,0,0]=4 14437 B17R1.6947 O=C(COCCOCCBr)c1ccccc1F 34a_100000692535_100000204681 [0,2,0,0,0,0|2,0,0]=4 14438 B17R1.6947 O=C(COCCOCCBr)c1ccccc1F 7a_100000692535_100000204681 [0,2,0,0,0,0|2,0,0]=4 14439 B17R1.6947 O=C(COCCOCCBr)c1ccccc1O 7a_100000692535_100000188908 [0,2,0,0,0,0|2,0,0]=4 14440 B17R1.6947 O=C(COCCOCCCl)c1ccccc1Br 34a_100011215305_100000199116 [0,2,0,0,0,0|2,0,0]=4 14441 B17R1.6947 O=C(COCCOCCCl)c1ccccc1Cl 34a_100011215305_100000211432 [0,2,0,0,0,0|2,0,0]=4 14442 B17R1.6947 O=C(COCCOCCCl)c1ccccc1F 34a_100011215305_100000204681 [0,2,0,0,0,0|2,0,0]=4 14443 B17R1.6947 O=C(COCCOCCCl)c1ccccc1F 7a_100011215305_100000204681 [0,2,0,0,0,0|2,0,0]=4 14444 B17R1.6947 O=C(COCCOCCCl)c1ccccc1O 7a_100011215305_100000188908 [0,2,0,0,0,0|2,0,0]=4 14445 B17R1.6947 O=C(COCCOCCF)c1ccccc1Br 34a_200015357709_100000199116 [0,2,0,0,0,0|2,0,0]=4 14446 B17R1.6947 O=C(COCCOCCF)c1ccccc1Cl 34a_200015357709_100000211432 [0,2,0,0,0,0|2,0,0]=4 14447 B17R1.6947 O=C(COCCOCCF)c1ccccc1F 34a_200015357709_100000204681 [0,2,0,0,0,0|2,0,0]=4 14448 B17R1.6947 O=C(COCCOCCF)c1ccccc1F 7a_200015357709_100000204681 [0,2,0,0,0,0|2,0,0]=4 14449 B17R1.6947 O=C(COCCOCCF)c1ccccc1O 7a_200015357709_100000188908 [0,2,0,0,0,0|2,0,0]=4 14450 B17R1.6947 O=C(COCCOCCI)c1ccccc1Br 34a_100012149058_100000199116 [0,2,0,0,0,0|2,0,0]=4 14451 B17R1.6947 O=C(COCCOCCI)c1ccccc1Cl 34a_100012149058_100000211432 [0,2,0,0,0,0|2,0,0]=4 14452 B17R1.6947 O=C(COCCOCCI)c1ccccc1F 34a_100012149058_100000204681 [0,2,0,0,0,0|2,0,0]=4 14453 B17R1.6947 O=C(COCCOCCI)c1ccccc1F 7a_100012149058_100000204681 [0,2,0,0,0,0|2,0,0]=4 14454 B17R1.6947 O=C(COCCOCCI)c1ccccc1O 7a_100012149058_100000188908 [0,2,0,0,0,0|2,0,0]=4 14455 B17R1.6947 O=C(CSCCCCCF)c1ccccc1Br 62a_100000199116_100000729378 [0,2,0,0,0,0|1,1,0]=4 14456 B17R1.6947 O=C(CSCCCCCF)c1ccccc1Cl 62a_100000211432_100000729378 [0,2,0,0,0,0|1,1,0]=4 14457 B17R1.6947 O=C(CSCCCCCF)c1ccccc1Cl 62a_100000729378_100000211432 [0,2,0,0,0,0|1,1,0]=4 14458 B17R1.6947 O=C(CSCCCCCF)c1ccccc1F 62a_100000204681_100000729378 [0,2,0,0,0,0|1,1,0]=4 14459 B17R1.6947 O=C(CSCCCCCF)c1ccccc1F 62a_100000729378_100000204681 [0,2,0,0,0,0|1,1,0]=4 14460 B17R1.6947 O=C(CSCCCCCF)c1ccccc1O 62a_100000188908_100000729378 [0,2,0,0,0,0|1,1,0]=4 14461 B17R1.6947 O=C(CSCCCCCF)c1ccccc1O 62a_100000729378_100000188908 [0,2,0,0,0,0|1,1,0]=4 14462 B17R1.6947 O=C(CSCCCCCO)c1ccccc1Br 62a_100000199116_100000746330 [0,2,0,0,0,0|1,1,0]=4 14463 B17R1.6947 O=C(CSCCCCCO)c1ccccc1Cl 62a_100000211432_100000746330 [0,2,0,0,0,0|1,1,0]=4 14464 B17R1.6947 O=C(CSCCCCCO)c1ccccc1Cl 62a_100000746330_100000211432 [0,2,0,0,0,0|1,1,0]=4 14465 B17R1.6947 O=C(CSCCCCCO)c1ccccc1F 62a_100000204681_100000746330 [0,2,0,0,0,0|1,1,0]=4 14466 B17R1.6947 O=C(CSCCCCCO)c1ccccc1F 62a_100000746330_100000204681 [0,2,0,0,0,0|1,1,0]=4 14467 B17R1.6947 O=C(CSCCCCCO)c1ccccc1O 62a_100000188908_100000746330 [0,2,0,0,0,0|1,1,0]=4 14468 B17R1.6947 O=C(CSCCCCCO)c1ccccc1O 62a_100000746330_100000188908 [0,2,0,0,0,0|1,1,0]=4 14469 B17R1.6947 O=C(NCCCCCCO)c1ccccc1Br 240690a_100000686447_100000188424 [0,2,0,0,0,0|1,0,0]=3 14470 B17R1.6947 O=C(NCCCCCCO)c1ccccc1Br 527a_100000686447_100000188424 [0,2,0,0,0,0|1,0,0]=3 14471 B17R1.6947 O=C(NCCCCCCO)c1ccccc1Cl 240690a_100000686447_100000185844 [0,2,0,0,0,0|1,0,0]=3 14472 B17R1.6947 O=C(NCCCCCCO)c1ccccc1Cl 527a_100000686447_100000185844 [0,2,0,0,0,0|1,0,0]=3 14473 B17R1.6947 O=C(NCCCCCCO)c1ccccc1F 240690a_100000686447_100000188656 [0,2,0,0,0,0|1,0,0]=3 14474 B17R1.6947 O=C(NCCCCCCO)c1ccccc1F 527a_100000686447_100000188656 [0,2,0,0,0,0|1,0,0]=3 14475 B17R1.6947 O=C(NCCCCCCO)c1ccccc1I 240690a_100000686447_100000187884 [0,2,0,0,0,0|1,0,0]=3 14476 B17R1.6947 O=C(NCCCCCCO)c1ccccc1I 527a_100000686447_100000187884 [0,2,0,0,0,0|1,0,0]=3 14477 B17R1.6947 O=C(NCCCCCCO)c1ccccc1O 240690a_100000686447_100015234032 [0,2,0,0,0,0|1,0,0]=3 14478 B17R1.6947 O=C(NCCCCCCO)c1ccccc1[O-] 240690a_100000686447_100009911694 [0,2,0,0,0,0|1,0,0]=3 14479 B17R1.6947 O=C(NCCCCCCO)c1ccccc1[O-] 527a_100000686447_100009911694 [0,2,0,0,0,0|1,0,0]=3 14480 B17R1.6947 O=C(NCCNCCCF)c1ccccc1Cl 2230a_100000737833_100011934791 [0,2,0,0,0,0|2,0,0]=4 14481 B17R1.6947 O=C(NCCNCCCF)c1ccccc1Cl 34a_100000737833_100011934791 [0,2,0,0,0,0|2,0,0]=4 14482 B17R1.6947 O=C(NCCNCCCO)c1ccccc1Cl 2230a_100000737833_100000230001 [0,2,0,0,0,0|2,0,0]=4 14483 B17R1.6947 O=C(NCCNCCCO)c1ccccc1Cl 34a_100000737833_100000230001 [0,2,0,0,0,0|2,0,0]=4 14484 B17R1.6947 O=C(NCCOCCCF)c1ccccc1Br 34a_200000158863_100011934791 [0,2,0,0,0,0|2,0,0]=4 14485 B17R1.6947 O=C(NCCOCCCF)c1ccccc1Br 7a_200000158863_100011934791 [0,2,0,0,0,0|2,0,0]=4 14486 B17R1.6947 O=C(NCCOCCCO)c1ccccc1Br 34a_200000158863_100000230001 [0,2,0,0,0,0|2,0,0]=4 14487 B17R1.6947 O=C(NCCOCCCO)c1ccccc1Br 7a_200000158863_100011215043 [0,2,0,0,0,0|2,0,0]=4 14488 B17R1.710 C#CC(OCCCCCC)c1ccc(cc1)Cl 34a_100011470666_100000210314 [0,2,0,0,0,0|1,0,1]=4 14489 B17R1.710 C#CC(OCCCCCC)c1ccc(cc1)Cl 7a_100011470666_100000210314 [0,2,0,0,0,0|1,0,1]=4 14490 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210314 [0,2,0,0,0,0|1,0,1]=4 14491 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210314 [0,2,0,0,0,0|1,0,1]=4 14492 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210314 [0,2,0,0,0,0|1,0,1]=4 14493 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210314 [0,2,0,0,0,0|1,0,1]=4 14494 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210314 [0,2,0,0,0,0|1,0,1]=4 14495 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210314 [0,2,0,0,0,0|1,0,1]=4 14496 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210314 [0,2,0,0,0,0|1,0,1]=4 14497 B17R1.710 CCCCCCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210314 [0,2,0,0,0,0|1,0,1]=4 14498 B17R1.710 CCCCCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210314 [0,2,0,0,0,0|1,0,1]=4 14499 B17R1.710 CCCCCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210314 [0,2,0,0,0,0|1,0,1]=4 14500 B17R1.710 CCCCCCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210314 [0,2,0,0,0,0|1,0,1]=4 14501 B17R1.710 CCCCCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210314 [0,2,0,0,0,0|1,0,1]=4 14502 B17R1.710 CCCCCCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210314 [0,2,0,0,0,0|1,0,1]=4 14503 B17R1.710 CCCCCCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210314 [0,2,0,0,0,0|1,0,1]=4 14504 B17R1.710 CCCCCCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210314 [0,2,0,0,0,0|1,0,1]=4 14505 B17R1.710 CCCCCCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210314 [0,2,0,0,0,0|1,0,1]=4 14506 B17R1.748 CC(COC(=O)c1ccc(cc1)Br)NCCO 270004a_100000210304_200027936475 [0,2,0,0,0,0|2,0,0]=4 14507 B17R1.748 CCCCC(=O)CCC(=O)c1ccc(cc1)C 1458a_100000210183_100000701375 [0,2,0,0,0,0|1,0,1]=4 14508 B17R1.748 CCCCC(=O)CCC(=O)c1ccc(cc1)F 1458a_100000210183_100000211231 [0,2,0,0,0,0|1,0,1]=4 14509 B17R1.748 CCCCC(=O)CNC(=O)c1ccc(cc1)C 1458a_100000183637_100000210211 [0,2,0,0,0,0|1,0,1]=4 14510 B17R1.748 CCCCC(=O)CNC(=O)c1ccc(cc1)Cl 1458a_100000182666_100000210211 [0,2,0,0,0,0|1,0,1]=4 14511 B17R1.748 CCCCC(=O)CNC(=O)c1ccc(cc1)F 1458a_100000183488_100000210211 [0,2,0,0,0,0|1,0,1]=4 14512 B17R1.748 CCCCC(=O)CNC(=O)c1ccc(cc1)O 1458a_100000205570_100000210211 [0,2,0,0,0,0|1,0,1]=4 14513 B17R1.748 CCCCC(C)COC(C)c1ccc(cc1)Br 34a_100011995851_100000755118 [0,2,0,0,0,0|1,0,1]=4 14514 B17R1.748 CCCCC(C)COC(C)c1ccc(cc1)C 34a_100011995851_100011261388 [0,2,0,0,0,0|1,0,1]=4 14515 B17R1.748 CCCCC(C)COC(C)c1ccc(cc1)C 7a_100011995851_100011261388 [0,2,0,0,0,0|1,0,1]=4 14516 B17R1.748 CCCCC(C)COC(C)c1ccc(cc1)Cl 7a_100011995851_100000684792 [0,2,0,0,0,0|1,0,1]=4 14517 B17R1.748 CCCCC(C)COC(C)c1ccc(cc1)F 34a_100011995851_100000743420 [0,2,0,0,0,0|1,0,1]=4 14518 B17R1.748 CCCCC(C)COC(C)c1ccc(cc1)F 7a_100011995851_100000743420 [0,2,0,0,0,0|1,0,1]=4 14519 B17R1.748 CCCCC(C)NCC(=O)c1ccc(cc1)C 2230a_100000126638_100000211441 [0,2,0,0,0,0|2,0,0]=4 14520 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)Br 34a_100000687866_100000188085 [0,2,0,0,0,0|2,0,0]=4 14521 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)Br 7a_100000687866_100000188085 [0,2,0,0,0,0|2,0,0]=4 14522 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)C 34a_100000687866_100000211441 [0,2,0,0,0,0|2,0,0]=4 14523 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)C 7a_100000687866_100000211441 [0,2,0,0,0,0|2,0,0]=4 14524 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)Cl 7a_100000687866_100000211071 [0,2,0,0,0,0|2,0,0]=4 14525 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)F 34a_100000246311_200011215066 [0,2,0,0,0,0|2,0,0]=4 14526 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)F 7a_100000687866_100000211279 [0,2,0,0,0,0|2,0,0]=4 14527 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)I 34a_100000687866_100011216261 [0,2,0,0,0,0|2,0,0]=4 14528 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)I 7a_100000687866_100011216261 [0,2,0,0,0,0|2,0,0]=4 14529 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)O 34a_100000687866_100009814261 [0,2,0,0,0,0|2,0,0]=4 14530 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)O 7a_100000687866_100000018856 [0,2,0,0,0,0|2,0,0]=4 14531 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)Br 62a_100000188085_200011215066 [0,2,0,0,0,0|2,0,0]=4 14532 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)C 62a_100000211441_200011215066 [0,2,0,0,0,0|2,0,0]=4 14533 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)C 62a_200011215066_100000211441 [0,2,0,0,0,0|2,0,0]=4 14534 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)Cl 62a_100000211071_200011215066 [0,2,0,0,0,0|2,0,0]=4 14535 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)Cl 62a_200011215066_100000211071 [0,2,0,0,0,0|2,0,0]=4 14536 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)F 62a_100000211279_200011215066 [0,2,0,0,0,0|2,0,0]=4 14537 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)F 62a_200011215066_100000211279 [0,2,0,0,0,0|2,0,0]=4 14538 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)I 62a_100011216261_200011215066 [0,2,0,0,0,0|2,0,0]=4 14539 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)I 62a_200011215066_100011216261 [0,2,0,0,0,0|2,0,0]=4 14540 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)O 62a_100009814261_200011215066 [0,2,0,0,0,0|2,0,0]=4 14541 B17R1.748 CCCCC(C)SCC(=O)c1ccc(cc1)O 62a_200011215066_100009814261 [0,2,0,0,0,0|2,0,0]=4 14542 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)Br 269982a_100000207549_100011215963 [0,2,0,0,0,0|2,0,0]=4 14543 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)C 2230a_100000207549_100000701375 [0,2,0,0,0,0|2,0,0]=4 14544 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)C 269982a_100000207549_100000701375 [0,2,0,0,0,0|2,0,0]=4 14545 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)Cl 269982a_100000207549_100011216492 [0,2,0,0,0,0|2,0,0]=4 14546 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)F 2230a_100000207549_100000211231 [0,2,0,0,0,0|2,0,0]=4 14547 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)F 269982a_100000207549_100000211231 [0,2,0,0,0,0|2,0,0]=4 14548 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)O 2230a_100000207549_100009879949 [0,2,0,0,0,0|2,0,0]=4 14549 B17R1.748 CCCCN(C)CCC(=O)c1ccc(cc1)O 269982a_100000207549_100009879949 [0,2,0,0,0,0|2,0,0]=4 14550 B17R1.748 CCCC[C@H](N)COC(C)c1ccc(cc1)Br 34a_100011934283_100000755118 [0,2,0,0,0,0|1,0,1]=4 14551 B17R1.748 CCCC[C@H](N)COC(C)c1ccc(cc1)C 34a_100011934283_100011261388 [0,2,0,0,0,0|1,0,1]=4 14552 B17R1.748 CCCC[C@H](N)COC(C)c1ccc(cc1)F 34a_100011934283_100000743420 [0,2,0,0,0,0|1,0,1]=4 14553 B17R1.748 CCCNC(C)COC(=O)c1ccc(cc1)Br 270004a_100020643023_200027936475 [0,2,0,0,0,0|1,0,0]=3 14554 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Br 11a_100015185124_100000185839 [0,2,0,0,0,0|2,0,0]=4 14555 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Br 1626a_100015185124_100000185839 [0,2,0,0,0,0|2,0,0]=4 14556 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Br 240690a_100015185124_100000185839 [0,2,0,0,0,0|2,0,0]=4 14557 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Br 527a_100015185124_100000185839 [0,2,0,0,0,0|2,0,0]=4 14558 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)C 11a_100015185124_100000188618 [0,2,0,0,0,0|2,0,0]=4 14559 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)C 1626a_100015185124_100000188618 [0,2,0,0,0,0|2,0,0]=4 14560 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)C 240690a_100015185124_100000188618 [0,2,0,0,0,0|2,0,0]=4 14561 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)C 527a_100015185124_100000188618 [0,2,0,0,0,0|2,0,0]=4 14562 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Cl 11a_100015185124_100000210187 [0,2,0,0,0,0|2,0,0]=4 14563 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Cl 1626a_100015185124_100000210187 [0,2,0,0,0,0|2,0,0]=4 14564 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Cl 240690a_100015185124_100000210187 [0,2,0,0,0,0|2,0,0]=4 14565 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)Cl 527a_100015185124_100000210187 [0,2,0,0,0,0|2,0,0]=4 14566 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)F 11a_100015185124_100000187176 [0,2,0,0,0,0|2,0,0]=4 14567 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)F 1626a_100015185124_100000187176 [0,2,0,0,0,0|2,0,0]=4 14568 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)F 240690a_100015185124_100000187176 [0,2,0,0,0,0|2,0,0]=4 14569 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)F 527a_100015185124_100000187176 [0,2,0,0,0,0|2,0,0]=4 14570 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)I 11a_100015185124_100000187904 [0,2,0,0,0,0|2,0,0]=4 14571 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)I 1626a_100015185124_100000187904 [0,2,0,0,0,0|2,0,0]=4 14572 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)I 240690a_100015185124_100000187904 [0,2,0,0,0,0|2,0,0]=4 14573 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)I 527a_100015185124_100000187904 [0,2,0,0,0,0|2,0,0]=4 14574 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)O 240690a_100015185124_100000212099 [0,2,0,0,0,0|2,0,0]=4 14575 B17R1.748 CCCOC(C)CNC(=O)c1ccc(cc1)O 527a_100015185124_100000212099 [0,2,0,0,0,0|2,0,0]=4 14576 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)Br 240690a_102515437182_100000185839 [0,2,0,0,0,0|2,0,0]=4 14577 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)Br 527a_102515437182_100000185839 [0,2,0,0,0,0|2,0,0]=4 14578 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)C 240690a_102515437182_100000188618 [0,2,0,0,0,0|2,0,0]=4 14579 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)C 527a_102515437182_100000188618 [0,2,0,0,0,0|2,0,0]=4 14580 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)Cl 240690a_102515437182_100000210187 [0,2,0,0,0,0|2,0,0]=4 14581 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)Cl 527a_102515437182_100000210187 [0,2,0,0,0,0|2,0,0]=4 14582 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)F 240690a_102515437182_100000187176 [0,2,0,0,0,0|2,0,0]=4 14583 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)F 527a_102515437182_100000187176 [0,2,0,0,0,0|2,0,0]=4 14584 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)I 240690a_102515437182_100000187904 [0,2,0,0,0,0|2,0,0]=4 14585 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)I 527a_102515437182_100000187904 [0,2,0,0,0,0|2,0,0]=4 14586 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)O 240690a_102515437182_100000212099 [0,2,0,0,0,0|2,0,0]=4 14587 B17R1.748 CCOCC(O)CNC(=O)c1ccc(cc1)O 527a_102515437182_100000212099 [0,2,0,0,0,0|2,0,0]=4 14588 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)Br 240690a_100160569302_100000185839 [0,2,0,0,0,0|2,0,0]=4 14589 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)Br 527a_100160569302_100000185839 [0,2,0,0,0,0|2,0,0]=4 14590 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)Cl 240690a_100160569302_100000210187 [0,2,0,0,0,0|2,0,0]=4 14591 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)Cl 527a_100160569302_100000210187 [0,2,0,0,0,0|2,0,0]=4 14592 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)F 240690a_100160569302_100000187176 [0,2,0,0,0,0|2,0,0]=4 14593 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)F 527a_100160569302_100000187176 [0,2,0,0,0,0|2,0,0]=4 14594 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)I 240690a_100160569302_100000187904 [0,2,0,0,0,0|2,0,0]=4 14595 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)I 527a_100160569302_100000187904 [0,2,0,0,0,0|2,0,0]=4 14596 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)O 240690a_100160569302_100000212099 [0,2,0,0,0,0|2,0,0]=4 14597 B17R1.748 C[C@H](CCCO)CNC(=O)c1ccc(cc1)O 527a_100160569302_100000212099 [0,2,0,0,0,0|2,0,0]=4 14598 B17R1.748 Cc1ccc(cc1)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000188618 [0,2,0,0,0,0|2,0,0]=4 14599 B17R1.748 Cc1ccc(cc1)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000188618 [0,2,0,0,0,0|2,0,0]=4 14600 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100011215978 [0,2,0,0,0,0|1,0,0]=3 14601 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100011215978 [0,2,0,0,0,0|1,0,0]=3 14602 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215978 [0,2,0,0,0,0|1,0,0]=3 14603 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100011215978 [0,2,0,0,0,0|1,0,0]=3 14604 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100011215978 [0,2,0,0,0,0|1,0,0]=3 14605 B17R1.751 CCCCCCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100011215978 [0,2,0,0,0,0|1,0,0]=3 14606 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Br 11a_106256046315_100000185839 [0,2,0,0,0,0|1,0,0]=3 14607 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Br 1626a_106256046315_100000185839 [0,2,0,0,0,0|1,0,0]=3 14608 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Br 240690a_106256046315_100000185839 [0,2,0,0,0,0|1,0,0]=3 14609 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Br 527a_106256046315_100000185839 [0,2,0,0,0,0|1,0,0]=3 14610 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)C 11a_106256046315_100000188618 [0,2,0,0,0,0|1,0,0]=3 14611 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)C 1626a_106256046315_100000188618 [0,2,0,0,0,0|1,0,0]=3 14612 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)C 240690a_106256046315_100000188618 [0,2,0,0,0,0|1,0,0]=3 14613 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)C 527a_106256046315_100000188618 [0,2,0,0,0,0|1,0,0]=3 14614 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Cl 11a_106256046315_100000210187 [0,2,0,0,0,0|1,0,0]=3 14615 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Cl 1626a_106256046315_100000210187 [0,2,0,0,0,0|1,0,0]=3 14616 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Cl 240690a_106256046315_100000210187 [0,2,0,0,0,0|1,0,0]=3 14617 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)Cl 527a_106256046315_100000210187 [0,2,0,0,0,0|1,0,0]=3 14618 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)F 11a_106256046315_100000187176 [0,2,0,0,0,0|1,0,0]=3 14619 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)F 1626a_106256046315_100000187176 [0,2,0,0,0,0|1,0,0]=3 14620 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)F 240690a_106256046315_100000187176 [0,2,0,0,0,0|1,0,0]=3 14621 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)F 527a_106256046315_100000187176 [0,2,0,0,0,0|1,0,0]=3 14622 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)I 11a_106256046315_100000187904 [0,2,0,0,0,0|1,0,0]=3 14623 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)I 1626a_106256046315_100000187904 [0,2,0,0,0,0|1,0,0]=3 14624 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)I 240690a_106256046315_100000187904 [0,2,0,0,0,0|1,0,0]=3 14625 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)I 527a_106256046315_100000187904 [0,2,0,0,0,0|1,0,0]=3 14626 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)O 240690a_106256046315_100000212099 [0,2,0,0,0,0|1,0,0]=3 14627 B17R1.751 CCCCCCN(C)C(=O)c1ccc(cc1)O 527a_106256046315_100000212099 [0,2,0,0,0,0|1,0,0]=3 14628 B17R1.751 CCCCCNC(C)C(=O)c1ccc(cc1)Br 2230a_100000209983_100000184162 [0,2,0,0,0,0|2,0,0]=4 14629 B17R1.751 CCCCCNC(C)C(=O)c1ccc(cc1)C 2230a_100000209983_100000726416 [0,2,0,0,0,0|2,0,0]=4 14630 B17R1.751 CCCCCNC(C)C(=O)c1ccc(cc1)Cl 2230a_100000209983_100000183210 [0,2,0,0,0,0|2,0,0]=4 14631 B17R1.751 CCCCCNC(C)C(=O)c1ccc(cc1)F 2230a_100000209983_100000229918 [0,2,0,0,0,0|2,0,0]=4 14632 B17R1.751 CCCCCNC(C)C(=O)c1ccc(cc1)O 2230a_100000209983_200010205864 [0,2,0,0,0,0|2,0,0]=4 14633 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)Br 34a_100000210253_100000184162 [0,2,0,0,0,0|2,0,0]=4 14634 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)Br 7a_100000210253_100000184162 [0,2,0,0,0,0|2,0,0]=4 14635 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)C 34a_100000210253_100000726416 [0,2,0,0,0,0|2,0,0]=4 14636 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)C 7a_100000210253_100000183984 [0,2,0,0,0,0|2,0,0]=4 14637 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)Cl 7a_100000210253_100000183210 [0,2,0,0,0,0|2,0,0]=4 14638 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)F 34a_100000210253_100000229918 [0,2,0,0,0,0|2,0,0]=4 14639 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)F 7a_100000210253_100000229918 [0,2,0,0,0,0|2,0,0]=4 14640 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)O 34a_100000210253_200010205864 [0,2,0,0,0,0|2,0,0]=4 14641 B17R1.751 CCCCCOC(C)C(=O)c1ccc(cc1)O 7a_100000210253_200010205864 [0,2,0,0,0,0|2,0,0]=4 14642 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)Br 62a_100000184162_100000210326 [0,2,0,0,0,0|2,0,0]=4 14643 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)Br 62a_100000210326_100000184162 [0,2,0,0,0,0|2,0,0]=4 14644 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)C 62a_100000210326_100000726416 [0,2,0,0,0,0|2,0,0]=4 14645 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)C 62a_100000726416_100000210326 [0,2,0,0,0,0|2,0,0]=4 14646 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)Cl 62a_100000183210_100000210326 [0,2,0,0,0,0|2,0,0]=4 14647 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)Cl 62a_100000210326_100000183210 [0,2,0,0,0,0|2,0,0]=4 14648 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)F 62a_100000210326_100000229918 [0,2,0,0,0,0|2,0,0]=4 14649 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)F 62a_100000229918_100000210326 [0,2,0,0,0,0|2,0,0]=4 14650 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)O 62a_100000210326_200010205864 [0,2,0,0,0,0|2,0,0]=4 14651 B17R1.751 CCCCCSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_100000210326 [0,2,0,0,0,0|2,0,0]=4 14652 B17R1.751 CN(CCCCCO)C(=O)c1ccc(cc1)Br 240690a_100000722520_100000185839 [0,2,0,0,0,0|2,0,0]=4 14653 B17R1.751 CN(CCCCCO)C(=O)c1ccc(cc1)Cl 240690a_100000722520_100000210187 [0,2,0,0,0,0|2,0,0]=4 14654 B17R1.751 CN(CCCCCO)C(=O)c1ccc(cc1)F 240690a_100000722520_100000187176 [0,2,0,0,0,0|2,0,0]=4 14655 B17R1.751 CN(CCCCCO)C(=O)c1ccc(cc1)I 240690a_100000722520_100000187904 [0,2,0,0,0,0|2,0,0]=4 14656 B17R1.751 CN(CCCCCO)C(=O)c1ccc(cc1)O 240690a_100000722520_100000212099 [0,2,0,0,0,0|2,0,0]=4 14657 B17R1.751 Cc1ccc(cc1)C(=O)N(C)CCCCCO 240690a_100000722520_100000188618 [0,2,0,0,0,0|2,0,0]=4 14658 B17R1.968 CCCC(=O)CCCC(=O)c1ccc(cc1)Br 1458a_100000211992_100000211046 [0,2,0,0,0,0|1,0,1]=4 14659 B17R1.968 CCCC(=O)CCCC(=O)c1ccc(cc1)Cl 1458a_100000211992_200011217871 [0,2,0,0,0,0|1,0,1]=4 14660 B17R1.968 CCCC(=O)CCCC(=O)c1ccc(cc1)F 1458a_100000211992_100000211961 [0,2,0,0,0,0|1,0,1]=4 14661 B17R1.968 CCCC(=O)CCCC(=O)c1ccc(cc1)O 1458a_100000211992_100000039620 [0,2,0,0,0,0|1,0,1]=4 14662 B17R1.968 CCCC(=O)CCNC(=O)c1ccc(cc1)Br 1458a_100000184271_100000210303 [0,2,0,0,0,0|1,0,1]=4 14663 B17R1.968 CCCC(=O)CCNC(=O)c1ccc(cc1)Cl 1458a_100000184362_100000210303 [0,2,0,0,0,0|1,0,1]=4 14664 B17R1.968 CCCC(=O)CCNC(=O)c1ccc(cc1)F 1458a_100000195280_100000210303 [0,2,0,0,0,0|1,0,1]=4 14665 B17R1.968 CCCC(C)CCOC(C)c1ccc(cc1)Br 34a_100011217855_100000755118 [0,2,0,0,0,0|1,0,1]=4 14666 B17R1.968 CCCC(C)CCOC(C)c1ccc(cc1)C 34a_100011217855_100011261388 [0,2,0,0,0,0|1,0,1]=4 14667 B17R1.968 CCCC(C)CCOC(C)c1ccc(cc1)C 7a_100011217855_100011261388 [0,2,0,0,0,0|1,0,1]=4 14668 B17R1.968 CCCC(C)CCOC(C)c1ccc(cc1)Cl 7a_100011217855_100000684792 [0,2,0,0,0,0|1,0,1]=4 14669 B17R1.968 CCCC(C)CCOC(C)c1ccc(cc1)F 34a_100011217855_100000743420 [0,2,0,0,0,0|1,0,1]=4 14670 B17R1.968 CCCC(C)CCOC(C)c1ccc(cc1)F 7a_100011217855_100000743420 [0,2,0,0,0,0|1,0,1]=4 14671 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)Br 34a_100000688023_100000188085 [0,2,0,0,0,0|2,0,0]=4 14672 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)Br 7a_100000688023_100000188085 [0,2,0,0,0,0|2,0,0]=4 14673 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)C 34a_100000688023_100000211441 [0,2,0,0,0,0|2,0,0]=4 14674 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)C 7a_100000688023_100000211441 [0,2,0,0,0,0|2,0,0]=4 14675 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)Cl 7a_100000688023_100000211071 [0,2,0,0,0,0|2,0,0]=4 14676 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)F 34a_100000246311_100011216630 [0,2,0,0,0,0|2,0,0]=4 14677 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)F 7a_100000688023_100000211279 [0,2,0,0,0,0|2,0,0]=4 14678 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)I 34a_100000688023_100011216261 [0,2,0,0,0,0|2,0,0]=4 14679 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)I 7a_100000688023_100011216261 [0,2,0,0,0,0|2,0,0]=4 14680 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)O 34a_100000688023_100009814261 [0,2,0,0,0,0|2,0,0]=4 14681 B17R1.968 CCCC(C)COCC(=O)c1ccc(cc1)O 7a_100000688023_100000018856 [0,2,0,0,0,0|2,0,0]=4 14682 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011216630 [0,2,0,0,0,0|2,0,0]=4 14683 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)C 62a_100000211441_100011216630 [0,2,0,0,0,0|2,0,0]=4 14684 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)C 62a_100011216630_100000211441 [0,2,0,0,0,0|2,0,0]=4 14685 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011216630 [0,2,0,0,0,0|2,0,0]=4 14686 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)Cl 62a_100011216630_100000211071 [0,2,0,0,0,0|2,0,0]=4 14687 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)F 62a_100000211279_100011216630 [0,2,0,0,0,0|2,0,0]=4 14688 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)F 62a_100011216630_100000211279 [0,2,0,0,0,0|2,0,0]=4 14689 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)I 62a_100011216261_100011216630 [0,2,0,0,0,0|2,0,0]=4 14690 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)I 62a_100011216630_100011216261 [0,2,0,0,0,0|2,0,0]=4 14691 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)O 62a_100009814261_100011216630 [0,2,0,0,0,0|2,0,0]=4 14692 B17R1.968 CCCC(C)CSCC(=O)c1ccc(cc1)O 62a_100011216630_100009814261 [0,2,0,0,0,0|2,0,0]=4 14693 B17R1.968 CCCC(C)NCCC(=O)c1ccc(cc1)C 2230a_100000741246_100000701375 [0,2,0,0,0,0|2,0,0]=4 14694 B17R1.968 CCCC(C)NCCC(=O)c1ccc(cc1)F 2230a_100000741246_100000211231 [0,2,0,0,0,0|2,0,0]=4 14695 B17R1.968 CCCC(C)NCCC(=O)c1ccc(cc1)O 2230a_100000741246_100009879949 [0,2,0,0,0,0|2,0,0]=4 14696 B17R1.968 CCCC(C)OCCC(=O)c1ccc(cc1)Br 7a_100000764384_100011215963 [0,2,0,0,0,0|2,0,0]=4 14697 B17R1.968 CCCC(C)OCCC(=O)c1ccc(cc1)C 7a_100000764384_100000701375 [0,2,0,0,0,0|2,0,0]=4 14698 B17R1.968 CCCC(C)OCCC(=O)c1ccc(cc1)Cl 7a_100000764384_100011216492 [0,2,0,0,0,0|2,0,0]=4 14699 B17R1.968 CCCC(C)OCCC(=O)c1ccc(cc1)F 7a_100000764384_100000211231 [0,2,0,0,0,0|2,0,0]=4 14700 B17R1.968 CCCC(C)OCCC(=O)c1ccc(cc1)O 7a_100000764384_100009879949 [0,2,0,0,0,0|2,0,0]=4 14701 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)Br 62a_100000766640_100011215963 [0,2,0,0,0,0|2,0,0]=4 14702 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000766640 [0,2,0,0,0,0|2,0,0]=4 14703 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)C 62a_100000701375_100000766640 [0,2,0,0,0,0|2,0,0]=4 14704 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)C 62a_100000766640_100000701375 [0,2,0,0,0,0|2,0,0]=4 14705 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100000766640_100011216492 [0,2,0,0,0,0|2,0,0]=4 14706 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000766640 [0,2,0,0,0,0|2,0,0]=4 14707 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)F 62a_100000211231_100000766640 [0,2,0,0,0,0|2,0,0]=4 14708 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)F 62a_100000766640_100000211231 [0,2,0,0,0,0|2,0,0]=4 14709 B17R1.968 CCCC(C)SCCC(=O)c1ccc(cc1)O 62a_100000766640_100009879949 [0,2,0,0,0,0|2,0,0]=4 14710 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)Br 2230a_100000747261_100000211046 [0,2,0,0,0,0|2,0,0]=4 14711 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)Br 269982a_100000747261_100000211046 [0,2,0,0,0,0|2,0,0]=4 14712 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)Cl 269982a_100000747261_200011217871 [0,2,0,0,0,0|2,0,0]=4 14713 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)F 2230a_100000747261_100000211961 [0,2,0,0,0,0|2,0,0]=4 14714 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)F 269982a_100000747261_100000211961 [0,2,0,0,0,0|2,0,0]=4 14715 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)O 2230a_100000747261_100000039620 [0,2,0,0,0,0|2,0,0]=4 14716 B17R1.968 CCCN(C)CCCC(=O)c1ccc(cc1)O 269982a_100000747261_100000039620 [0,2,0,0,0,0|2,0,0]=4 14717 B17R1.968 CCC[C@H](N)CCOC(C)c1ccc(cc1)Br 34a_100015193777_100000755118 [0,2,0,0,0,0|1,0,1]=4 14718 B17R1.968 CCC[C@H](N)CCOC(C)c1ccc(cc1)C 34a_100015193777_100011261388 [0,2,0,0,0,0|1,0,1]=4 14719 B17R1.968 CCC[C@H](N)CCOC(C)c1ccc(cc1)F 34a_100015193777_100000743420 [0,2,0,0,0,0|1,0,1]=4 14720 B17R1.968 CCC[C@H](N)COCC(=O)c1ccc(cc1)Br 34a_100000732646_100000188085 [0,2,0,0,0,0|2,0,0]=4 14721 B17R1.968 CCC[C@H](N)COCC(=O)c1ccc(cc1)C 34a_100000732646_100000211441 [0,2,0,0,0,0|2,0,0]=4 14722 B17R1.968 CCC[C@H](N)COCC(=O)c1ccc(cc1)I 34a_100000732646_100011216261 [0,2,0,0,0,0|2,0,0]=4 14723 B17R1.968 CCC[C@H](N)COCC(=O)c1ccc(cc1)O 34a_100000732646_100009814261 [0,2,0,0,0,0|2,0,0]=4 14724 B17R1.1059 C=C(C)COCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000748629 [0,2,0,0,0,0|1,0,1]=4 14725 B17R1.1059 CC(Br)COCCCC(=O)c1ccc(cc1)Br 34a_100012180447_100000211046 [0,2,0,0,0,0|2,0,0]=4 14726 B17R1.1059 CC(C)CCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210682 [0,2,0,0,0,0|1,0,0]=3 14727 B17R1.1059 CC(C)CCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210682 [0,2,0,0,0,0|1,0,0]=3 14728 B17R1.1059 CC(C)CCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210682 [0,2,0,0,0,0|1,0,0]=3 14729 B17R1.1059 CC(C)CCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210682 [0,2,0,0,0,0|1,0,0]=3 14730 B17R1.1059 CC(C)CCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210682 [0,2,0,0,0,0|1,0,0]=3 14731 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100011216152 [0,2,0,0,0,0|1,0,1]=4 14732 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)Br 34a_100011214890_100000755118 [0,2,0,0,0,0|1,0,1]=4 14733 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100011216152 [0,2,0,0,0,0|1,0,1]=4 14734 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)Cl 7a_100011214890_100000684792 [0,2,0,0,0,0|1,0,1]=4 14735 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)F 34a_100000181323_100011216152 [0,2,0,0,0,0|1,0,1]=4 14736 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)F 34a_100011214890_100000743420 [0,2,0,0,0,0|1,0,1]=4 14737 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)F 7a_100000181323_100011216152 [0,2,0,0,0,0|1,0,1]=4 14738 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)F 7a_100011214890_100000743420 [0,2,0,0,0,0|1,0,1]=4 14739 B17R1.1059 CC(C)CCCCOC(C)c1ccc(cc1)N 34a_100011216399_100011216152 [0,2,0,0,0,0|1,0,1]=4 14740 B17R1.1059 CC(C)CCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100011216152 [0,2,0,0,0,0|1,0,1]=4 14741 B17R1.1059 CC(C)CCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100011216152 [0,2,0,0,0,0|1,0,1]=4 14742 B17R1.1059 CC(C)CCCNCC(=O)c1ccc(cc1)Br 34a_200000737386_100000188085 [0,2,0,0,0,0|2,0,0]=4 14743 B17R1.1059 CC(C)CCCNCC(=O)c1ccc(cc1)I 34a_200000737386_100011216261 [0,2,0,0,0,0|2,0,0]=4 14744 B17R1.1059 CC(C)CCCNCC(=O)c1ccc(cc1)O 34a_200000737386_100009814261 [0,2,0,0,0,0|2,0,0]=4 14745 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)Br 34a_100000210774_100000188085 [0,2,0,0,0,0|2,0,0]=4 14746 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)Br 7a_100000210774_100000188085 [0,2,0,0,0,0|2,0,0]=4 14747 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)Cl 7a_100000210774_100000211071 [0,2,0,0,0,0|2,0,0]=4 14748 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100011214892 [0,2,0,0,0,0|2,0,0]=4 14749 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)F 7a_100000210774_100000211279 [0,2,0,0,0,0|2,0,0]=4 14750 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)I 34a_100000210774_100011216261 [0,2,0,0,0,0|2,0,0]=4 14751 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)I 7a_100000210774_100011216261 [0,2,0,0,0,0|2,0,0]=4 14752 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)O 34a_100000210774_100009814261 [0,2,0,0,0,0|2,0,0]=4 14753 B17R1.1059 CC(C)CCCOCC(=O)c1ccc(cc1)O 7a_100000210774_100000018856 [0,2,0,0,0,0|2,0,0]=4 14754 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100011214892 [0,2,0,0,0,0|2,0,0]=4 14755 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100011214892 [0,2,0,0,0,0|2,0,0]=4 14756 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)Cl 62a_100011214892_100000211071 [0,2,0,0,0,0|2,0,0]=4 14757 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100011214892 [0,2,0,0,0,0|2,0,0]=4 14758 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)F 62a_100011214892_100000211279 [0,2,0,0,0,0|2,0,0]=4 14759 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)I 62a_100011214892_100011216261 [0,2,0,0,0,0|2,0,0]=4 14760 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100011214892 [0,2,0,0,0,0|2,0,0]=4 14761 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100011214892 [0,2,0,0,0,0|2,0,0]=4 14762 B17R1.1059 CC(C)CCCSCC(=O)c1ccc(cc1)O 62a_100011214892_100009814261 [0,2,0,0,0,0|2,0,0]=4 14763 B17R1.1059 CC(C)CCOCCC(=O)c1ccc(cc1)Br 7a_100000210254_100011215963 [0,2,0,0,0,0|2,0,0]=4 14764 B17R1.1059 CC(C)CCOCCC(=O)c1ccc(cc1)Cl 7a_100000210254_100011216492 [0,2,0,0,0,0|2,0,0]=4 14765 B17R1.1059 CC(C)CCOCCC(=O)c1ccc(cc1)F 7a_100000210254_100000211231 [0,2,0,0,0,0|2,0,0]=4 14766 B17R1.1059 CC(C)CCOCCC(=O)c1ccc(cc1)O 7a_100000210254_100009879949 [0,2,0,0,0,0|2,0,0]=4 14767 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)Br 62a_100000210312_100011215963 [0,2,0,0,0,0|2,0,0]=4 14768 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210312 [0,2,0,0,0,0|2,0,0]=4 14769 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)Cl 62a_100000210312_100011216492 [0,2,0,0,0,0|2,0,0]=4 14770 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210312 [0,2,0,0,0,0|2,0,0]=4 14771 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)F 62a_100000210312_100000211231 [0,2,0,0,0,0|2,0,0]=4 14772 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210312 [0,2,0,0,0,0|2,0,0]=4 14773 B17R1.1059 CC(C)CCSCCC(=O)c1ccc(cc1)O 62a_100000210312_100009879949 [0,2,0,0,0,0|2,0,0]=4 14774 B17R1.1059 CC(C)CNCCCC(=O)c1ccc(cc1)Br 2230a_100000210953_100000211046 [0,2,0,0,0,0|2,0,0]=4 14775 B17R1.1059 CC(C)CNCCCC(=O)c1ccc(cc1)Br 34a_100000210953_100000211046 [0,2,0,0,0,0|2,0,0]=4 14776 B17R1.1059 CC(C)CNCCCC(=O)c1ccc(cc1)F 2230a_100000210953_100000211961 [0,2,0,0,0,0|2,0,0]=4 14777 B17R1.1059 CC(C)CNCCCC(=O)c1ccc(cc1)O 2230a_100000210953_100000039620 [0,2,0,0,0,0|2,0,0]=4 14778 B17R1.1059 CC(C)CNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000210760 [0,2,0,0,0,0|2,0,0]=4 14779 B17R1.1059 CC(C)CNCCNC(=O)c1ccc(cc1)Cl 270004a_100000736292_100000210432 [0,2,0,0,0,0|2,0,0]=4 14780 B17R1.1059 CC(C)CNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000210624 [0,2,0,0,0,0|2,0,0]=4 14781 B17R1.1059 CC(C)CNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000210760 [0,2,0,0,0,0|2,0,0]=4 14782 B17R1.1059 CC(C)CNCCNC(=O)c1ccc(cc1)F 270004a_100000753910_100000210432 [0,2,0,0,0,0|2,0,0]=4 14783 B17R1.1059 CC(C)CNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000210624 [0,2,0,0,0,0|2,0,0]=4 14784 B17R1.1059 CC(C)COCCCC(=O)c1ccc(cc1)Br 34a_100000210257_100000211046 [0,2,0,0,0,0|2,0,0]=4 14785 B17R1.1059 CC(C)COCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000210624 [0,2,0,0,0,0|2,0,0]=4 14786 B17R1.1059 CC(C)COCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000210624 [0,2,0,0,0,0|2,0,0]=4 14787 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)Br 62a_100000210624_100000211046 [0,2,0,0,0,0|2,0,0]=4 14788 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000210760 [0,2,0,0,0,0|2,0,0]=4 14789 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)Cl 62a_100000210624_200011217871 [0,2,0,0,0,0|2,0,0]=4 14790 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000210760 [0,2,0,0,0,0|2,0,0]=4 14791 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)F 62a_100000210624_100000211961 [0,2,0,0,0,0|2,0,0]=4 14792 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000210760 [0,2,0,0,0,0|2,0,0]=4 14793 B17R1.1059 CC(C)CSCCCC(=O)c1ccc(cc1)O 62a_100000210624_100000039620 [0,2,0,0,0,0|2,0,0]=4 14794 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Br 11a_100000737246_100000185839 [0,2,0,0,0,0|2,0,0]=4 14795 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Br 1626a_100000737246_100000185839 [0,2,0,0,0,0|2,0,0]=4 14796 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Br 240690a_100000737246_100000185839 [0,2,0,0,0,0|2,0,0]=4 14797 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Br 527a_100000737246_100000185839 [0,2,0,0,0,0|2,0,0]=4 14798 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Cl 11a_100000737246_100000210187 [0,2,0,0,0,0|2,0,0]=4 14799 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Cl 1626a_100000737246_100000210187 [0,2,0,0,0,0|2,0,0]=4 14800 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Cl 240690a_100000737246_100000210187 [0,2,0,0,0,0|2,0,0]=4 14801 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)Cl 527a_100000737246_100000210187 [0,2,0,0,0,0|2,0,0]=4 14802 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)F 11a_100000737246_100000187176 [0,2,0,0,0,0|2,0,0]=4 14803 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)F 1626a_100000737246_100000187176 [0,2,0,0,0,0|2,0,0]=4 14804 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)F 240690a_100000737246_100000187176 [0,2,0,0,0,0|2,0,0]=4 14805 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)F 527a_100000737246_100000187176 [0,2,0,0,0,0|2,0,0]=4 14806 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)I 11a_100000737246_100000187904 [0,2,0,0,0,0|2,0,0]=4 14807 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)I 1626a_100000737246_100000187904 [0,2,0,0,0,0|2,0,0]=4 14808 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)I 240690a_100000737246_100000187904 [0,2,0,0,0,0|2,0,0]=4 14809 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)I 527a_100000737246_100000187904 [0,2,0,0,0,0|2,0,0]=4 14810 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)O 240690a_100000737246_100000212099 [0,2,0,0,0,0|2,0,0]=4 14811 B17R1.1059 CC(C)OCCCNC(=O)c1ccc(cc1)O 527a_100000737246_100000212099 [0,2,0,0,0,0|2,0,0]=4 14812 B17R1.1059 CC(F)COCCCC(=O)c1ccc(cc1)Br 34a_100015925927_100000211046 [0,2,0,0,0,0|2,0,0]=4 14813 B17R1.1059 CC(O)CCCOCC(=O)c1ccc(cc1)F 34a_100000246311_200000718107 [0,2,0,0,0,0|2,0,0]=4 14814 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_200000718107 [0,2,0,0,0,0|2,0,0]=4 14815 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_200000718107 [0,2,0,0,0,0|2,0,0]=4 14816 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)Cl 62a_200000718107_100000211071 [0,2,0,0,0,0|2,0,0]=4 14817 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)F 62a_100000211279_200000718107 [0,2,0,0,0,0|2,0,0]=4 14818 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)F 62a_200000718107_100000211279 [0,2,0,0,0,0|2,0,0]=4 14819 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)I 62a_100011216261_200000718107 [0,2,0,0,0,0|2,0,0]=4 14820 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)I 62a_200000718107_100011216261 [0,2,0,0,0,0|2,0,0]=4 14821 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)O 62a_100009814261_200000718107 [0,2,0,0,0,0|2,0,0]=4 14822 B17R1.1059 CC(O)CCCSCC(=O)c1ccc(cc1)O 62a_200000718107_100009814261 [0,2,0,0,0,0|2,0,0]=4 14823 B17R1.1059 CC(O)CCNCCC(=O)c1ccc(cc1)F 2230a_200000755665_100000211231 [0,2,0,0,0,0|2,0,0]=4 14824 B17R1.1059 CC(O)CCNCCC(=O)c1ccc(cc1)O 2230a_200000755665_100009879949 [0,2,0,0,0,0|2,0,0]=4 14825 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100012276601 [0,2,0,0,0,0|2,0,0]=4 14826 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)Br 62a_100012276601_100011215963 [0,2,0,0,0,0|2,0,0]=4 14827 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100012276601 [0,2,0,0,0,0|2,0,0]=4 14828 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)Cl 62a_100012276601_100011216492 [0,2,0,0,0,0|2,0,0]=4 14829 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100012276601 [0,2,0,0,0,0|2,0,0]=4 14830 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)F 62a_100012276601_100000211231 [0,2,0,0,0,0|2,0,0]=4 14831 B17R1.1059 CC(O)CCSCCC(=O)c1ccc(cc1)O 62a_100012276601_100009879949 [0,2,0,0,0,0|2,0,0]=4 14832 B17R1.1059 CC(O)CNCCCC(=O)c1ccc(cc1)Br 2230a_100000210904_100000211046 [0,2,0,0,0,0|2,0,0]=4 14833 B17R1.1059 CC(O)CNCCCC(=O)c1ccc(cc1)Br 34a_100000210904_100000211046 [0,2,0,0,0,0|2,0,0]=4 14834 B17R1.1059 CC(O)CNCCCC(=O)c1ccc(cc1)F 2230a_100000210904_100000211961 [0,2,0,0,0,0|2,0,0]=4 14835 B17R1.1059 CC(O)CNCCCC(=O)c1ccc(cc1)O 2230a_100000210904_100000039620 [0,2,0,0,0,0|2,0,0]=4 14836 B17R1.1059 CC(O)CNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100011218427 [0,2,0,0,0,0|2,0,0]=4 14837 B17R1.1059 CC(O)CNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100011218427 [0,2,0,0,0,0|2,0,0]=4 14838 B17R1.1059 CC(O)CNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100011218427 [0,2,0,0,0,0|2,0,0]=4 14839 B17R1.1059 CC(O)CNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100011218427 [0,2,0,0,0,0|2,0,0]=4 14840 B17R1.1059 CC(O)COCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100011218427 [0,2,0,0,0,0|2,0,0]=4 14841 B17R1.1059 CC(O)COCCNC(=O)c1ccc(cc1)N 34a_100000740983_100011218427 [0,2,0,0,0,0|2,0,0]=4 14842 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100011218427 [0,2,0,0,0,0|2,0,0]=4 14843 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)Br 62a_100011218427_100000211046 [0,2,0,0,0,0|2,0,0]=4 14844 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)Cl 62a_100011218427_200011217871 [0,2,0,0,0,0|2,0,0]=4 14845 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100011218427 [0,2,0,0,0,0|2,0,0]=4 14846 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100011218427 [0,2,0,0,0,0|2,0,0]=4 14847 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)F 62a_100011218427_100000211961 [0,2,0,0,0,0|2,0,0]=4 14848 B17R1.1059 CC(O)CSCCCC(=O)c1ccc(cc1)O 62a_100011218427_100000039620 [0,2,0,0,0,0|2,0,0]=4 14849 B17R1.1059 CN(C)CCCCNC(=O)c1ccc(cc1)Br 240690a_100025707445_100000185839 [0,2,0,0,0,0|2,0,0]=4 14850 B17R1.1059 CN(C)CCCCNC(=O)c1ccc(cc1)Cl 240690a_100025707445_100000210187 [0,2,0,0,0,0|2,0,0]=4 14851 B17R1.1059 CN(C)CCCCNC(=O)c1ccc(cc1)F 240690a_100025707445_100000187176 [0,2,0,0,0,0|2,0,0]=4 14852 B17R1.1059 CN(C)CCCCNC(=O)c1ccc(cc1)I 240690a_100025707445_100000187904 [0,2,0,0,0,0|2,0,0]=4 14853 B17R1.1059 CN(C)CCCCNC(=O)c1ccc(cc1)O 240690a_100025707445_100000212099 [0,2,0,0,0,0|2,0,0]=4 14854 B17R1.1059 C[C@@H](Cl)COCCCC(=O)c1ccc(cc1)Br 34a_100016084084_100000211046 [0,2,0,0,0,0|2,0,0]=4 14855 B17R1.1059 C[C@@H](N)COCCCC(=O)c1ccc(cc1)Br 34a_100000737577_100000211046 [0,2,0,0,0,0|2,0,0]=4 14856 B17R1.1059 C[C@@H](O)CNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100009817552 [0,2,0,0,0,0|2,0,0]=4 14857 B17R1.1059 C[C@@H](O)CNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100009817552 [0,2,0,0,0,0|2,0,0]=4 14858 B17R1.1059 C[C@@H](O)CNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100009817552 [0,2,0,0,0,0|2,0,0]=4 14859 B17R1.1059 C[C@@H](O)CNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100009817552 [0,2,0,0,0,0|2,0,0]=4 14860 B17R1.1059 C[C@@H](O)COCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100009817552 [0,2,0,0,0,0|2,0,0]=4 14861 B17R1.1059 C[C@@H](O)COCCNC(=O)c1ccc(cc1)N 34a_100000740983_100009817552 [0,2,0,0,0,0|2,0,0]=4 14862 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100009817552 [0,2,0,0,0,0|2,0,0]=4 14863 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)Br 62a_100009817552_100000211046 [0,2,0,0,0,0|2,0,0]=4 14864 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)Cl 62a_100009817552_200011217871 [0,2,0,0,0,0|2,0,0]=4 14865 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100009817552 [0,2,0,0,0,0|2,0,0]=4 14866 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100009817552 [0,2,0,0,0,0|2,0,0]=4 14867 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)F 62a_100009817552_100000211961 [0,2,0,0,0,0|2,0,0]=4 14868 B17R1.1059 C[C@@H](O)CSCCCC(=O)c1ccc(cc1)O 62a_100009817552_100000039620 [0,2,0,0,0,0|2,0,0]=4 14869 B17R1.1059 Cc1ccc(cc1)C(=O)CCCCCC(C)C 1458a_100000188618_100000210682 [0,2,0,0,0,0|1,0,0]=3 14870 B17R1.1059 Cc1ccc(cc1)C(=O)CCNCCC(C)O 2230a_200000755665_100000701375 [0,2,0,0,0,0|2,0,0]=4 14871 B17R1.1059 Cc1ccc(cc1)C(=O)CCOCCC(C)C 7a_100000210254_100000701375 [0,2,0,0,0,0|2,0,0]=4 14872 B17R1.1059 Cc1ccc(cc1)C(=O)CCSCCC(C)C 62a_100000210312_100000701375 [0,2,0,0,0,0|2,0,0]=4 14873 B17R1.1059 Cc1ccc(cc1)C(=O)CCSCCC(C)C 62a_100000701375_100000210312 [0,2,0,0,0,0|2,0,0]=4 14874 B17R1.1059 Cc1ccc(cc1)C(=O)CCSCCC(C)O 62a_100000701375_100012276601 [0,2,0,0,0,0|2,0,0]=4 14875 B17R1.1059 Cc1ccc(cc1)C(=O)CCSCCC(C)O 62a_100012276601_100000701375 [0,2,0,0,0,0|2,0,0]=4 14876 B17R1.1059 Cc1ccc(cc1)C(=O)CNCCCC(C)C 2230a_200000737386_100000211441 [0,2,0,0,0,0|2,0,0]=4 14877 B17R1.1059 Cc1ccc(cc1)C(=O)CNCCCC(C)C 34a_200000737386_100000211441 [0,2,0,0,0,0|2,0,0]=4 14878 B17R1.1059 Cc1ccc(cc1)C(=O)COCCCC(C)C 34a_100000210774_100000211441 [0,2,0,0,0,0|2,0,0]=4 14879 B17R1.1059 Cc1ccc(cc1)C(=O)COCCCC(C)C 7a_100000210774_100000211441 [0,2,0,0,0,0|2,0,0]=4 14880 B17R1.1059 Cc1ccc(cc1)C(=O)CSCCCC(C)C 62a_100000211441_100011214892 [0,2,0,0,0,0|2,0,0]=4 14881 B17R1.1059 Cc1ccc(cc1)C(=O)CSCCCC(C)C 62a_100011214892_100000211441 [0,2,0,0,0,0|2,0,0]=4 14882 B17R1.1059 Cc1ccc(cc1)C(=O)CSCCCC(C)O 62a_100000211441_200000718107 [0,2,0,0,0,0|2,0,0]=4 14883 B17R1.1059 Cc1ccc(cc1)C(=O)CSCCCC(C)O 62a_200000718107_100000211441 [0,2,0,0,0,0|2,0,0]=4 14884 B17R1.1059 Cc1ccc(cc1)C(=O)NCCCCN(C)C 240690a_100025707445_100000188618 [0,2,0,0,0,0|2,0,0]=4 14885 B17R1.1059 Cc1ccc(cc1)C(=O)NCCCOC(C)C 11a_100000737246_100000188618 [0,2,0,0,0,0|2,0,0]=4 14886 B17R1.1059 Cc1ccc(cc1)C(=O)NCCCOC(C)C 1626a_100000737246_100000188618 [0,2,0,0,0,0|2,0,0]=4 14887 B17R1.1059 Cc1ccc(cc1)C(=O)NCCCOC(C)C 240690a_100000737246_100000188618 [0,2,0,0,0,0|2,0,0]=4 14888 B17R1.1059 Cc1ccc(cc1)C(=O)NCCCOC(C)C 527a_100000737246_100000188618 [0,2,0,0,0,0|2,0,0]=4 14889 B17R1.1059 Cc1ccc(cc1)C(=O)NCCOCC(C)C 34a_200000158910_100000210624 [0,2,0,0,0,0|2,0,0]=4 14890 B17R1.1059 Cc1ccc(cc1)C(=O)NCCOCC(C)C 7a_200000158910_100000210760 [0,2,0,0,0,0|2,0,0]=4 14891 B17R1.1059 Cc1ccc(cc1)C(=O)NCCOCC(C)O 34a_200000158910_100011218427 [0,2,0,0,0,0|2,0,0]=4 14892 B17R1.1059 Cc1ccc(cc1)C(=O)NCCOCC(C)O 7a_200000158910_100011218427 [0,2,0,0,0,0|2,0,0]=4 14893 B17R1.1059 Cc1ccc(cc1)C(=O)NCCOC[C@@H](C)O 34a_200000158910_100009817552 [0,2,0,0,0,0|2,0,0]=4 14894 B17R1.1059 Cc1ccc(cc1)C(=O)NCCOC[C@@H](C)O 7a_200000158910_100009817552 [0,2,0,0,0,0|2,0,0]=4 14895 B17R1.1059 Cc1ccc(cc1)C(=O)OCCOCC(C)C 7a_200000031072_100000210760 [0,2,0,0,0,0|1,0,0]=3 14896 B17R1.1059 Cc1ccc(cc1)C(=O)OCCOCC(C)O 7a_200000031072_100011218427 [0,2,0,0,0,0|1,0,0]=3 14897 B17R1.1059 Cc1ccc(cc1)C(=O)OCCOCC(F)F 7a_200000031072_100011934356 [0,2,0,0,0,0|2,0,0]=4 14898 B17R1.1059 Cc1ccc(cc1)C(=O)OCCOC[C@@H](C)O 7a_200000031072_100009817552 [0,2,0,0,0,0|1,0,0]=3 14899 B17R1.1059 Cc1ccc(cc1)C(C)OCCCCC(C)C 34a_100011214890_100011261388 [0,2,0,0,0,0|1,0,1]=4 14900 B17R1.1059 Cc1ccc(cc1)C(C)OCCCCC(C)C 7a_100011214890_100011261388 [0,2,0,0,0,0|1,0,1]=4 14901 B17R1.1059 Cc1ccc(cc1)[C@@H](C)OCCCCC(C)C 34a_100000690690_100011216152 [0,2,0,0,0,0|1,0,1]=4 14902 B17R1.1059 Cc1ccc(cc1)[C@@H](C)OCCCCC(C)C 7a_100000690690_100011216152 [0,2,0,0,0,0|1,0,1]=4 14903 B17R1.1059 [2H]C(OCCCCC(C)C)c1ccc(cc1)F 34a_217856618577_100011216152 [0,2,0,0,0,0|1,0,1]=4 14904 B17R1.1059 [2H]C(OCCCCC(C)C)c1ccc(cc1)F 7a_217856618577_100011216152 [0,2,0,0,0,0|1,0,1]=4 14905 B17R1.1185 CCC(=O)CCCNC(=O)c1ccc(cc1)Cl 1458a_100000182664_100000210202 [0,2,0,0,0,0|1,0,1]=4 14906 B17R1.1185 CCC(=O)CCCNC(=O)c1ccc(cc1)F 1458a_100000194746_100000210202 [0,2,0,0,0,0|1,0,1]=4 14907 B17R1.1185 CCC(C)CCCOC(C)c1ccc(cc1)C 7a_100011216074_100011261388 [0,2,0,0,0,0|1,0,1]=4 14908 B17R1.1185 CCC(C)CCCOC(C)c1ccc(cc1)Cl 7a_100011216074_100000684792 [0,2,0,0,0,0|1,0,1]=4 14909 B17R1.1185 CCC(C)CCCOC(C)c1ccc(cc1)F 7a_100011216074_100000743420 [0,2,0,0,0,0|1,0,1]=4 14910 B17R1.1185 CCC(C)CCNCC(=O)c1ccc(cc1)C 2230a_100020591266_100000211441 [0,2,0,0,0,0|2,0,0]=4 14911 B17R1.1185 CCC(C)CCOCC(=O)c1ccc(cc1)Br 7a_100011215188_100000188085 [0,2,0,0,0,0|2,0,0]=4 14912 B17R1.1185 CCC(C)CCOCC(=O)c1ccc(cc1)C 7a_100011215188_100000211441 [0,2,0,0,0,0|2,0,0]=4 14913 B17R1.1185 CCC(C)CCOCC(=O)c1ccc(cc1)Cl 7a_100011215188_100000211071 [0,2,0,0,0,0|2,0,0]=4 14914 B17R1.1185 CCC(C)CCOCC(=O)c1ccc(cc1)F 7a_100011215188_100000211279 [0,2,0,0,0,0|2,0,0]=4 14915 B17R1.1185 CCC(C)CCOCC(=O)c1ccc(cc1)I 7a_100011215188_100011216261 [0,2,0,0,0,0|2,0,0]=4 14916 B17R1.1185 CCC(C)CCOCC(=O)c1ccc(cc1)O 7a_100011215188_100000018856 [0,2,0,0,0,0|2,0,0]=4 14917 B17R1.1185 CCC(C)CNCCC(=O)c1ccc(cc1)C 2230a_100020588543_100000701375 [0,2,0,0,0,0|2,0,0]=4 14918 B17R1.1185 CCC(C)CNCCC(=O)c1ccc(cc1)F 2230a_100020588543_100000211231 [0,2,0,0,0,0|2,0,0]=4 14919 B17R1.1185 CCC(C)CNCCC(=O)c1ccc(cc1)O 2230a_100020588543_100009879949 [0,2,0,0,0,0|2,0,0]=4 14920 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)Br 62a_100000748023_100011215963 [0,2,0,0,0,0|2,0,0]=4 14921 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000748023 [0,2,0,0,0,0|2,0,0]=4 14922 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000748023 [0,2,0,0,0,0|2,0,0]=4 14923 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)C 62a_100000748023_100000701375 [0,2,0,0,0,0|2,0,0]=4 14924 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)Cl 62a_100000748023_100011216492 [0,2,0,0,0,0|2,0,0]=4 14925 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000748023 [0,2,0,0,0,0|2,0,0]=4 14926 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000748023 [0,2,0,0,0,0|2,0,0]=4 14927 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)F 62a_100000748023_100000211231 [0,2,0,0,0,0|2,0,0]=4 14928 B17R1.1185 CCC(C)CSCCC(=O)c1ccc(cc1)O 62a_100000748023_100009879949 [0,2,0,0,0,0|2,0,0]=4 14929 B17R1.1185 CCC(C)NCCCC(=O)c1ccc(cc1)Br 2230a_100000209981_100000211046 [0,2,0,0,0,0|2,0,0]=4 14930 B17R1.1185 CCC(C)NCCCC(=O)c1ccc(cc1)F 2230a_100000209981_100000211961 [0,2,0,0,0,0|2,0,0]=4 14931 B17R1.1185 CCC(C)NCCCC(=O)c1ccc(cc1)O 2230a_100000209981_100000039620 [0,2,0,0,0,0|2,0,0]=4 14932 B17R1.1185 CCC(C)NCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000758301 [0,2,0,0,0,0|2,0,0]=4 14933 B17R1.1185 CCC(C)NCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100011215416 [0,2,0,0,0,0|2,0,0]=4 14934 B17R1.1185 CCC(C)NCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000758301 [0,2,0,0,0,0|2,0,0]=4 14935 B17R1.1185 CCC(C)NCCNC(=O)c1ccc(cc1)F 34a_100000753910_100011215416 [0,2,0,0,0,0|2,0,0]=4 14936 B17R1.1185 CCC(C)OCCCC(=O)c1ccc(cc1)Br 7a_100000210228_100000211046 [0,2,0,0,0,0|2,0,0]=4 14937 B17R1.1185 CCC(C)OCCCC(=O)c1ccc(cc1)Cl 7a_100000210228_200011217871 [0,2,0,0,0,0|2,0,0]=4 14938 B17R1.1185 CCC(C)OCCCC(=O)c1ccc(cc1)F 7a_100000210228_100000211961 [0,2,0,0,0,0|2,0,0]=4 14939 B17R1.1185 CCC(C)OCCCC(=O)c1ccc(cc1)O 7a_100000210228_100000039620 [0,2,0,0,0,0|2,0,0]=4 14940 B17R1.1185 CCC(C)OCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100011215416 [0,2,0,0,0,0|2,0,0]=4 14941 B17R1.1185 CCC(C)OCCNC(=O)c1ccc(cc1)C 34a_200000158910_100011215416 [0,2,0,0,0,0|2,0,0]=4 14942 B17R1.1185 CCC(C)OCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000758301 [0,2,0,0,0,0|2,0,0]=4 14943 B17R1.1185 CCC(C)OCCNC(=O)c1ccc(cc1)N 34a_100000740983_100011215416 [0,2,0,0,0,0|2,0,0]=4 14944 B17R1.1185 CCC(C)OCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000758301 [0,2,0,0,0,0|1,0,0]=3 14945 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000758301 [0,2,0,0,0,0|2,0,0]=4 14946 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)Br 62a_100000758301_100000211046 [0,2,0,0,0,0|2,0,0]=4 14947 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)Cl 62a_100000758301_200011217871 [0,2,0,0,0,0|2,0,0]=4 14948 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000758301 [0,2,0,0,0,0|2,0,0]=4 14949 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000758301 [0,2,0,0,0,0|2,0,0]=4 14950 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)F 62a_100000758301_100000211961 [0,2,0,0,0,0|2,0,0]=4 14951 B17R1.1185 CCC(C)SCCCC(=O)c1ccc(cc1)O 62a_100000758301_100000039620 [0,2,0,0,0,0|2,0,0]=4 14952 B17R1.1185 CCC(O)CNCCC(=O)c1ccc(cc1)C 2230a_100011218483_100000701375 [0,2,0,0,0,0|2,0,0]=4 14953 B17R1.1185 CCC(O)CNCCC(=O)c1ccc(cc1)F 2230a_100011218483_100000211231 [0,2,0,0,0,0|2,0,0]=4 14954 B17R1.1185 CCC(O)CNCCC(=O)c1ccc(cc1)O 2230a_100011218483_100009879949 [0,2,0,0,0,0|2,0,0]=4 14955 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100011218378 [0,2,0,0,0,0|2,0,0]=4 14956 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)Br 62a_100011218378_100011215963 [0,2,0,0,0,0|2,0,0]=4 14957 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)C 62a_100000701375_100011218378 [0,2,0,0,0,0|2,0,0]=4 14958 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)C 62a_100011218378_100000701375 [0,2,0,0,0,0|2,0,0]=4 14959 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100011218378 [0,2,0,0,0,0|2,0,0]=4 14960 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)Cl 62a_100011218378_100011216492 [0,2,0,0,0,0|2,0,0]=4 14961 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)F 62a_100000211231_100011218378 [0,2,0,0,0,0|2,0,0]=4 14962 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)F 62a_100011218378_100000211231 [0,2,0,0,0,0|2,0,0]=4 14963 B17R1.1185 CCC(O)CSCCC(=O)c1ccc(cc1)O 62a_100011218378_100009879949 [0,2,0,0,0,0|2,0,0]=4 14964 B17R1.1185 CC[C@H](C)COCCC(=O)c1ccc(cc1)Br 7a_100009816381_100011215963 [0,2,0,0,0,0|2,0,0]=4 14965 B17R1.1185 CC[C@H](C)COCCC(=O)c1ccc(cc1)C 7a_100009816381_100000701375 [0,2,0,0,0,0|2,0,0]=4 14966 B17R1.1185 CC[C@H](C)COCCC(=O)c1ccc(cc1)Cl 7a_100009816381_100011216492 [0,2,0,0,0,0|2,0,0]=4 14967 B17R1.1185 CC[C@H](C)COCCC(=O)c1ccc(cc1)F 7a_100009816381_100000211231 [0,2,0,0,0,0|2,0,0]=4 14968 B17R1.1185 CC[C@H](C)COCCC(=O)c1ccc(cc1)O 7a_100009816381_100009879949 [0,2,0,0,0,0|2,0,0]=4 14969 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)Br 62a_100009816398_100011215963 [0,2,0,0,0,0|2,0,0]=4 14970 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100009816398 [0,2,0,0,0,0|2,0,0]=4 14971 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)C 62a_100000701375_100009816398 [0,2,0,0,0,0|2,0,0]=4 14972 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)C 62a_100009816398_100000701375 [0,2,0,0,0,0|2,0,0]=4 14973 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)Cl 62a_100009816398_100011216492 [0,2,0,0,0,0|2,0,0]=4 14974 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100009816398 [0,2,0,0,0,0|2,0,0]=4 14975 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)F 62a_100000211231_100009816398 [0,2,0,0,0,0|2,0,0]=4 14976 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)F 62a_100009816398_100000211231 [0,2,0,0,0,0|2,0,0]=4 14977 B17R1.1185 CC[C@H](C)CSCCC(=O)c1ccc(cc1)O 62a_100009816398_100009879949 [0,2,0,0,0,0|2,0,0]=4 14978 B17R1.1185 Cc1ccc(cc1)C(=O)OCCOC(C)CO 7a_200000031072_100012180447 [0,2,0,0,0,0|2,0,0]=4 14979 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)Br 270084a_100000210581_100000182491 [0,2,0,0,0,0|2,0,0]=4 14980 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)Br 274078a_100000210581_100000182491 [0,2,0,0,0,0|2,0,0]=4 14981 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)Br 40a_100000210581_100010306709 [0,2,0,0,0,0|2,0,0]=4 14982 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)C 270084a_100000210581_100000211267 [0,2,0,0,0,0|2,0,0]=4 14983 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)C 274078a_100000210581_100000211267 [0,2,0,0,0,0|2,0,0]=4 14984 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)C 40a_100000210581_100000039673 [0,2,0,0,0,0|2,0,0]=4 14985 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)Cl 270084a_100000210581_100000209962 [0,2,0,0,0,0|2,0,0]=4 14986 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)Cl 274078a_100000210581_100000209962 [0,2,0,0,0,0|2,0,0]=4 14987 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)Cl 40a_100000210581_100000077732 [0,2,0,0,0,0|2,0,0]=4 14988 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)F 270084a_100000210581_100000184267 [0,2,0,0,0,0|2,0,0]=4 14989 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)F 274078a_100000210581_100000184267 [0,2,0,0,0,0|2,0,0]=4 14990 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)F 40a_100000210581_100000081159 [0,2,0,0,0,0|2,0,0]=4 14991 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)I 270084a_100000210581_100011205396 [0,2,0,0,0,0|2,0,0]=4 14992 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)I 274078a_100000210581_100011205396 [0,2,0,0,0,0|2,0,0]=4 14993 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)N 40a_100000210581_100000054796 [0,2,0,0,0,0|2,0,0]=4 14994 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)O 270084a_100000210581_100020667864 [0,2,0,0,0,0|2,0,0]=4 14995 B17R1.1246 CCCCCCNS(=O)(=O)c1ccc(cc1)O 274078a_100000210581_100020667864 [0,2,0,0,0,0|2,0,0]=4 14996 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)Br 34a_100000753367_100000210314 [0,2,0,0,0,0|1,0,1]=4 14997 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)Br 7a_100000753367_100000210314 [0,2,0,0,0,0|1,0,1]=4 14998 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210314 [0,2,0,0,0,0|1,0,1]=4 14999 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210314 [0,2,0,0,0,0|1,0,1]=4 15000 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)Cl 34a_100000750429_100000210314 [0,2,0,0,0,0|1,0,1]=4 15001 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)Cl 7a_100000750429_100000210314 [0,2,0,0,0,0|1,0,1]=4 15002 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)F 34a_100011219992_100000210314 [0,2,0,0,0,0|1,0,1]=4 15003 B17R1.1246 CCCCCCOC(C)(C)c1ccc(cc1)F 7a_100011219992_100000210314 [0,2,0,0,0,0|1,0,1]=4 15004 B17R1.1246 CCCOCCOS(=O)(=O)c1ccc(cc1)C 34a_100000210258_100000032129 [0,2,0,0,0,0|2,0,0]=4 15005 B17R1.1246 CCCOCCOS(=O)(=O)c1ccc(cc1)C 7a_100011004641_100000210303 [0,2,0,0,0,0|2,0,0]=4 15006 B17R1.1246 CCCSCCOS(=O)(=O)c1ccc(cc1)C 62a_100000210303_100000032129 [0,2,0,0,0,0|2,0,0]=4 15007 B17R1.1246 CCNCCCOS(=O)(=O)c1ccc(cc1)C 2230a_100015525214_100009992650 [0,2,0,0,0,0|2,0,0]=4 15008 B17R1.1246 CCOCCCOS(=O)(=O)c1ccc(cc1)C 34a_100121572206_100009992650 [0,2,0,0,0,0|2,0,0]=4 15009 B17R1.1246 CCSCCCOS(=O)(=O)c1ccc(cc1)C 62a_100000210202_100009992650 [0,2,0,0,0,0|2,0,0]=4 15010 B17R1.9256 C#Cc1ccc(cc1)C(=O)CCCCCCC 1458a_100011217615_100000210614 [0,2,0,0,0,0|1,0,0]=3 15011 B17R1.9256 C#Cc1ccc(cc1)C(=O)CCCCCCF 1458a_100011217615_100015922095 [0,2,0,0,0,0|2,0,0]=4 15012 B17R1.9256 C#Cc1ccc(cc1)C(=O)CCCCCCO 1458a_100011217615_100000766143 [0,2,0,0,0,0|2,0,0]=4 15013 B17R1.9256 C#Cc1ccc(cc1)C(=O)CCOCCCC 1458a_100011217615_100000743108 [0,2,0,0,0,0|2,0,0]=4 15014 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCCCC 11a_100000210581_100011217615 [0,2,0,0,0,0|1,0,0]=3 15015 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCCCC 1626a_100000210581_100011217615 [0,2,0,0,0,0|1,0,0]=3 15016 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCCCC 240690a_100000210581_100011217615 [0,2,0,0,0,0|1,0,0]=3 15017 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCCCC 527a_100000210581_100011217615 [0,2,0,0,0,0|1,0,0]=3 15018 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100011217615 [0,2,0,0,0,0|2,0,0]=4 15019 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCOCC 11a_100000210961_100011217615 [0,2,0,0,0,0|2,0,0]=4 15020 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCOCC 1626a_100000210961_100011217615 [0,2,0,0,0,0|2,0,0]=4 15021 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCOCC 240690a_100000210961_100011217615 [0,2,0,0,0,0|2,0,0]=4 15022 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCCOCC 527a_100000210961_100011217615 [0,2,0,0,0,0|2,0,0]=4 15023 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCOCCC 1626a_100161115042_100011217615 [0,2,0,0,0,0|2,0,0]=4 15024 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCOCCC 240690a_100161115042_100011217615 [0,2,0,0,0,0|2,0,0]=4 15025 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCOCCC 527a_100161115042_100011217615 [0,2,0,0,0,0|2,0,0]=4 15026 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCSCCC 11a_100020603323_100011217615 [0,2,0,0,0,0|2,0,0]=4 15027 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCSCCC 240690a_100020603323_100011217615 [0,2,0,0,0,0|2,0,0]=4 15028 B17R1.9256 C#Cc1ccc(cc1)C(=O)NCCSCCC 527a_100020603323_100011217615 [0,2,0,0,0,0|2,0,0]=4 15029 B17R1.9256 C#Cc1ccc(cc1)C(=O)NNCCCCC 22a_100000694160_100011217615 [0,2,0,0,0,0|2,0,0]=4 15030 B17R1.9256 C=Cc1ccc(cc1)C(=O)CCCCCCC 1458a_100000687532_100000210614 [0,2,0,0,0,0|1,0,0]=3 15031 B17R1.9256 C=Cc1ccc(cc1)C(=O)CCCCCCF 1458a_100000687532_100015922095 [0,2,0,0,0,0|2,0,0]=4 15032 B17R1.9256 C=Cc1ccc(cc1)C(=O)CCCCCCO 1458a_100000687532_100000766143 [0,2,0,0,0,0|2,0,0]=4 15033 B17R1.9256 C=Cc1ccc(cc1)C(=O)CCOCCCC 1458a_100000687532_100000743108 [0,2,0,0,0,0|2,0,0]=4 15034 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCCCC 11a_100000210581_100000687532 [0,2,0,0,0,0|1,0,0]=3 15035 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCCCC 1626a_100000210581_100000687532 [0,2,0,0,0,0|1,0,0]=3 15036 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCCCC 240690a_100000210581_100000687532 [0,2,0,0,0,0|1,0,0]=3 15037 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCCCC 527a_100000210581_100000687532 [0,2,0,0,0,0|1,0,0]=3 15038 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100000687532 [0,2,0,0,0,0|2,0,0]=4 15039 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCOCC 11a_100000210961_100000687532 [0,2,0,0,0,0|2,0,0]=4 15040 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCOCC 1626a_100000210961_100000687532 [0,2,0,0,0,0|2,0,0]=4 15041 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCOCC 240690a_100000210961_100000687532 [0,2,0,0,0,0|2,0,0]=4 15042 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCCOCC 527a_100000210961_100000687532 [0,2,0,0,0,0|2,0,0]=4 15043 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCOCCC 1626a_100161115042_100000687532 [0,2,0,0,0,0|2,0,0]=4 15044 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCOCCC 240690a_100161115042_100000687532 [0,2,0,0,0,0|2,0,0]=4 15045 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCOCCC 527a_100161115042_100000687532 [0,2,0,0,0,0|2,0,0]=4 15046 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCSCCC 11a_100020603323_100000687532 [0,2,0,0,0,0|2,0,0]=4 15047 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCSCCC 240690a_100020603323_100000687532 [0,2,0,0,0,0|2,0,0]=4 15048 B17R1.9256 C=Cc1ccc(cc1)C(=O)NCCSCCC 527a_100020603323_100000687532 [0,2,0,0,0,0|2,0,0]=4 15049 B17R1.9256 C=Cc1ccc(cc1)C(=O)NNCCCCC 22a_100000694160_100000687532 [0,2,0,0,0,0|2,0,0]=4 15050 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000210614 [0,2,0,0,0,0|1,0,0]=3 15051 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210614 [0,2,0,0,0,0|1,0,0]=3 15052 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000210614 [0,2,0,0,0,0|1,0,0]=3 15053 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210614 [0,2,0,0,0,0|1,0,0]=3 15054 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)OC 34a_100000267763_200000210301 [0,2,0,0,0,0|1,0,0]=3 15055 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)OC 7a_100000267763_200000210301 [0,2,0,0,0,0|1,0,0]=3 15056 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)O[13CH3] 34a_100000267763_200025704644 [0,2,0,0,0,0|1,0,0]=3 15057 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)O[13CH3] 7a_100000267763_200025704644 [0,2,0,0,0,0|1,0,0]=3 15058 B17R1.9256 CCCCCCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000210614 [0,2,0,0,0,0|1,0,0]=3 15059 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)C#N 11a_100000210581_100000210717 [0,2,0,0,0,0|1,0,0]=3 15060 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)C#N 1626a_100000210581_100000210717 [0,2,0,0,0,0|1,0,0]=3 15061 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)C#N 240690a_100000210581_100000210717 [0,2,0,0,0,0|1,0,0]=3 15062 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)C#N 527a_100000210581_100000210717 [0,2,0,0,0,0|1,0,0]=3 15063 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CC 11a_100000210581_100000211226 [0,2,0,0,0,0|1,0,0]=3 15064 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CC 1626a_100000210581_100000211226 [0,2,0,0,0,0|1,0,0]=3 15065 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CC 240690a_100000210581_100000211226 [0,2,0,0,0,0|1,0,0]=3 15066 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CC 527a_100000210581_100000211226 [0,2,0,0,0,0|1,0,0]=3 15067 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CO 1626a_100000210581_100000183892 [0,2,0,0,0,0|1,0,0]=3 15068 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)CO 240690a_100000210581_100000183892 [0,2,0,0,0,0|1,0,0]=3 15069 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)OC 11a_100000210581_100000184203 [0,2,0,0,0,0|1,0,0]=3 15070 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)OC 1626a_100000210581_100000184203 [0,2,0,0,0,0|1,0,0]=3 15071 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)OC 240690a_100000210581_100000184203 [0,2,0,0,0,0|1,0,0]=3 15072 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)OC 527a_100000210581_100000184203 [0,2,0,0,0,0|1,0,0]=3 15073 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)SC 11a_100000210581_100000189692 [0,2,0,0,0,0|1,0,0]=3 15074 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)SC 1626a_100000210581_100000189692 [0,2,0,0,0,0|1,0,0]=3 15075 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)SC 240690a_100000210581_100000189692 [0,2,0,0,0,0|1,0,0]=3 15076 B17R1.9256 CCCCCCNC(=O)c1ccc(cc1)SC 527a_100000210581_100000189692 [0,2,0,0,0,0|1,0,0]=3 15077 B17R1.9256 CCCCCCOC(=O)c1ccc(cc1)OC 34a_100000037272_200000210301 [0,2,0,0,0,0|0,0,0]=2 15078 B17R1.9256 CCCCCCOC(=O)c1ccc(cc1)OC 7a_100000037272_200000210301 [0,2,0,0,0,0|0,0,0]=2 15079 B17R1.9256 CCCCCCOC(=O)c1ccc(cc1)O[13CH3] 34a_100000037272_200025704644 [0,2,0,0,0,0|0,0,0]=2 15080 B17R1.9256 CCCCCCOC(=O)c1ccc(cc1)O[13CH3] 7a_100000037272_200025704644 [0,2,0,0,0,0|0,0,0]=2 15081 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210314 [0,2,0,0,0,0|1,0,1]=4 15082 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210314 [0,2,0,0,0,0|1,0,1]=4 15083 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210314 [0,2,0,0,0,0|1,0,1]=4 15084 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210314 [0,2,0,0,0,0|1,0,1]=4 15085 B17R1.9256 CCCCCCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210314 [0,2,0,0,0,0|1,0,1]=4 15086 B17R1.9256 CCCCCCO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_100000210314 [0,2,0,0,0,0|1,0,1]=4 15087 B17R1.9256 CCCCCCO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_100000210314 [0,2,0,0,0,0|1,0,1]=4 15088 B17R1.9256 CCCCCNCC(=O)c1ccc(cc1)C#N 2230a_100000209983_100000212069 [0,2,0,0,0,0|2,0,0]=4 15089 B17R1.9256 CCCCCNCC(=O)c1ccc(cc1)CC 2230a_100000209983_100000689809 [0,2,0,0,0,0|2,0,0]=4 15090 B17R1.9256 CCCCCNCC(=O)c1ccc(cc1)OC 2230a_100000209983_100000212054 [0,2,0,0,0,0|2,0,0]=4 15091 B17R1.9256 CCCCCNCC(=O)c1ccc(cc1)SC 2230a_100000209983_100011216809 [0,2,0,0,0,0|2,0,0]=4 15092 B17R1.9256 CCCCCNNC(=O)c1ccc(cc1)C#N 22a_100000694160_100000210717 [0,2,0,0,0,0|2,0,0]=4 15093 B17R1.9256 CCCCCNNC(=O)c1ccc(cc1)CC 22a_100000694160_100000211226 [0,2,0,0,0,0|2,0,0]=4 15094 B17R1.9256 CCCCCNNC(=O)c1ccc(cc1)CO 22a_100000694160_100000183892 [0,2,0,0,0,0|2,0,0]=4 15095 B17R1.9256 CCCCCNNC(=O)c1ccc(cc1)OC 22a_100000694160_100000184203 [0,2,0,0,0,0|2,0,0]=4 15096 B17R1.9256 CCCCCNNC(=O)c1ccc(cc1)SC 22a_100000694160_100000189692 [0,2,0,0,0,0|2,0,0]=4 15097 B17R1.9256 CCCCCOCC(=O)c1ccc(cc1)C#N 34a_100011592799_100000718602 [0,2,0,0,0,0|2,0,0]=4 15098 B17R1.9256 CCCCCOCC(=O)c1ccc(cc1)CC 7a_100000210253_100000183122 [0,2,0,0,0,0|2,0,0]=4 15099 B17R1.9256 CCCCCOCC(=O)c1ccc(cc1)OC 7a_100000210253_100000212054 [0,2,0,0,0,0|2,0,0]=4 15100 B17R1.9256 CCCCCOCC(=O)c1ccc(cc1)SC 34a_100000210253_100011216809 [0,2,0,0,0,0|2,0,0]=4 15101 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)C#N 62a_100000210326_100000212069 [0,2,0,0,0,0|2,0,0]=4 15102 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)C#N 62a_100000212069_100000210326 [0,2,0,0,0,0|2,0,0]=4 15103 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)CC 62a_100000210326_100000689809 [0,2,0,0,0,0|2,0,0]=4 15104 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)CC 62a_100000689809_100000210326 [0,2,0,0,0,0|2,0,0]=4 15105 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)OC 62a_100000210326_100000212054 [0,2,0,0,0,0|2,0,0]=4 15106 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)OC 62a_100000212054_100000210326 [0,2,0,0,0,0|2,0,0]=4 15107 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)SC 62a_100000210326_100011216809 [0,2,0,0,0,0|2,0,0]=4 15108 B17R1.9256 CCCCCSCC(=O)c1ccc(cc1)SC 62a_100011216809_100000210326 [0,2,0,0,0,0|2,0,0]=4 15109 B17R1.9256 CCCCNCCC(=O)c1ccc(cc1)OC 2230a_100000102301_100000700936 [0,2,0,0,0,0|2,0,0]=4 15110 B17R1.9256 CCCCNCCC(=O)c1ccc(cc1)OC 7a_106832991798_100000700936 [0,2,0,0,0,0|2,0,0]=4 15111 B17R1.9256 CCCCOCCC(=O)c1ccc(cc1)C#N 1458a_100000210717_100000743108 [0,2,0,0,0,0|2,0,0]=4 15112 B17R1.9256 CCCCOCCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000743108 [0,2,0,0,0,0|2,0,0]=4 15113 B17R1.9256 CCCCOCCC(=O)c1ccc(cc1)CO 1458a_100000183892_100000743108 [0,2,0,0,0,0|2,0,0]=4 15114 B17R1.9256 CCCCOCCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000743108 [0,2,0,0,0,0|2,0,0]=4 15115 B17R1.9256 CCCCOCCC(=O)c1ccc(cc1)OC 7a_100000210227_100000700936 [0,2,0,0,0,0|2,0,0]=4 15116 B17R1.9256 CCCCOCCC(=O)c1ccc(cc1)SC 1458a_100000189692_100000743108 [0,2,0,0,0,0|2,0,0]=4 15117 B17R1.9256 CCCCSCCC(=O)c1ccc(cc1)OC 62a_100000210211_100000700936 [0,2,0,0,0,0|2,0,0]=4 15118 B17R1.9256 CCCNCCNC(=O)c1ccc(cc1)OC 2230a_100000741995_100000210303 [0,2,0,0,0,0|2,0,0]=4 15119 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)C#N 1626a_100161115042_100000210717 [0,2,0,0,0,0|2,0,0]=4 15120 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)C#N 240690a_100161115042_100000210717 [0,2,0,0,0,0|2,0,0]=4 15121 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)C#N 527a_100161115042_100000210717 [0,2,0,0,0,0|2,0,0]=4 15122 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)CC 1626a_100161115042_100000211226 [0,2,0,0,0,0|2,0,0]=4 15123 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)CC 240690a_100161115042_100000211226 [0,2,0,0,0,0|2,0,0]=4 15124 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)CC 527a_100161115042_100000211226 [0,2,0,0,0,0|2,0,0]=4 15125 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)CO 1626a_100161115042_100000183892 [0,2,0,0,0,0|2,0,0]=4 15126 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)CO 240690a_100161115042_100000183892 [0,2,0,0,0,0|2,0,0]=4 15127 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)OC 1626a_100161115042_100000184203 [0,2,0,0,0,0|2,0,0]=4 15128 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)OC 240690a_100161115042_100000184203 [0,2,0,0,0,0|2,0,0]=4 15129 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)OC 527a_100161115042_100000184203 [0,2,0,0,0,0|2,0,0]=4 15130 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)SC 1626a_100161115042_100000189692 [0,2,0,0,0,0|2,0,0]=4 15131 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)SC 240690a_100161115042_100000189692 [0,2,0,0,0,0|2,0,0]=4 15132 B17R1.9256 CCCOCCNC(=O)c1ccc(cc1)SC 527a_100161115042_100000189692 [0,2,0,0,0,0|2,0,0]=4 15133 B17R1.9256 CCCSCCCC(=O)c1ccc(cc1)OC 62a_100000210303_200011215095 [0,2,0,0,0,0|2,0,0]=4 15134 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)C#N 11a_100020603323_100000210717 [0,2,0,0,0,0|2,0,0]=4 15135 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)C#N 240690a_100020603323_100000210717 [0,2,0,0,0,0|2,0,0]=4 15136 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)C#N 527a_100020603323_100000210717 [0,2,0,0,0,0|2,0,0]=4 15137 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)CC 11a_100020603323_100000211226 [0,2,0,0,0,0|2,0,0]=4 15138 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)CC 240690a_100020603323_100000211226 [0,2,0,0,0,0|2,0,0]=4 15139 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)CC 527a_100020603323_100000211226 [0,2,0,0,0,0|2,0,0]=4 15140 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)CO 240690a_100020603323_100000183892 [0,2,0,0,0,0|2,0,0]=4 15141 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)OC 11a_100020603323_100000184203 [0,2,0,0,0,0|2,0,0]=4 15142 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)OC 240690a_100020603323_100000184203 [0,2,0,0,0,0|2,0,0]=4 15143 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)OC 527a_100020603323_100000184203 [0,2,0,0,0,0|2,0,0]=4 15144 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)SC 11a_100020603323_100000189692 [0,2,0,0,0,0|2,0,0]=4 15145 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)SC 240690a_100020603323_100000189692 [0,2,0,0,0,0|2,0,0]=4 15146 B17R1.9256 CCCSCCNC(=O)c1ccc(cc1)SC 527a_100020603323_100000189692 [0,2,0,0,0,0|2,0,0]=4 15147 B17R1.9256 CCNCCCCC(=O)c1ccc(cc1)OC 2230a_100015525214_100009996809 [0,2,0,0,0,0|2,0,0]=4 15148 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)C#N 11a_100000210961_100000210717 [0,2,0,0,0,0|2,0,0]=4 15149 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)C#N 1626a_100000210961_100000210717 [0,2,0,0,0,0|2,0,0]=4 15150 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)C#N 240690a_100000210961_100000210717 [0,2,0,0,0,0|2,0,0]=4 15151 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)C#N 527a_100000210961_100000210717 [0,2,0,0,0,0|2,0,0]=4 15152 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CC 11a_100000210961_100000211226 [0,2,0,0,0,0|2,0,0]=4 15153 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CC 1626a_100000210961_100000211226 [0,2,0,0,0,0|2,0,0]=4 15154 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CC 240690a_100000210961_100000211226 [0,2,0,0,0,0|2,0,0]=4 15155 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CC 527a_100000210961_100000211226 [0,2,0,0,0,0|2,0,0]=4 15156 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CO 1626a_100000210961_100000183892 [0,2,0,0,0,0|2,0,0]=4 15157 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)CO 240690a_100000210961_100000183892 [0,2,0,0,0,0|2,0,0]=4 15158 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)OC 11a_100000210961_100000184203 [0,2,0,0,0,0|2,0,0]=4 15159 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)OC 1626a_100000210961_100000184203 [0,2,0,0,0,0|2,0,0]=4 15160 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)OC 240690a_100000210961_100000184203 [0,2,0,0,0,0|2,0,0]=4 15161 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)OC 527a_100000210961_100000184203 [0,2,0,0,0,0|2,0,0]=4 15162 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)SC 11a_100000210961_100000189692 [0,2,0,0,0,0|2,0,0]=4 15163 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)SC 1626a_100000210961_100000189692 [0,2,0,0,0,0|2,0,0]=4 15164 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)SC 240690a_100000210961_100000189692 [0,2,0,0,0,0|2,0,0]=4 15165 B17R1.9256 CCOCCCNC(=O)c1ccc(cc1)SC 527a_100000210961_100000189692 [0,2,0,0,0,0|2,0,0]=4 15166 B17R1.9256 CCSCCCCC(=O)c1ccc(cc1)OC 62a_100000210202_100009996809 [0,2,0,0,0,0|2,0,0]=4 15167 B17R1.9256 CCc1ccc(cc1)C(=O)CCCCCCF 1458a_100000211226_100015922095 [0,2,0,0,0,0|2,0,0]=4 15168 B17R1.9256 CCc1ccc(cc1)C(=O)CCCCCCO 1458a_100000211226_100000766143 [0,2,0,0,0,0|2,0,0]=4 15169 B17R1.9256 CCc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100000211226 [0,2,0,0,0,0|2,0,0]=4 15170 B17R1.9256 COc1ccc(cc1)C(=O)CCCCCCF 1458a_100000184203_100015922095 [0,2,0,0,0,0|2,0,0]=4 15171 B17R1.9256 COc1ccc(cc1)C(=O)CCCCCCO 1458a_100000184203_100000766143 [0,2,0,0,0,0|2,0,0]=4 15172 B17R1.9256 COc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100000184203 [0,2,0,0,0,0|2,0,0]=4 15173 B17R1.9256 CSc1ccc(cc1)C(=O)CCCCCCF 1458a_100000189692_100015922095 [0,2,0,0,0,0|2,0,0]=4 15174 B17R1.9256 CSc1ccc(cc1)C(=O)CCCCCCO 1458a_100000189692_100000766143 [0,2,0,0,0,0|2,0,0]=4 15175 B17R1.9256 CSc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100000189692 [0,2,0,0,0,0|2,0,0]=4 15176 B17R1.9256 N#Cc1ccc(cc1)C(=O)CCCCCCF 1458a_100000210717_100015922095 [0,2,0,0,0,0|2,0,0]=4 15177 B17R1.9256 N#Cc1ccc(cc1)C(=O)CCCCCCO 1458a_100000210717_100000766143 [0,2,0,0,0,0|2,0,0]=4 15178 B17R1.9256 N#Cc1ccc(cc1)C(=O)NCCCCCO 240690a_100000762737_100000210717 [0,2,0,0,0,0|2,0,0]=4 15179 B17R1.9256 O=C(CCCCCCF)c1ccc(cc1)CO 1458a_100000183892_100015922095 [0,2,0,0,0,0|2,0,0]=4 15180 B17R1.9256 O=C(CCCCCCO)c1ccc(cc1)CO 1458a_100000183892_100000766143 [0,2,0,0,0,0|2,0,0]=4 15181 B17R1.9256 O=C(NCCCCCO)c1ccc(cc1)CO 240690a_100000762737_100000183892 [0,2,0,0,0,0|2,0,0]=4 15182 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210614 [0,2,0,0,0,0|1,0,0]=3 15183 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210614 [0,2,0,0,0,0|1,0,0]=3 15184 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210614 [0,2,0,0,0,0|1,0,0]=3 15185 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210614 [0,2,0,0,0,0|1,0,0]=3 15186 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210614 [0,2,0,0,0,0|1,0,0]=3 15187 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210614 [0,2,0,0,0,0|1,0,0]=3 15188 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210614 [0,2,0,0,0,0|1,0,0]=3 15189 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210614 [0,2,0,0,0,0|1,0,0]=3 15190 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210614 [0,2,0,0,0,0|1,0,0]=3 15191 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210614 [0,2,0,0,0,0|1,0,0]=3 15192 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210614 [0,2,0,0,0,0|1,0,0]=3 15193 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210614 [0,2,0,0,0,0|1,0,0]=3 15194 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210614 [0,2,0,0,0,0|1,0,0]=3 15195 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210614 [0,2,0,0,0,0|1,0,0]=3 15196 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210614 [0,2,0,0,0,0|1,0,0]=3 15197 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210614 [0,2,0,0,0,0|1,0,0]=3 15198 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210614 [0,2,0,0,0,0|1,0,0]=3 15199 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210614 [0,2,0,0,0,0|1,0,0]=3 15200 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210614 [0,2,0,0,0,0|1,0,0]=3 15201 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210614 [0,2,0,0,0,0|1,0,0]=3 15202 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210614 [0,2,0,0,0,0|1,0,0]=3 15203 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210614 [0,2,0,0,0,0|1,0,0]=3 15204 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210614 [0,2,0,0,0,0|1,0,0]=3 15205 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210614 [0,2,0,0,0,0|1,0,0]=3 15206 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210614 [0,2,0,0,0,0|1,0,0]=3 15207 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210614 [0,2,0,0,0,0|1,0,0]=3 15208 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210614 [0,2,0,0,0,0|1,0,0]=3 15209 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210614 [0,2,0,0,0,0|1,0,0]=3 15210 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210614 [0,2,0,0,0,0|1,0,0]=3 15211 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210614 [0,2,0,0,0,0|1,0,0]=3 15212 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210614 [0,2,0,0,0,0|1,0,0]=3 15213 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210614 [0,2,0,0,0,0|1,0,0]=3 15214 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210614 [0,2,0,0,0,0|1,0,0]=3 15215 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210614 [0,2,0,0,0,0|1,0,0]=3 15216 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210614 [0,2,0,0,0,0|1,0,0]=3 15217 B17R1.9269 CCCCCCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210614 [0,2,0,0,0,0|1,0,0]=3 15218 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Br 11a_100000210581_100012339404 [0,2,0,0,0,0|1,0,0]=3 15219 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Br 1626a_100000210581_100012339404 [0,2,0,0,0,0|1,0,0]=3 15220 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Br 240690a_100000210581_100012339404 [0,2,0,0,0,0|1,0,0]=3 15221 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Br 527a_100000210581_100012339404 [0,2,0,0,0,0|1,0,0]=3 15222 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)C 11a_100000210581_100000186397 [0,2,0,0,0,0|1,0,0]=3 15223 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)C 1626a_100000210581_100000186397 [0,2,0,0,0,0|1,0,0]=3 15224 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)C 240690a_100000210581_100000186397 [0,2,0,0,0,0|1,0,0]=3 15225 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)C 527a_100000210581_100000186397 [0,2,0,0,0,0|1,0,0]=3 15226 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Cl 11a_100000210581_100000691181 [0,2,0,0,0,0|1,0,0]=3 15227 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Cl 1626a_100000210581_100000691181 [0,2,0,0,0,0|1,0,0]=3 15228 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100000210581_100000691181 [0,2,0,0,0,0|1,0,0]=3 15229 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)Cl 527a_100000210581_100000691181 [0,2,0,0,0,0|1,0,0]=3 15230 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)F 11a_100000210581_100000760357 [0,2,0,0,0,0|1,0,0]=3 15231 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)F 1626a_100000210581_100000760357 [0,2,0,0,0,0|1,0,0]=3 15232 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)F 240690a_100000210581_100000760357 [0,2,0,0,0,0|1,0,0]=3 15233 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)F 527a_100000210581_100000760357 [0,2,0,0,0,0|1,0,0]=3 15234 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)I 11a_100000210581_100000739115 [0,2,0,0,0,0|1,0,0]=3 15235 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)I 1626a_100000210581_100000739115 [0,2,0,0,0,0|1,0,0]=3 15236 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)I 240690a_100000210581_100000739115 [0,2,0,0,0,0|1,0,0]=3 15237 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)I 527a_100000210581_100000739115 [0,2,0,0,0,0|1,0,0]=3 15238 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Br)O 240690a_100000210581_100000189672 [0,2,0,0,0,0|1,0,0]=3 15239 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Br 11a_100000210581_100000692631 [0,2,0,0,0,0|1,0,0]=3 15240 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Br 1626a_100000210581_100000692631 [0,2,0,0,0,0|1,0,0]=3 15241 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Br 240690a_100000210581_100000692631 [0,2,0,0,0,0|1,0,0]=3 15242 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Br 527a_100000210581_100000692631 [0,2,0,0,0,0|1,0,0]=3 15243 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)C 11a_100000210581_100000210898 [0,2,0,0,0,0|1,0,0]=3 15244 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)C 1626a_100000210581_100000210898 [0,2,0,0,0,0|1,0,0]=3 15245 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)C 240690a_100000210581_100000210898 [0,2,0,0,0,0|1,0,0]=3 15246 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)C 527a_100000210581_100000210898 [0,2,0,0,0,0|1,0,0]=3 15247 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Cl 11a_100000210581_100000686306 [0,2,0,0,0,0|1,0,0]=3 15248 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Cl 1626a_100000210581_100000686306 [0,2,0,0,0,0|1,0,0]=3 15249 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Cl 240690a_100000210581_100000686306 [0,2,0,0,0,0|1,0,0]=3 15250 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)Cl 527a_100000210581_100000686306 [0,2,0,0,0,0|1,0,0]=3 15251 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)F 11a_100000210581_100000751819 [0,2,0,0,0,0|1,0,0]=3 15252 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)F 1626a_100000210581_100000751819 [0,2,0,0,0,0|1,0,0]=3 15253 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)F 240690a_100000210581_100000751819 [0,2,0,0,0,0|1,0,0]=3 15254 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)F 527a_100000210581_100000751819 [0,2,0,0,0,0|1,0,0]=3 15255 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)I 11a_100000210581_100000751300 [0,2,0,0,0,0|1,0,0]=3 15256 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)I 1626a_100000210581_100000751300 [0,2,0,0,0,0|1,0,0]=3 15257 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)I 240690a_100000210581_100000751300 [0,2,0,0,0,0|1,0,0]=3 15258 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)I 527a_100000210581_100000751300 [0,2,0,0,0,0|1,0,0]=3 15259 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)C)O 240690a_100000210581_100000685612 [0,2,0,0,0,0|1,0,0]=3 15260 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Br 11a_100000210581_100000687082 [0,2,0,0,0,0|1,0,0]=3 15261 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Br 1626a_100000210581_100000687082 [0,2,0,0,0,0|1,0,0]=3 15262 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100000210581_100000687082 [0,2,0,0,0,0|1,0,0]=3 15263 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Br 527a_100000210581_100000687082 [0,2,0,0,0,0|1,0,0]=3 15264 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)C 11a_100000210581_100000751740 [0,2,0,0,0,0|1,0,0]=3 15265 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)C 1626a_100000210581_100000751740 [0,2,0,0,0,0|1,0,0]=3 15266 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)C 240690a_100000210581_100000751740 [0,2,0,0,0,0|1,0,0]=3 15267 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)C 527a_100000210581_100000751740 [0,2,0,0,0,0|1,0,0]=3 15268 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100000210581_100000210401 [0,2,0,0,0,0|1,0,0]=3 15269 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100000210581_100000210401 [0,2,0,0,0,0|1,0,0]=3 15270 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100000210581_100000210401 [0,2,0,0,0,0|1,0,0]=3 15271 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100000210581_100000210401 [0,2,0,0,0,0|1,0,0]=3 15272 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)F 11a_100000210581_100000686462 [0,2,0,0,0,0|1,0,0]=3 15273 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)F 1626a_100000210581_100000686462 [0,2,0,0,0,0|1,0,0]=3 15274 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)F 240690a_100000210581_100000686462 [0,2,0,0,0,0|1,0,0]=3 15275 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)F 527a_100000210581_100000686462 [0,2,0,0,0,0|1,0,0]=3 15276 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)I 11a_100000210581_100000684831 [0,2,0,0,0,0|1,0,0]=3 15277 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)I 1626a_100000210581_100000684831 [0,2,0,0,0,0|1,0,0]=3 15278 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)I 240690a_100000210581_100000684831 [0,2,0,0,0,0|1,0,0]=3 15279 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)I 527a_100000210581_100000684831 [0,2,0,0,0,0|1,0,0]=3 15280 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100000210581_100000212196 [0,2,0,0,0,0|1,0,0]=3 15281 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)Cl)O 527a_100000210581_100000212196 [0,2,0,0,0,0|1,0,0]=3 15282 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Br 11a_100000210581_100000743946 [0,2,0,0,0,0|1,0,0]=3 15283 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Br 1626a_100000210581_100000743946 [0,2,0,0,0,0|1,0,0]=3 15284 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Br 240690a_100000210581_100000743946 [0,2,0,0,0,0|1,0,0]=3 15285 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Br 527a_100000210581_100000743946 [0,2,0,0,0,0|1,0,0]=3 15286 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)C 11a_100000210581_100000212313 [0,2,0,0,0,0|1,0,0]=3 15287 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)C 1626a_100000210581_100000212313 [0,2,0,0,0,0|1,0,0]=3 15288 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)C 240690a_100000210581_100000212313 [0,2,0,0,0,0|1,0,0]=3 15289 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)C 527a_100000210581_100000212313 [0,2,0,0,0,0|1,0,0]=3 15290 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Cl 11a_100000210581_100000743183 [0,2,0,0,0,0|1,0,0]=3 15291 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Cl 1626a_100000210581_100000743183 [0,2,0,0,0,0|1,0,0]=3 15292 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Cl 240690a_100000210581_100000743183 [0,2,0,0,0,0|1,0,0]=3 15293 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)Cl 527a_100000210581_100000743183 [0,2,0,0,0,0|1,0,0]=3 15294 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)F 11a_100000210581_100000209822 [0,2,0,0,0,0|1,0,0]=3 15295 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)F 1626a_100000210581_100000209822 [0,2,0,0,0,0|1,0,0]=3 15296 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)F 240690a_100000210581_100000209822 [0,2,0,0,0,0|1,0,0]=3 15297 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)F 527a_100000210581_100000209822 [0,2,0,0,0,0|1,0,0]=3 15298 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)I 11a_100000210581_100000062624 [0,2,0,0,0,0|1,0,0]=3 15299 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)I 1626a_100000210581_100000062624 [0,2,0,0,0,0|1,0,0]=3 15300 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)I 240690a_100000210581_100000062624 [0,2,0,0,0,0|1,0,0]=3 15301 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)I 527a_100000210581_100000062624 [0,2,0,0,0,0|1,0,0]=3 15302 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)O 240690a_100000210581_100000185466 [0,2,0,0,0,0|1,0,0]=3 15303 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)F)O 527a_100000210581_100000185466 [0,2,0,0,0,0|1,0,0]=3 15304 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Br 11a_100000210581_100012343876 [0,2,0,0,0,0|1,0,0]=3 15305 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Br 1626a_100000210581_100012343876 [0,2,0,0,0,0|1,0,0]=3 15306 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Br 240690a_100000210581_100012343876 [0,2,0,0,0,0|1,0,0]=3 15307 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Br 527a_100000210581_100012343876 [0,2,0,0,0,0|1,0,0]=3 15308 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)C 11a_100000210581_100000751299 [0,2,0,0,0,0|1,0,0]=3 15309 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)C 1626a_100000210581_100000751299 [0,2,0,0,0,0|1,0,0]=3 15310 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)C 240690a_100000210581_100000751299 [0,2,0,0,0,0|1,0,0]=3 15311 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)C 527a_100000210581_100000751299 [0,2,0,0,0,0|1,0,0]=3 15312 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Cl 11a_100000210581_100000739381 [0,2,0,0,0,0|1,0,0]=3 15313 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Cl 1626a_100000210581_100000739381 [0,2,0,0,0,0|1,0,0]=3 15314 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Cl 240690a_100000210581_100000739381 [0,2,0,0,0,0|1,0,0]=3 15315 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)Cl 527a_100000210581_100000739381 [0,2,0,0,0,0|1,0,0]=3 15316 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)F 11a_100000210581_100000688015 [0,2,0,0,0,0|1,0,0]=3 15317 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)F 1626a_100000210581_100000688015 [0,2,0,0,0,0|1,0,0]=3 15318 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)F 240690a_100000210581_100000688015 [0,2,0,0,0,0|1,0,0]=3 15319 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)F 527a_100000210581_100000688015 [0,2,0,0,0,0|1,0,0]=3 15320 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)I 11a_100000210581_100000725830 [0,2,0,0,0,0|1,0,0]=3 15321 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)I 1626a_100000210581_100000725830 [0,2,0,0,0,0|1,0,0]=3 15322 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)I 240690a_100000210581_100000725830 [0,2,0,0,0,0|1,0,0]=3 15323 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)I 527a_100000210581_100000725830 [0,2,0,0,0,0|1,0,0]=3 15324 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)O 1626a_100000210581_100000037485 [0,2,0,0,0,0|1,0,0]=3 15325 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)I)O 240690a_100000210581_100000037485 [0,2,0,0,0,0|1,0,0]=3 15326 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)Br 240690a_100000210581_100000689001 [0,2,0,0,0,0|1,0,0]=3 15327 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)Br 527a_100000210581_100000689001 [0,2,0,0,0,0|1,0,0]=3 15328 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)C 240690a_100000210581_100000233767 [0,2,0,0,0,0|1,0,0]=3 15329 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100000210581_100011933997 [0,2,0,0,0,0|1,0,0]=3 15330 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)Cl 527a_100000210581_100011933997 [0,2,0,0,0,0|1,0,0]=3 15331 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)F 240690a_100000210581_100000035894 [0,2,0,0,0,0|1,0,0]=3 15332 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)F 527a_100000210581_100000035894 [0,2,0,0,0,0|1,0,0]=3 15333 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)I 1626a_100000210581_100000239334 [0,2,0,0,0,0|1,0,0]=3 15334 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)I 240690a_100000210581_100000239334 [0,2,0,0,0,0|1,0,0]=3 15335 B17R1.9269 CCCCCCNC(=O)c1ccc(c(c1)O)I 527a_100000210581_100000239334 [0,2,0,0,0,0|1,0,0]=3 15336 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)Br)F 34a_100011191524_100000210314 [0,2,0,0,0,0|1,0,1]=4 15337 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)Br)F 7a_100011191524_100000210314 [0,2,0,0,0,0|1,0,1]=4 15338 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_100000210314 [0,2,0,0,0,0|1,0,1]=4 15339 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_100000210314 [0,2,0,0,0,0|1,0,1]=4 15340 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)F)Cl 34a_100011944057_100000210314 [0,2,0,0,0,0|1,0,1]=4 15341 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)F)Cl 7a_100011944057_100000210314 [0,2,0,0,0,0|1,0,1]=4 15342 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)F)F 34a_100000246517_100000210314 [0,2,0,0,0,0|1,0,1]=4 15343 B17R1.9269 CCCCCCOC(C)c1ccc(c(c1)F)F 7a_100000246517_100000210314 [0,2,0,0,0,0|1,0,1]=4 15344 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)Br)C 2230a_100000209983_100012346676 [0,2,0,0,0,0|2,0,0]=4 15345 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)Br)F 2230a_100000209983_100011217175 [0,2,0,0,0,0|2,0,0]=4 15346 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)C)C 2230a_100000209983_100000183365 [0,2,0,0,0,0|2,0,0]=4 15347 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)Cl)Br 2230a_100000209983_200012349649 [0,2,0,0,0,0|2,0,0]=4 15348 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100000209983_100000211430 [0,2,0,0,0,0|2,0,0]=4 15349 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)Cl)F 2230a_100000209983_100000757878 [0,2,0,0,0,0|2,0,0]=4 15350 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)F)Br 2230a_100000209983_100012361357 [0,2,0,0,0,0|2,0,0]=4 15351 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)F)C 2230a_100000209983_100011219196 [0,2,0,0,0,0|2,0,0]=4 15352 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)F)Cl 2230a_100000209983_100012351892 [0,2,0,0,0,0|2,0,0]=4 15353 B17R1.9269 CCCCCNCC(=O)c1ccc(c(c1)F)F 2230a_100000209983_100000183380 [0,2,0,0,0,0|2,0,0]=4 15354 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Br)Br 22a_100000694160_100012339404 [0,2,0,0,0,0|2,0,0]=4 15355 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Br)C 22a_100000694160_100000186397 [0,2,0,0,0,0|2,0,0]=4 15356 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Br)Cl 22a_100000694160_100000691181 [0,2,0,0,0,0|2,0,0]=4 15357 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Br)F 22a_100000694160_100000760357 [0,2,0,0,0,0|2,0,0]=4 15358 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Br)I 22a_100000694160_100000739115 [0,2,0,0,0,0|2,0,0]=4 15359 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Br)O 22a_100000694160_100000189672 [0,2,0,0,0,0|2,0,0]=4 15360 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)C)Br 22a_100000694160_100000692631 [0,2,0,0,0,0|2,0,0]=4 15361 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)C)C 22a_100000694160_100000210898 [0,2,0,0,0,0|2,0,0]=4 15362 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)C)Cl 22a_100000694160_100000686306 [0,2,0,0,0,0|2,0,0]=4 15363 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)C)F 22a_100000694160_100000751819 [0,2,0,0,0,0|2,0,0]=4 15364 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)C)I 22a_100000694160_100000751300 [0,2,0,0,0,0|2,0,0]=4 15365 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)C)O 22a_100000694160_100000685612 [0,2,0,0,0,0|2,0,0]=4 15366 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Cl)Br 22a_100000694160_100000687082 [0,2,0,0,0,0|2,0,0]=4 15367 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Cl)C 22a_100000694160_100000751740 [0,2,0,0,0,0|2,0,0]=4 15368 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Cl)Cl 22a_100000694160_100000210401 [0,2,0,0,0,0|2,0,0]=4 15369 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Cl)F 22a_100000694160_100000686462 [0,2,0,0,0,0|2,0,0]=4 15370 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Cl)I 22a_100000694160_100000684831 [0,2,0,0,0,0|2,0,0]=4 15371 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)Cl)O 22a_100000694160_100000212196 [0,2,0,0,0,0|2,0,0]=4 15372 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)F)Br 22a_100000694160_100000743946 [0,2,0,0,0,0|2,0,0]=4 15373 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)F)C 22a_100000694160_100000212313 [0,2,0,0,0,0|2,0,0]=4 15374 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)F)Cl 22a_100000694160_100000743183 [0,2,0,0,0,0|2,0,0]=4 15375 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)F)F 22a_100000694160_100000209822 [0,2,0,0,0,0|2,0,0]=4 15376 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)F)I 22a_100000694160_100000062624 [0,2,0,0,0,0|2,0,0]=4 15377 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)F)O 22a_100000694160_100000185466 [0,2,0,0,0,0|2,0,0]=4 15378 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)I)Br 22a_100000694160_100012343876 [0,2,0,0,0,0|2,0,0]=4 15379 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)I)C 22a_100000694160_100000751299 [0,2,0,0,0,0|2,0,0]=4 15380 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)I)Cl 22a_100000694160_100000739381 [0,2,0,0,0,0|2,0,0]=4 15381 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)I)F 22a_100000694160_100000688015 [0,2,0,0,0,0|2,0,0]=4 15382 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)I)I 22a_100000694160_100000725830 [0,2,0,0,0,0|2,0,0]=4 15383 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)I)O 22a_100000694160_100000037485 [0,2,0,0,0,0|2,0,0]=4 15384 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)O)Br 22a_100000694160_100000689001 [0,2,0,0,0,0|2,0,0]=4 15385 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)O)C 22a_100000694160_100000233767 [0,2,0,0,0,0|2,0,0]=4 15386 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)O)Cl 22a_100000694160_100011933997 [0,2,0,0,0,0|2,0,0]=4 15387 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)O)F 22a_100000694160_100000035894 [0,2,0,0,0,0|2,0,0]=4 15388 B17R1.9269 CCCCCNNC(=O)c1ccc(c(c1)O)I 22a_100000694160_100000239334 [0,2,0,0,0,0|2,0,0]=4 15389 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Br)C 34a_100000210253_100012346676 [0,2,0,0,0,0|2,0,0]=4 15390 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Br)C 7a_100000210253_100012346676 [0,2,0,0,0,0|2,0,0]=4 15391 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Br)F 34a_100000210253_100011217175 [0,2,0,0,0,0|2,0,0]=4 15392 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Br)F 7a_100000210253_100011217175 [0,2,0,0,0,0|2,0,0]=4 15393 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)C)C 7a_100000210253_100000183365 [0,2,0,0,0,0|2,0,0]=4 15394 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)C)Cl 7a_100000210253_200011216723 [0,2,0,0,0,0|2,0,0]=4 15395 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Cl)Br 34a_100000210253_200012349649 [0,2,0,0,0,0|2,0,0]=4 15396 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000210253_100000211430 [0,2,0,0,0,0|2,0,0]=4 15397 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_100000210326 [0,2,0,0,0,0|2,0,0]=4 15398 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Cl)F 34a_100000210253_100000757878 [0,2,0,0,0,0|2,0,0]=4 15399 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Cl)F 7a_100000210253_100000757878 [0,2,0,0,0,0|2,0,0]=4 15400 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)Cl)O 7a_100000210253_200010170092 [0,2,0,0,0,0|2,0,0]=4 15401 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)Br 34a_100000210253_100012361357 [0,2,0,0,0,0|2,0,0]=4 15402 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)Br 7a_100000210253_100012361357 [0,2,0,0,0,0|2,0,0]=4 15403 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)C 34a_100000210253_100011219196 [0,2,0,0,0,0|2,0,0]=4 15404 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)C 7a_100000210253_100011219196 [0,2,0,0,0,0|2,0,0]=4 15405 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)Cl 34a_100000210253_100012351892 [0,2,0,0,0,0|2,0,0]=4 15406 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)Cl 7a_100000210253_100012351892 [0,2,0,0,0,0|2,0,0]=4 15407 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)F 34a_100000210253_100000183380 [0,2,0,0,0,0|2,0,0]=4 15408 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)F)F 7a_100000210253_100000183380 [0,2,0,0,0,0|2,0,0]=4 15409 B17R1.9269 CCCCCOCC(=O)c1ccc(c(c1)O)O 7a_100000210253_100000183813 [0,2,0,0,0,0|2,0,0]=4 15410 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Br)C 62a_100000210326_100012346676 [0,2,0,0,0,0|2,0,0]=4 15411 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Br)C 62a_100012346676_100000210326 [0,2,0,0,0,0|2,0,0]=4 15412 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Br)F 62a_100000210326_100011217175 [0,2,0,0,0,0|2,0,0]=4 15413 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Br)F 62a_100011217175_100000210326 [0,2,0,0,0,0|2,0,0]=4 15414 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)C)C 62a_100000183365_100000210326 [0,2,0,0,0,0|2,0,0]=4 15415 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)C)C 62a_100000210326_100000183365 [0,2,0,0,0,0|2,0,0]=4 15416 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)C)Cl 62a_100000210326_200011216723 [0,2,0,0,0,0|2,0,0]=4 15417 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)C)Cl 62a_200011216723_100000210326 [0,2,0,0,0,0|2,0,0]=4 15418 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)Br 62a_100000210326_200012349649 [0,2,0,0,0,0|2,0,0]=4 15419 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)Br 62a_200012349649_100000210326 [0,2,0,0,0,0|2,0,0]=4 15420 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000210326_100000211430 [0,2,0,0,0,0|2,0,0]=4 15421 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000211430_100000210326 [0,2,0,0,0,0|2,0,0]=4 15422 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)F 62a_100000210326_100000757878 [0,2,0,0,0,0|2,0,0]=4 15423 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)F 62a_100000757878_100000210326 [0,2,0,0,0,0|2,0,0]=4 15424 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)O 62a_100000210326_200010170092 [0,2,0,0,0,0|2,0,0]=4 15425 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_100000210326 [0,2,0,0,0,0|2,0,0]=4 15426 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)Br 62a_100000210326_100012361357 [0,2,0,0,0,0|2,0,0]=4 15427 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)Br 62a_100012361357_100000210326 [0,2,0,0,0,0|2,0,0]=4 15428 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)C 62a_100000210326_100011219196 [0,2,0,0,0,0|2,0,0]=4 15429 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)C 62a_100011219196_100000210326 [0,2,0,0,0,0|2,0,0]=4 15430 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)Cl 62a_100000210326_100012351892 [0,2,0,0,0,0|2,0,0]=4 15431 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)Cl 62a_100012351892_100000210326 [0,2,0,0,0,0|2,0,0]=4 15432 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)F 62a_100000183380_100000210326 [0,2,0,0,0,0|2,0,0]=4 15433 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)F)F 62a_100000210326_100000183380 [0,2,0,0,0,0|2,0,0]=4 15434 B17R1.9269 CCCCCSCC(=O)c1ccc(c(c1)O)O 62a_100000210326_100000183813 [0,2,0,0,0,0|2,0,0]=4 15435 B17R1.9269 CCCCNCCC(=O)c1ccc(c(c1)Cl)Cl 2230a_100000102301_100012356702 [0,2,0,0,0,0|2,0,0]=4 15436 B17R1.9269 CCCCNCCC(=O)c1ccc(c(c1)Cl)Cl 7a_106832991798_100012356702 [0,2,0,0,0,0|2,0,0]=4 15437 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000743108 [0,2,0,0,0,0|2,0,0]=4 15438 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000743108 [0,2,0,0,0,0|2,0,0]=4 15439 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000743108 [0,2,0,0,0,0|2,0,0]=4 15440 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000743108 [0,2,0,0,0,0|2,0,0]=4 15441 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000743108 [0,2,0,0,0,0|2,0,0]=4 15442 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000743108 [0,2,0,0,0,0|2,0,0]=4 15443 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000743108 [0,2,0,0,0,0|2,0,0]=4 15444 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000743108 [0,2,0,0,0,0|2,0,0]=4 15445 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000743108 [0,2,0,0,0,0|2,0,0]=4 15446 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000743108 [0,2,0,0,0,0|2,0,0]=4 15447 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000743108 [0,2,0,0,0,0|2,0,0]=4 15448 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000743108 [0,2,0,0,0,0|2,0,0]=4 15449 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000743108 [0,2,0,0,0,0|2,0,0]=4 15450 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000743108 [0,2,0,0,0,0|2,0,0]=4 15451 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000743108 [0,2,0,0,0,0|2,0,0]=4 15452 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000210227_100012356702 [0,2,0,0,0,0|2,0,0]=4 15453 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000743108 [0,2,0,0,0,0|2,0,0]=4 15454 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000743108 [0,2,0,0,0,0|2,0,0]=4 15455 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000743108 [0,2,0,0,0,0|2,0,0]=4 15456 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000743108 [0,2,0,0,0,0|2,0,0]=4 15457 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000743108 [0,2,0,0,0,0|2,0,0]=4 15458 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000743108 [0,2,0,0,0,0|2,0,0]=4 15459 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000743108 [0,2,0,0,0,0|2,0,0]=4 15460 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000743108 [0,2,0,0,0,0|2,0,0]=4 15461 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000743108 [0,2,0,0,0,0|2,0,0]=4 15462 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000743108 [0,2,0,0,0,0|2,0,0]=4 15463 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000743108 [0,2,0,0,0,0|2,0,0]=4 15464 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000743108 [0,2,0,0,0,0|2,0,0]=4 15465 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000743108 [0,2,0,0,0,0|2,0,0]=4 15466 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000743108 [0,2,0,0,0,0|2,0,0]=4 15467 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000743108 [0,2,0,0,0,0|2,0,0]=4 15468 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000743108 [0,2,0,0,0,0|2,0,0]=4 15469 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000743108 [0,2,0,0,0,0|2,0,0]=4 15470 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000743108 [0,2,0,0,0,0|2,0,0]=4 15471 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000743108 [0,2,0,0,0,0|2,0,0]=4 15472 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000743108 [0,2,0,0,0,0|2,0,0]=4 15473 B17R1.9269 CCCCOCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000743108 [0,2,0,0,0,0|2,0,0]=4 15474 B17R1.9269 CCCCSCCC(=O)c1ccc(c(c1)Cl)Cl 62a_100000210211_100012356702 [0,2,0,0,0,0|2,0,0]=4 15475 B17R1.9269 CCCCSCCC(=O)c1ccc(c(c1)Cl)Cl 62a_100012356702_100000210210 [0,2,0,0,0,0|2,0,0]=4 15476 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)Br 1626a_100161115042_100012339404 [0,2,0,0,0,0|2,0,0]=4 15477 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)Br 240690a_100161115042_100012339404 [0,2,0,0,0,0|2,0,0]=4 15478 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)Br 527a_100161115042_100012339404 [0,2,0,0,0,0|2,0,0]=4 15479 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)C 1626a_100161115042_100000186397 [0,2,0,0,0,0|2,0,0]=4 15480 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)C 240690a_100161115042_100000186397 [0,2,0,0,0,0|2,0,0]=4 15481 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)C 527a_100161115042_100000186397 [0,2,0,0,0,0|2,0,0]=4 15482 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)Cl 1626a_100161115042_100000691181 [0,2,0,0,0,0|2,0,0]=4 15483 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100161115042_100000691181 [0,2,0,0,0,0|2,0,0]=4 15484 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)Cl 527a_100161115042_100000691181 [0,2,0,0,0,0|2,0,0]=4 15485 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)F 1626a_100161115042_100000760357 [0,2,0,0,0,0|2,0,0]=4 15486 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)F 240690a_100161115042_100000760357 [0,2,0,0,0,0|2,0,0]=4 15487 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)F 527a_100161115042_100000760357 [0,2,0,0,0,0|2,0,0]=4 15488 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)I 1626a_100161115042_100000739115 [0,2,0,0,0,0|2,0,0]=4 15489 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)I 240690a_100161115042_100000739115 [0,2,0,0,0,0|2,0,0]=4 15490 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)I 527a_100161115042_100000739115 [0,2,0,0,0,0|2,0,0]=4 15491 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Br)O 240690a_100161115042_100000189672 [0,2,0,0,0,0|2,0,0]=4 15492 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)Br 1626a_100161115042_100000692631 [0,2,0,0,0,0|2,0,0]=4 15493 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)Br 240690a_100161115042_100000692631 [0,2,0,0,0,0|2,0,0]=4 15494 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)Br 527a_100161115042_100000692631 [0,2,0,0,0,0|2,0,0]=4 15495 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)C 1626a_100161115042_100000210898 [0,2,0,0,0,0|2,0,0]=4 15496 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)C 240690a_100161115042_100000210898 [0,2,0,0,0,0|2,0,0]=4 15497 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)C 527a_100161115042_100000210898 [0,2,0,0,0,0|2,0,0]=4 15498 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)Cl 1626a_100161115042_100000686306 [0,2,0,0,0,0|2,0,0]=4 15499 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)Cl 240690a_100161115042_100000686306 [0,2,0,0,0,0|2,0,0]=4 15500 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)Cl 527a_100161115042_100000686306 [0,2,0,0,0,0|2,0,0]=4 15501 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)F 1626a_100161115042_100000751819 [0,2,0,0,0,0|2,0,0]=4 15502 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)F 240690a_100161115042_100000751819 [0,2,0,0,0,0|2,0,0]=4 15503 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)F 527a_100161115042_100000751819 [0,2,0,0,0,0|2,0,0]=4 15504 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)I 1626a_100161115042_100000751300 [0,2,0,0,0,0|2,0,0]=4 15505 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)I 240690a_100161115042_100000751300 [0,2,0,0,0,0|2,0,0]=4 15506 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)I 527a_100161115042_100000751300 [0,2,0,0,0,0|2,0,0]=4 15507 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)C)O 240690a_100161115042_100000685612 [0,2,0,0,0,0|2,0,0]=4 15508 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)Br 1626a_100161115042_100000687082 [0,2,0,0,0,0|2,0,0]=4 15509 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100161115042_100000687082 [0,2,0,0,0,0|2,0,0]=4 15510 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)Br 527a_100161115042_100000687082 [0,2,0,0,0,0|2,0,0]=4 15511 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)C 1626a_100161115042_100000751740 [0,2,0,0,0,0|2,0,0]=4 15512 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)C 240690a_100161115042_100000751740 [0,2,0,0,0,0|2,0,0]=4 15513 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)C 527a_100161115042_100000751740 [0,2,0,0,0,0|2,0,0]=4 15514 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100161115042_100000210401 [0,2,0,0,0,0|2,0,0]=4 15515 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100161115042_100000210401 [0,2,0,0,0,0|2,0,0]=4 15516 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100161115042_100000210401 [0,2,0,0,0,0|2,0,0]=4 15517 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)F 1626a_100161115042_100000686462 [0,2,0,0,0,0|2,0,0]=4 15518 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)F 240690a_100161115042_100000686462 [0,2,0,0,0,0|2,0,0]=4 15519 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)F 527a_100161115042_100000686462 [0,2,0,0,0,0|2,0,0]=4 15520 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)I 1626a_100161115042_100000684831 [0,2,0,0,0,0|2,0,0]=4 15521 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)I 240690a_100161115042_100000684831 [0,2,0,0,0,0|2,0,0]=4 15522 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)I 527a_100161115042_100000684831 [0,2,0,0,0,0|2,0,0]=4 15523 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100161115042_100000212196 [0,2,0,0,0,0|2,0,0]=4 15524 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)Cl)O 527a_100161115042_100000212196 [0,2,0,0,0,0|2,0,0]=4 15525 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)Br 1626a_100161115042_100000743946 [0,2,0,0,0,0|2,0,0]=4 15526 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)Br 240690a_100161115042_100000743946 [0,2,0,0,0,0|2,0,0]=4 15527 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)Br 527a_100161115042_100000743946 [0,2,0,0,0,0|2,0,0]=4 15528 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)C 1626a_100161115042_100000212313 [0,2,0,0,0,0|2,0,0]=4 15529 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)C 240690a_100161115042_100000212313 [0,2,0,0,0,0|2,0,0]=4 15530 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)C 527a_100161115042_100000212313 [0,2,0,0,0,0|2,0,0]=4 15531 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)Cl 1626a_100161115042_100000743183 [0,2,0,0,0,0|2,0,0]=4 15532 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)Cl 240690a_100161115042_100000743183 [0,2,0,0,0,0|2,0,0]=4 15533 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)Cl 527a_100161115042_100000743183 [0,2,0,0,0,0|2,0,0]=4 15534 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)F 1626a_100161115042_100000209822 [0,2,0,0,0,0|2,0,0]=4 15535 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)F 240690a_100161115042_100000209822 [0,2,0,0,0,0|2,0,0]=4 15536 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)F 527a_100161115042_100000209822 [0,2,0,0,0,0|2,0,0]=4 15537 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)I 1626a_100161115042_100000062624 [0,2,0,0,0,0|2,0,0]=4 15538 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)I 240690a_100161115042_100000062624 [0,2,0,0,0,0|2,0,0]=4 15539 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)I 527a_100161115042_100000062624 [0,2,0,0,0,0|2,0,0]=4 15540 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)O 240690a_100161115042_100000185466 [0,2,0,0,0,0|2,0,0]=4 15541 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)F)O 527a_100161115042_100000185466 [0,2,0,0,0,0|2,0,0]=4 15542 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)Br 1626a_100161115042_100012343876 [0,2,0,0,0,0|2,0,0]=4 15543 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)Br 240690a_100161115042_100012343876 [0,2,0,0,0,0|2,0,0]=4 15544 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)Br 527a_100161115042_100012343876 [0,2,0,0,0,0|2,0,0]=4 15545 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)C 1626a_100161115042_100000751299 [0,2,0,0,0,0|2,0,0]=4 15546 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)C 240690a_100161115042_100000751299 [0,2,0,0,0,0|2,0,0]=4 15547 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)C 527a_100161115042_100000751299 [0,2,0,0,0,0|2,0,0]=4 15548 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)Cl 1626a_100161115042_100000739381 [0,2,0,0,0,0|2,0,0]=4 15549 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)Cl 240690a_100161115042_100000739381 [0,2,0,0,0,0|2,0,0]=4 15550 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)Cl 527a_100161115042_100000739381 [0,2,0,0,0,0|2,0,0]=4 15551 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)F 1626a_100161115042_100000688015 [0,2,0,0,0,0|2,0,0]=4 15552 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)F 240690a_100161115042_100000688015 [0,2,0,0,0,0|2,0,0]=4 15553 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)F 527a_100161115042_100000688015 [0,2,0,0,0,0|2,0,0]=4 15554 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)I 1626a_100161115042_100000725830 [0,2,0,0,0,0|2,0,0]=4 15555 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)I 240690a_100161115042_100000725830 [0,2,0,0,0,0|2,0,0]=4 15556 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)I 527a_100161115042_100000725830 [0,2,0,0,0,0|2,0,0]=4 15557 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)O 1626a_100161115042_100000037485 [0,2,0,0,0,0|2,0,0]=4 15558 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)I)O 240690a_100161115042_100000037485 [0,2,0,0,0,0|2,0,0]=4 15559 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)Br 240690a_100161115042_100000689001 [0,2,0,0,0,0|2,0,0]=4 15560 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)Br 527a_100161115042_100000689001 [0,2,0,0,0,0|2,0,0]=4 15561 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)C 240690a_100161115042_100000233767 [0,2,0,0,0,0|2,0,0]=4 15562 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100161115042_100011933997 [0,2,0,0,0,0|2,0,0]=4 15563 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)Cl 527a_100161115042_100011933997 [0,2,0,0,0,0|2,0,0]=4 15564 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)F 240690a_100161115042_100000035894 [0,2,0,0,0,0|2,0,0]=4 15565 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)F 527a_100161115042_100000035894 [0,2,0,0,0,0|2,0,0]=4 15566 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)I 1626a_100161115042_100000239334 [0,2,0,0,0,0|2,0,0]=4 15567 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)I 240690a_100161115042_100000239334 [0,2,0,0,0,0|2,0,0]=4 15568 B17R1.9269 CCCOCCNC(=O)c1ccc(c(c1)O)I 527a_100161115042_100000239334 [0,2,0,0,0,0|2,0,0]=4 15569 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)Br 11a_100020603323_100012339404 [0,2,0,0,0,0|2,0,0]=4 15570 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)Br 240690a_100020603323_100012339404 [0,2,0,0,0,0|2,0,0]=4 15571 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)Br 527a_100020603323_100012339404 [0,2,0,0,0,0|2,0,0]=4 15572 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)C 11a_100020603323_100000186397 [0,2,0,0,0,0|2,0,0]=4 15573 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)C 240690a_100020603323_100000186397 [0,2,0,0,0,0|2,0,0]=4 15574 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)C 527a_100020603323_100000186397 [0,2,0,0,0,0|2,0,0]=4 15575 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)Cl 11a_100020603323_100000691181 [0,2,0,0,0,0|2,0,0]=4 15576 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100020603323_100000691181 [0,2,0,0,0,0|2,0,0]=4 15577 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)Cl 527a_100020603323_100000691181 [0,2,0,0,0,0|2,0,0]=4 15578 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)F 11a_100020603323_100000760357 [0,2,0,0,0,0|2,0,0]=4 15579 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)F 240690a_100020603323_100000760357 [0,2,0,0,0,0|2,0,0]=4 15580 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)F 527a_100020603323_100000760357 [0,2,0,0,0,0|2,0,0]=4 15581 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)I 11a_100020603323_100000739115 [0,2,0,0,0,0|2,0,0]=4 15582 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)I 240690a_100020603323_100000739115 [0,2,0,0,0,0|2,0,0]=4 15583 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)I 527a_100020603323_100000739115 [0,2,0,0,0,0|2,0,0]=4 15584 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Br)O 240690a_100020603323_100000189672 [0,2,0,0,0,0|2,0,0]=4 15585 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)Br 11a_100020603323_100000692631 [0,2,0,0,0,0|2,0,0]=4 15586 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)Br 240690a_100020603323_100000692631 [0,2,0,0,0,0|2,0,0]=4 15587 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)Br 527a_100020603323_100000692631 [0,2,0,0,0,0|2,0,0]=4 15588 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)C 11a_100020603323_100000210898 [0,2,0,0,0,0|2,0,0]=4 15589 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)C 240690a_100020603323_100000210898 [0,2,0,0,0,0|2,0,0]=4 15590 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)C 527a_100020603323_100000210898 [0,2,0,0,0,0|2,0,0]=4 15591 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)Cl 11a_100020603323_100000686306 [0,2,0,0,0,0|2,0,0]=4 15592 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)Cl 240690a_100020603323_100000686306 [0,2,0,0,0,0|2,0,0]=4 15593 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)Cl 527a_100020603323_100000686306 [0,2,0,0,0,0|2,0,0]=4 15594 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)F 11a_100020603323_100000751819 [0,2,0,0,0,0|2,0,0]=4 15595 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)F 240690a_100020603323_100000751819 [0,2,0,0,0,0|2,0,0]=4 15596 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)F 527a_100020603323_100000751819 [0,2,0,0,0,0|2,0,0]=4 15597 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)I 11a_100020603323_100000751300 [0,2,0,0,0,0|2,0,0]=4 15598 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)I 240690a_100020603323_100000751300 [0,2,0,0,0,0|2,0,0]=4 15599 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)I 527a_100020603323_100000751300 [0,2,0,0,0,0|2,0,0]=4 15600 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)C)O 240690a_100020603323_100000685612 [0,2,0,0,0,0|2,0,0]=4 15601 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)Br 11a_100020603323_100000687082 [0,2,0,0,0,0|2,0,0]=4 15602 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100020603323_100000687082 [0,2,0,0,0,0|2,0,0]=4 15603 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)Br 527a_100020603323_100000687082 [0,2,0,0,0,0|2,0,0]=4 15604 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)C 11a_100020603323_100000751740 [0,2,0,0,0,0|2,0,0]=4 15605 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)C 240690a_100020603323_100000751740 [0,2,0,0,0,0|2,0,0]=4 15606 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)C 527a_100020603323_100000751740 [0,2,0,0,0,0|2,0,0]=4 15607 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100020603323_100000210401 [0,2,0,0,0,0|2,0,0]=4 15608 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100020603323_100000210401 [0,2,0,0,0,0|2,0,0]=4 15609 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100020603323_100000210401 [0,2,0,0,0,0|2,0,0]=4 15610 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)F 11a_100020603323_100000686462 [0,2,0,0,0,0|2,0,0]=4 15611 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)F 240690a_100020603323_100000686462 [0,2,0,0,0,0|2,0,0]=4 15612 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)F 527a_100020603323_100000686462 [0,2,0,0,0,0|2,0,0]=4 15613 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)I 11a_100020603323_100000684831 [0,2,0,0,0,0|2,0,0]=4 15614 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)I 240690a_100020603323_100000684831 [0,2,0,0,0,0|2,0,0]=4 15615 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)I 527a_100020603323_100000684831 [0,2,0,0,0,0|2,0,0]=4 15616 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100020603323_100000212196 [0,2,0,0,0,0|2,0,0]=4 15617 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)Cl)O 527a_100020603323_100000212196 [0,2,0,0,0,0|2,0,0]=4 15618 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)Br 11a_100020603323_100000743946 [0,2,0,0,0,0|2,0,0]=4 15619 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)Br 240690a_100020603323_100000743946 [0,2,0,0,0,0|2,0,0]=4 15620 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)Br 527a_100020603323_100000743946 [0,2,0,0,0,0|2,0,0]=4 15621 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)C 11a_100020603323_100000212313 [0,2,0,0,0,0|2,0,0]=4 15622 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)C 240690a_100020603323_100000212313 [0,2,0,0,0,0|2,0,0]=4 15623 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)C 527a_100020603323_100000212313 [0,2,0,0,0,0|2,0,0]=4 15624 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)Cl 11a_100020603323_100000743183 [0,2,0,0,0,0|2,0,0]=4 15625 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)Cl 240690a_100020603323_100000743183 [0,2,0,0,0,0|2,0,0]=4 15626 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)Cl 527a_100020603323_100000743183 [0,2,0,0,0,0|2,0,0]=4 15627 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)F 11a_100020603323_100000209822 [0,2,0,0,0,0|2,0,0]=4 15628 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)F 240690a_100020603323_100000209822 [0,2,0,0,0,0|2,0,0]=4 15629 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)F 527a_100020603323_100000209822 [0,2,0,0,0,0|2,0,0]=4 15630 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)I 11a_100020603323_100000062624 [0,2,0,0,0,0|2,0,0]=4 15631 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)I 240690a_100020603323_100000062624 [0,2,0,0,0,0|2,0,0]=4 15632 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)I 527a_100020603323_100000062624 [0,2,0,0,0,0|2,0,0]=4 15633 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)O 240690a_100020603323_100000185466 [0,2,0,0,0,0|2,0,0]=4 15634 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)F)O 527a_100020603323_100000185466 [0,2,0,0,0,0|2,0,0]=4 15635 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)Br 11a_100020603323_100012343876 [0,2,0,0,0,0|2,0,0]=4 15636 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)Br 240690a_100020603323_100012343876 [0,2,0,0,0,0|2,0,0]=4 15637 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)Br 527a_100020603323_100012343876 [0,2,0,0,0,0|2,0,0]=4 15638 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)C 11a_100020603323_100000751299 [0,2,0,0,0,0|2,0,0]=4 15639 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)C 240690a_100020603323_100000751299 [0,2,0,0,0,0|2,0,0]=4 15640 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)C 527a_100020603323_100000751299 [0,2,0,0,0,0|2,0,0]=4 15641 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)Cl 11a_100020603323_100000739381 [0,2,0,0,0,0|2,0,0]=4 15642 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)Cl 240690a_100020603323_100000739381 [0,2,0,0,0,0|2,0,0]=4 15643 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)Cl 527a_100020603323_100000739381 [0,2,0,0,0,0|2,0,0]=4 15644 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)F 11a_100020603323_100000688015 [0,2,0,0,0,0|2,0,0]=4 15645 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)F 240690a_100020603323_100000688015 [0,2,0,0,0,0|2,0,0]=4 15646 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)F 527a_100020603323_100000688015 [0,2,0,0,0,0|2,0,0]=4 15647 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)I 11a_100020603323_100000725830 [0,2,0,0,0,0|2,0,0]=4 15648 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)I 240690a_100020603323_100000725830 [0,2,0,0,0,0|2,0,0]=4 15649 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)I 527a_100020603323_100000725830 [0,2,0,0,0,0|2,0,0]=4 15650 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)I)O 240690a_100020603323_100000037485 [0,2,0,0,0,0|2,0,0]=4 15651 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)Br 240690a_100020603323_100000689001 [0,2,0,0,0,0|2,0,0]=4 15652 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)Br 527a_100020603323_100000689001 [0,2,0,0,0,0|2,0,0]=4 15653 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)C 240690a_100020603323_100000233767 [0,2,0,0,0,0|2,0,0]=4 15654 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100020603323_100011933997 [0,2,0,0,0,0|2,0,0]=4 15655 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)Cl 527a_100020603323_100011933997 [0,2,0,0,0,0|2,0,0]=4 15656 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)F 240690a_100020603323_100000035894 [0,2,0,0,0,0|2,0,0]=4 15657 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)F 527a_100020603323_100000035894 [0,2,0,0,0,0|2,0,0]=4 15658 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)I 240690a_100020603323_100000239334 [0,2,0,0,0,0|2,0,0]=4 15659 B17R1.9269 CCCSCCNC(=O)c1ccc(c(c1)O)I 527a_100020603323_100000239334 [0,2,0,0,0,0|2,0,0]=4 15660 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Br 11a_100000210961_100012339404 [0,2,0,0,0,0|2,0,0]=4 15661 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Br 1626a_100000210961_100012339404 [0,2,0,0,0,0|2,0,0]=4 15662 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Br 240690a_100000210961_100012339404 [0,2,0,0,0,0|2,0,0]=4 15663 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Br 527a_100000210961_100012339404 [0,2,0,0,0,0|2,0,0]=4 15664 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)C 11a_100000210961_100000186397 [0,2,0,0,0,0|2,0,0]=4 15665 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)C 1626a_100000210961_100000186397 [0,2,0,0,0,0|2,0,0]=4 15666 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)C 240690a_100000210961_100000186397 [0,2,0,0,0,0|2,0,0]=4 15667 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)C 527a_100000210961_100000186397 [0,2,0,0,0,0|2,0,0]=4 15668 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Cl 11a_100000210961_100000691181 [0,2,0,0,0,0|2,0,0]=4 15669 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Cl 1626a_100000210961_100000691181 [0,2,0,0,0,0|2,0,0]=4 15670 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Cl 240690a_100000210961_100000691181 [0,2,0,0,0,0|2,0,0]=4 15671 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)Cl 527a_100000210961_100000691181 [0,2,0,0,0,0|2,0,0]=4 15672 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)F 11a_100000210961_100000760357 [0,2,0,0,0,0|2,0,0]=4 15673 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)F 1626a_100000210961_100000760357 [0,2,0,0,0,0|2,0,0]=4 15674 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)F 240690a_100000210961_100000760357 [0,2,0,0,0,0|2,0,0]=4 15675 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)F 527a_100000210961_100000760357 [0,2,0,0,0,0|2,0,0]=4 15676 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)I 11a_100000210961_100000739115 [0,2,0,0,0,0|2,0,0]=4 15677 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)I 1626a_100000210961_100000739115 [0,2,0,0,0,0|2,0,0]=4 15678 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)I 240690a_100000210961_100000739115 [0,2,0,0,0,0|2,0,0]=4 15679 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)I 527a_100000210961_100000739115 [0,2,0,0,0,0|2,0,0]=4 15680 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Br)O 240690a_100000210961_100000189672 [0,2,0,0,0,0|2,0,0]=4 15681 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Br 11a_100000210961_100000692631 [0,2,0,0,0,0|2,0,0]=4 15682 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Br 1626a_100000210961_100000692631 [0,2,0,0,0,0|2,0,0]=4 15683 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Br 240690a_100000210961_100000692631 [0,2,0,0,0,0|2,0,0]=4 15684 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Br 527a_100000210961_100000692631 [0,2,0,0,0,0|2,0,0]=4 15685 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)C 11a_100000210961_100000210898 [0,2,0,0,0,0|2,0,0]=4 15686 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)C 1626a_100000210961_100000210898 [0,2,0,0,0,0|2,0,0]=4 15687 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)C 240690a_100000210961_100000210898 [0,2,0,0,0,0|2,0,0]=4 15688 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)C 527a_100000210961_100000210898 [0,2,0,0,0,0|2,0,0]=4 15689 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Cl 11a_100000210961_100000686306 [0,2,0,0,0,0|2,0,0]=4 15690 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Cl 1626a_100000210961_100000686306 [0,2,0,0,0,0|2,0,0]=4 15691 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Cl 240690a_100000210961_100000686306 [0,2,0,0,0,0|2,0,0]=4 15692 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)Cl 527a_100000210961_100000686306 [0,2,0,0,0,0|2,0,0]=4 15693 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)F 11a_100000210961_100000751819 [0,2,0,0,0,0|2,0,0]=4 15694 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)F 1626a_100000210961_100000751819 [0,2,0,0,0,0|2,0,0]=4 15695 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)F 240690a_100000210961_100000751819 [0,2,0,0,0,0|2,0,0]=4 15696 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)F 527a_100000210961_100000751819 [0,2,0,0,0,0|2,0,0]=4 15697 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)I 11a_100000210961_100000751300 [0,2,0,0,0,0|2,0,0]=4 15698 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)I 1626a_100000210961_100000751300 [0,2,0,0,0,0|2,0,0]=4 15699 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)I 240690a_100000210961_100000751300 [0,2,0,0,0,0|2,0,0]=4 15700 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)I 527a_100000210961_100000751300 [0,2,0,0,0,0|2,0,0]=4 15701 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)C)O 240690a_100000210961_100000685612 [0,2,0,0,0,0|2,0,0]=4 15702 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Br 11a_100000210961_100000687082 [0,2,0,0,0,0|2,0,0]=4 15703 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Br 1626a_100000210961_100000687082 [0,2,0,0,0,0|2,0,0]=4 15704 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Br 240690a_100000210961_100000687082 [0,2,0,0,0,0|2,0,0]=4 15705 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Br 527a_100000210961_100000687082 [0,2,0,0,0,0|2,0,0]=4 15706 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)C 11a_100000210961_100000751740 [0,2,0,0,0,0|2,0,0]=4 15707 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)C 1626a_100000210961_100000751740 [0,2,0,0,0,0|2,0,0]=4 15708 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)C 240690a_100000210961_100000751740 [0,2,0,0,0,0|2,0,0]=4 15709 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)C 527a_100000210961_100000751740 [0,2,0,0,0,0|2,0,0]=4 15710 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Cl 11a_100000210961_100000210401 [0,2,0,0,0,0|2,0,0]=4 15711 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100000210961_100000210401 [0,2,0,0,0,0|2,0,0]=4 15712 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100000210961_100000210401 [0,2,0,0,0,0|2,0,0]=4 15713 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)Cl 527a_100000210961_100000210401 [0,2,0,0,0,0|2,0,0]=4 15714 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)F 11a_100000210961_100000686462 [0,2,0,0,0,0|2,0,0]=4 15715 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)F 1626a_100000210961_100000686462 [0,2,0,0,0,0|2,0,0]=4 15716 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)F 240690a_100000210961_100000686462 [0,2,0,0,0,0|2,0,0]=4 15717 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)F 527a_100000210961_100000686462 [0,2,0,0,0,0|2,0,0]=4 15718 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)I 11a_100000210961_100000684831 [0,2,0,0,0,0|2,0,0]=4 15719 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)I 1626a_100000210961_100000684831 [0,2,0,0,0,0|2,0,0]=4 15720 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)I 240690a_100000210961_100000684831 [0,2,0,0,0,0|2,0,0]=4 15721 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)I 527a_100000210961_100000684831 [0,2,0,0,0,0|2,0,0]=4 15722 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)O 240690a_100000210961_100000212196 [0,2,0,0,0,0|2,0,0]=4 15723 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)Cl)O 527a_100000210961_100000212196 [0,2,0,0,0,0|2,0,0]=4 15724 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Br 11a_100000210961_100000743946 [0,2,0,0,0,0|2,0,0]=4 15725 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Br 1626a_100000210961_100000743946 [0,2,0,0,0,0|2,0,0]=4 15726 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Br 240690a_100000210961_100000743946 [0,2,0,0,0,0|2,0,0]=4 15727 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Br 527a_100000210961_100000743946 [0,2,0,0,0,0|2,0,0]=4 15728 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)C 11a_100000210961_100000212313 [0,2,0,0,0,0|2,0,0]=4 15729 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)C 1626a_100000210961_100000212313 [0,2,0,0,0,0|2,0,0]=4 15730 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)C 240690a_100000210961_100000212313 [0,2,0,0,0,0|2,0,0]=4 15731 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)C 527a_100000210961_100000212313 [0,2,0,0,0,0|2,0,0]=4 15732 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Cl 11a_100000210961_100000743183 [0,2,0,0,0,0|2,0,0]=4 15733 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Cl 1626a_100000210961_100000743183 [0,2,0,0,0,0|2,0,0]=4 15734 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Cl 240690a_100000210961_100000743183 [0,2,0,0,0,0|2,0,0]=4 15735 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)Cl 527a_100000210961_100000743183 [0,2,0,0,0,0|2,0,0]=4 15736 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)F 11a_100000210961_100000209822 [0,2,0,0,0,0|2,0,0]=4 15737 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)F 1626a_100000210961_100000209822 [0,2,0,0,0,0|2,0,0]=4 15738 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)F 240690a_100000210961_100000209822 [0,2,0,0,0,0|2,0,0]=4 15739 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)F 527a_100000210961_100000209822 [0,2,0,0,0,0|2,0,0]=4 15740 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)I 11a_100000210961_100000062624 [0,2,0,0,0,0|2,0,0]=4 15741 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)I 1626a_100000210961_100000062624 [0,2,0,0,0,0|2,0,0]=4 15742 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)I 240690a_100000210961_100000062624 [0,2,0,0,0,0|2,0,0]=4 15743 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)I 527a_100000210961_100000062624 [0,2,0,0,0,0|2,0,0]=4 15744 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)O 240690a_100000210961_100000185466 [0,2,0,0,0,0|2,0,0]=4 15745 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)F)O 527a_100000210961_100000185466 [0,2,0,0,0,0|2,0,0]=4 15746 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Br 11a_100000210961_100012343876 [0,2,0,0,0,0|2,0,0]=4 15747 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Br 1626a_100000210961_100012343876 [0,2,0,0,0,0|2,0,0]=4 15748 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Br 240690a_100000210961_100012343876 [0,2,0,0,0,0|2,0,0]=4 15749 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Br 527a_100000210961_100012343876 [0,2,0,0,0,0|2,0,0]=4 15750 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)C 11a_100000210961_100000751299 [0,2,0,0,0,0|2,0,0]=4 15751 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)C 1626a_100000210961_100000751299 [0,2,0,0,0,0|2,0,0]=4 15752 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)C 240690a_100000210961_100000751299 [0,2,0,0,0,0|2,0,0]=4 15753 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)C 527a_100000210961_100000751299 [0,2,0,0,0,0|2,0,0]=4 15754 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Cl 11a_100000210961_100000739381 [0,2,0,0,0,0|2,0,0]=4 15755 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Cl 1626a_100000210961_100000739381 [0,2,0,0,0,0|2,0,0]=4 15756 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Cl 240690a_100000210961_100000739381 [0,2,0,0,0,0|2,0,0]=4 15757 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)Cl 527a_100000210961_100000739381 [0,2,0,0,0,0|2,0,0]=4 15758 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)F 11a_100000210961_100000688015 [0,2,0,0,0,0|2,0,0]=4 15759 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)F 1626a_100000210961_100000688015 [0,2,0,0,0,0|2,0,0]=4 15760 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)F 240690a_100000210961_100000688015 [0,2,0,0,0,0|2,0,0]=4 15761 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)F 527a_100000210961_100000688015 [0,2,0,0,0,0|2,0,0]=4 15762 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)I 11a_100000210961_100000725830 [0,2,0,0,0,0|2,0,0]=4 15763 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)I 1626a_100000210961_100000725830 [0,2,0,0,0,0|2,0,0]=4 15764 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)I 240690a_100000210961_100000725830 [0,2,0,0,0,0|2,0,0]=4 15765 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)I 527a_100000210961_100000725830 [0,2,0,0,0,0|2,0,0]=4 15766 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)O 1626a_100000210961_100000037485 [0,2,0,0,0,0|2,0,0]=4 15767 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)I)O 240690a_100000210961_100000037485 [0,2,0,0,0,0|2,0,0]=4 15768 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)Br 240690a_100000210961_100000689001 [0,2,0,0,0,0|2,0,0]=4 15769 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)Br 527a_100000210961_100000689001 [0,2,0,0,0,0|2,0,0]=4 15770 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)C 240690a_100000210961_100000233767 [0,2,0,0,0,0|2,0,0]=4 15771 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)Cl 240690a_100000210961_100011933997 [0,2,0,0,0,0|2,0,0]=4 15772 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)Cl 527a_100000210961_100011933997 [0,2,0,0,0,0|2,0,0]=4 15773 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)F 240690a_100000210961_100000035894 [0,2,0,0,0,0|2,0,0]=4 15774 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)F 527a_100000210961_100000035894 [0,2,0,0,0,0|2,0,0]=4 15775 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)I 1626a_100000210961_100000239334 [0,2,0,0,0,0|2,0,0]=4 15776 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)I 240690a_100000210961_100000239334 [0,2,0,0,0,0|2,0,0]=4 15777 B17R1.9269 CCOCCCNC(=O)c1ccc(c(c1)O)I 527a_100000210961_100000239334 [0,2,0,0,0,0|2,0,0]=4 15778 B17R1.9269 CCOCCCOC(=O)c1ccc(c(c1)F)F 34a_100035314219_100000210202 [0,2,0,0,0,0|1,0,0]=3 15779 B17R1.9269 CCOCCCOC(=O)c1ccc(c(c1)F)F 7a_100035314219_100000210202 [0,2,0,0,0,0|1,0,0]=3 15780 B17R1.9269 Cc1cc(ccc1Br)C(=O)CCCCCCF 1458a_100000692631_100015922095 [0,2,0,0,0,0|2,0,0]=4 15781 B17R1.9269 Cc1cc(ccc1Br)C(=O)CCCCCCO 1458a_100000692631_100000766143 [0,2,0,0,0,0|2,0,0]=4 15782 B17R1.9269 Cc1cc(ccc1Br)C(=O)NCCCCCO 240690a_100000762737_100000692631 [0,2,0,0,0,0|2,0,0]=4 15783 B17R1.9269 Cc1cc(ccc1Cl)C(=O)CCCCCCF 1458a_100000686306_100015922095 [0,2,0,0,0,0|2,0,0]=4 15784 B17R1.9269 Cc1cc(ccc1Cl)C(=O)CCCCCCO 1458a_100000686306_100000766143 [0,2,0,0,0,0|2,0,0]=4 15785 B17R1.9269 Cc1cc(ccc1Cl)C(=O)NCCCCCO 240690a_100000762737_100000686306 [0,2,0,0,0,0|2,0,0]=4 15786 B17R1.9269 Cc1cc(ccc1F)C(=O)CCCCCCF 1458a_100000751819_100015922095 [0,2,0,0,0,0|2,0,0]=4 15787 B17R1.9269 Cc1cc(ccc1F)C(=O)CCCCCCO 1458a_100000751819_100000766143 [0,2,0,0,0,0|2,0,0]=4 15788 B17R1.9269 Cc1cc(ccc1F)C(=O)NCCCCCO 240690a_100000762737_100000751819 [0,2,0,0,0,0|2,0,0]=4 15789 B17R1.9269 Cc1cc(ccc1I)C(=O)CCCCCCF 1458a_100000751300_100015922095 [0,2,0,0,0,0|2,0,0]=4 15790 B17R1.9269 Cc1cc(ccc1I)C(=O)CCCCCCO 1458a_100000751300_100000766143 [0,2,0,0,0,0|2,0,0]=4 15791 B17R1.9269 Cc1cc(ccc1I)C(=O)NCCCCCO 240690a_100000762737_100000751300 [0,2,0,0,0,0|2,0,0]=4 15792 B17R1.9269 Cc1cc(ccc1O)C(=O)CCCCCCF 1458a_100000685612_100015922095 [0,2,0,0,0,0|2,0,0]=4 15793 B17R1.9269 Cc1cc(ccc1O)C(=O)CCCCCCO 1458a_100000685612_100000766143 [0,2,0,0,0,0|2,0,0]=4 15794 B17R1.9269 Cc1cc(ccc1O)C(=O)NCCCCCO 240690a_100000762737_100000685612 [0,2,0,0,0,0|2,0,0]=4 15795 B17R1.9269 Cc1ccc(cc1Br)C(=O)CCCCCCF 1458a_100000186397_100015922095 [0,2,0,0,0,0|2,0,0]=4 15796 B17R1.9269 Cc1ccc(cc1Br)C(=O)CCCCCCO 1458a_100000186397_100000766143 [0,2,0,0,0,0|2,0,0]=4 15797 B17R1.9269 Cc1ccc(cc1Br)C(=O)NCCCCCO 240690a_100000762737_100000186397 [0,2,0,0,0,0|2,0,0]=4 15798 B17R1.9269 Cc1ccc(cc1C)C(=O)CCCCCCF 1458a_100000210898_100015922095 [0,2,0,0,0,0|2,0,0]=4 15799 B17R1.9269 Cc1ccc(cc1C)C(=O)CCCCCCO 1458a_100000210898_100000766143 [0,2,0,0,0,0|2,0,0]=4 15800 B17R1.9269 Cc1ccc(cc1C)C(=O)NCCCCCO 240690a_100000762737_100000210898 [0,2,0,0,0,0|2,0,0]=4 15801 B17R1.9269 Cc1ccc(cc1Cl)C(=O)CCCCCCF 1458a_100000751740_100015922095 [0,2,0,0,0,0|2,0,0]=4 15802 B17R1.9269 Cc1ccc(cc1Cl)C(=O)CCCCCCO 1458a_100000751740_100000766143 [0,2,0,0,0,0|2,0,0]=4 15803 B17R1.9269 Cc1ccc(cc1Cl)C(=O)NCCCCCO 240690a_100000762737_100000751740 [0,2,0,0,0,0|2,0,0]=4 15804 B17R1.9269 Cc1ccc(cc1F)C(=O)CCCCCCF 1458a_100000212313_100015922095 [0,2,0,0,0,0|2,0,0]=4 15805 B17R1.9269 Cc1ccc(cc1F)C(=O)CCCCCCO 1458a_100000212313_100000766143 [0,2,0,0,0,0|2,0,0]=4 15806 B17R1.9269 Cc1ccc(cc1F)C(=O)NCCCCCO 240690a_100000762737_100000212313 [0,2,0,0,0,0|2,0,0]=4 15807 B17R1.9269 Cc1ccc(cc1I)C(=O)CCCCCCF 1458a_100000751299_100015922095 [0,2,0,0,0,0|2,0,0]=4 15808 B17R1.9269 Cc1ccc(cc1I)C(=O)CCCCCCO 1458a_100000751299_100000766143 [0,2,0,0,0,0|2,0,0]=4 15809 B17R1.9269 Cc1ccc(cc1I)C(=O)NCCCCCO 240690a_100000762737_100000751299 [0,2,0,0,0,0|2,0,0]=4 15810 B17R1.9269 Cc1ccc(cc1O)C(=O)CCCCCCF 1458a_100000233767_100015922095 [0,2,0,0,0,0|2,0,0]=4 15811 B17R1.9269 Cc1ccc(cc1O)C(=O)CCCCCCO 1458a_100000233767_100000766143 [0,2,0,0,0,0|2,0,0]=4 15812 B17R1.9269 Cc1ccc(cc1O)C(=O)NCCCCCO 240690a_100000762737_100000233767 [0,2,0,0,0,0|2,0,0]=4 15813 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015922095 [0,2,0,0,0,0|2,0,0]=4 15814 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015922095 [0,2,0,0,0,0|2,0,0]=4 15815 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Br)F 1458a_100000760357_100015922095 [0,2,0,0,0,0|2,0,0]=4 15816 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Br)I 1458a_100000739115_100015922095 [0,2,0,0,0,0|2,0,0]=4 15817 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Br)O 1458a_100000189672_100015922095 [0,2,0,0,0,0|2,0,0]=4 15818 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015922095 [0,2,0,0,0,0|2,0,0]=4 15819 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015922095 [0,2,0,0,0,0|2,0,0]=4 15820 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015922095 [0,2,0,0,0,0|2,0,0]=4 15821 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015922095 [0,2,0,0,0,0|2,0,0]=4 15822 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015922095 [0,2,0,0,0,0|2,0,0]=4 15823 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)F)Br 1458a_100000743946_100015922095 [0,2,0,0,0,0|2,0,0]=4 15824 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015922095 [0,2,0,0,0,0|2,0,0]=4 15825 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)F)F 1458a_100000209822_100015922095 [0,2,0,0,0,0|2,0,0]=4 15826 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)F)I 1458a_100000062624_100015922095 [0,2,0,0,0,0|2,0,0]=4 15827 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)F)O 1458a_100000185466_100015922095 [0,2,0,0,0,0|2,0,0]=4 15828 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)I)Br 1458a_100012343876_100015922095 [0,2,0,0,0,0|2,0,0]=4 15829 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015922095 [0,2,0,0,0,0|2,0,0]=4 15830 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)I)F 1458a_100000688015_100015922095 [0,2,0,0,0,0|2,0,0]=4 15831 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)I)I 1458a_100000725830_100015922095 [0,2,0,0,0,0|2,0,0]=4 15832 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)I)O 1458a_100000037485_100015922095 [0,2,0,0,0,0|2,0,0]=4 15833 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)O)Br 1458a_100000689001_100015922095 [0,2,0,0,0,0|2,0,0]=4 15834 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015922095 [0,2,0,0,0,0|2,0,0]=4 15835 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)O)F 1458a_100000035894_100015922095 [0,2,0,0,0,0|2,0,0]=4 15836 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)O)I 1458a_100000239334_100015922095 [0,2,0,0,0,0|2,0,0]=4 15837 B17R1.9269 O=C(CCCCCCF)c1ccc(c(c1)O)O 1458a_100000212155_100015922095 [0,2,0,0,0,0|2,0,0]=4 15838 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Br)Br 1458a_100012339404_100000766143 [0,2,0,0,0,0|2,0,0]=4 15839 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000766143 [0,2,0,0,0,0|2,0,0]=4 15840 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Br)F 1458a_100000760357_100000766143 [0,2,0,0,0,0|2,0,0]=4 15841 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Br)I 1458a_100000739115_100000766143 [0,2,0,0,0,0|2,0,0]=4 15842 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000766143 [0,2,0,0,0,0|2,0,0]=4 15843 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000766143 [0,2,0,0,0,0|2,0,0]=4 15844 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000766143 [0,2,0,0,0,0|2,0,0]=4 15845 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Cl)F 1458a_100000686462_100000766143 [0,2,0,0,0,0|2,0,0]=4 15846 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Cl)I 1458a_100000684831_100000766143 [0,2,0,0,0,0|2,0,0]=4 15847 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000766143 [0,2,0,0,0,0|2,0,0]=4 15848 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)F)Br 1458a_100000743946_100000766143 [0,2,0,0,0,0|2,0,0]=4 15849 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)F)Cl 1458a_100000743183_100000766143 [0,2,0,0,0,0|2,0,0]=4 15850 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)F)F 1458a_100000209822_100000766143 [0,2,0,0,0,0|2,0,0]=4 15851 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)F)I 1458a_100000062624_100000766143 [0,2,0,0,0,0|2,0,0]=4 15852 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)F)O 1458a_100000185466_100000766143 [0,2,0,0,0,0|2,0,0]=4 15853 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)I)Br 1458a_100012343876_100000766143 [0,2,0,0,0,0|2,0,0]=4 15854 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)I)Cl 1458a_100000739381_100000766143 [0,2,0,0,0,0|2,0,0]=4 15855 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)I)F 1458a_100000688015_100000766143 [0,2,0,0,0,0|2,0,0]=4 15856 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)I)I 1458a_100000725830_100000766143 [0,2,0,0,0,0|2,0,0]=4 15857 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)I)O 1458a_100000037485_100000766143 [0,2,0,0,0,0|2,0,0]=4 15858 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000766143 [0,2,0,0,0,0|2,0,0]=4 15859 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000766143 [0,2,0,0,0,0|2,0,0]=4 15860 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)O)F 1458a_100000035894_100000766143 [0,2,0,0,0,0|2,0,0]=4 15861 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)O)I 1458a_100000239334_100000766143 [0,2,0,0,0,0|2,0,0]=4 15862 B17R1.9269 O=C(CCCCCCO)c1ccc(c(c1)O)O 1458a_100000212155_100000766143 [0,2,0,0,0,0|2,0,0]=4 15863 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Br)Br 240690a_100000762737_100012339404 [0,2,0,0,0,0|2,0,0]=4 15864 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Br)Cl 240690a_100000762737_100000691181 [0,2,0,0,0,0|2,0,0]=4 15865 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Br)F 240690a_100000762737_100000760357 [0,2,0,0,0,0|2,0,0]=4 15866 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Br)I 240690a_100000762737_100000739115 [0,2,0,0,0,0|2,0,0]=4 15867 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Br)O 240690a_100000762737_100000189672 [0,2,0,0,0,0|2,0,0]=4 15868 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Cl)Br 240690a_100000762737_100000687082 [0,2,0,0,0,0|2,0,0]=4 15869 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Cl)Cl 240690a_100000762737_100000210401 [0,2,0,0,0,0|2,0,0]=4 15870 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Cl)F 240690a_100000762737_100000686462 [0,2,0,0,0,0|2,0,0]=4 15871 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Cl)I 240690a_100000762737_100000684831 [0,2,0,0,0,0|2,0,0]=4 15872 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)Cl)O 240690a_100000762737_100000212196 [0,2,0,0,0,0|2,0,0]=4 15873 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)F)Br 240690a_100000762737_100000743946 [0,2,0,0,0,0|2,0,0]=4 15874 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)F)Cl 240690a_100000762737_100000743183 [0,2,0,0,0,0|2,0,0]=4 15875 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)F)F 240690a_100000762737_100000209822 [0,2,0,0,0,0|2,0,0]=4 15876 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)F)I 240690a_100000762737_100000062624 [0,2,0,0,0,0|2,0,0]=4 15877 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)F)O 240690a_100000762737_100000185466 [0,2,0,0,0,0|2,0,0]=4 15878 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)I)Br 240690a_100000762737_100012343876 [0,2,0,0,0,0|2,0,0]=4 15879 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)I)Cl 240690a_100000762737_100000739381 [0,2,0,0,0,0|2,0,0]=4 15880 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)I)F 240690a_100000762737_100000688015 [0,2,0,0,0,0|2,0,0]=4 15881 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)I)I 240690a_100000762737_100000725830 [0,2,0,0,0,0|2,0,0]=4 15882 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)I)O 240690a_100000762737_100000037485 [0,2,0,0,0,0|2,0,0]=4 15883 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)O)Br 240690a_100000762737_100000689001 [0,2,0,0,0,0|2,0,0]=4 15884 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)O)Cl 240690a_100000762737_100011933997 [0,2,0,0,0,0|2,0,0]=4 15885 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)O)F 240690a_100000762737_100000035894 [0,2,0,0,0,0|2,0,0]=4 15886 B17R1.9269 O=C(NCCCCCO)c1ccc(c(c1)O)I 240690a_100000762737_100000239334 [0,2,0,0,0,0|2,0,0]=4 15887 B17R1.9269 O=C(OCCCOCF)c1ccc(c(c1)F)F 34a_100035314219_100015361967 [0,2,0,0,0,0|2,0,0]=4 15888 B17R1.9269 O=C(OCCCOCF)c1ccc(c(c1)F)F 7a_100035314219_100015361967 [0,2,0,0,0,0|2,0,0]=4 15889 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000210614 [0,2,0,0,0,0|1,0,0]=3 15890 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210614 [0,2,0,0,0,0|1,0,0]=3 15891 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000210614 [0,2,0,0,0,0|1,0,0]=3 15892 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000210614 [0,2,0,0,0,0|1,0,0]=3 15893 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000210614 [0,2,0,0,0,0|1,0,0]=3 15894 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000210614 [0,2,0,0,0,0|1,0,0]=3 15895 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210614 [0,2,0,0,0,0|1,0,0]=3 15896 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210614 [0,2,0,0,0,0|1,0,0]=3 15897 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210614 [0,2,0,0,0,0|1,0,0]=3 15898 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210614 [0,2,0,0,0,0|1,0,0]=3 15899 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210614 [0,2,0,0,0,0|1,0,0]=3 15900 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210614 [0,2,0,0,0,0|1,0,0]=3 15901 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000210614 [0,2,0,0,0,0|1,0,0]=3 15902 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210614 [0,2,0,0,0,0|1,0,0]=3 15903 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000210614 [0,2,0,0,0,0|1,0,0]=3 15904 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000210614 [0,2,0,0,0,0|1,0,0]=3 15905 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000210614 [0,2,0,0,0,0|1,0,0]=3 15906 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000210614 [0,2,0,0,0,0|1,0,0]=3 15907 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000210614 [0,2,0,0,0,0|1,0,0]=3 15908 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210614 [0,2,0,0,0,0|1,0,0]=3 15909 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000210614 [0,2,0,0,0,0|1,0,0]=3 15910 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000210614 [0,2,0,0,0,0|1,0,0]=3 15911 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000210614 [0,2,0,0,0,0|1,0,0]=3 15912 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000210614 [0,2,0,0,0,0|1,0,0]=3 15913 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000210614 [0,2,0,0,0,0|1,0,0]=3 15914 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210614 [0,2,0,0,0,0|1,0,0]=3 15915 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000210614 [0,2,0,0,0,0|1,0,0]=3 15916 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000210614 [0,2,0,0,0,0|1,0,0]=3 15917 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000210614 [0,2,0,0,0,0|1,0,0]=3 15918 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210614 [0,2,0,0,0,0|1,0,0]=3 15919 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000210614 [0,2,0,0,0,0|1,0,0]=3 15920 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000210614 [0,2,0,0,0,0|1,0,0]=3 15921 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000210614 [0,2,0,0,0,0|1,0,0]=3 15922 B17R1.66846 CCCCCCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000210614 [0,2,0,0,0,0|1,0,0]=3 15923 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Br 11a_100000210581_100000762965 [0,2,0,0,0,0|1,0,0]=3 15924 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Br 1626a_100000210581_100000762965 [0,2,0,0,0,0|1,0,0]=3 15925 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Br 240690a_100000210581_100000762965 [0,2,0,0,0,0|1,0,0]=3 15926 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Br 527a_100000210581_100000762965 [0,2,0,0,0,0|1,0,0]=3 15927 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)C 11a_100000210581_100000685072 [0,2,0,0,0,0|1,0,0]=3 15928 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)C 1626a_100000210581_100000685072 [0,2,0,0,0,0|1,0,0]=3 15929 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)C 240690a_100000210581_100000685072 [0,2,0,0,0,0|1,0,0]=3 15930 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)C 527a_100000210581_100000685072 [0,2,0,0,0,0|1,0,0]=3 15931 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Cl 11a_100000210581_100000766353 [0,2,0,0,0,0|1,0,0]=3 15932 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Cl 1626a_100000210581_100000766353 [0,2,0,0,0,0|1,0,0]=3 15933 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Cl 240690a_100000210581_100000766353 [0,2,0,0,0,0|1,0,0]=3 15934 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)Cl 527a_100000210581_100000766353 [0,2,0,0,0,0|1,0,0]=3 15935 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)F 11a_100000210581_100000212304 [0,2,0,0,0,0|1,0,0]=3 15936 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)F 1626a_100000210581_100000212304 [0,2,0,0,0,0|1,0,0]=3 15937 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)F 240690a_100000210581_100000212304 [0,2,0,0,0,0|1,0,0]=3 15938 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)F 527a_100000210581_100000212304 [0,2,0,0,0,0|1,0,0]=3 15939 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)I 11a_100000210581_100012360512 [0,2,0,0,0,0|1,0,0]=3 15940 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)I 1626a_100000210581_100012360512 [0,2,0,0,0,0|1,0,0]=3 15941 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)I 240690a_100000210581_100012360512 [0,2,0,0,0,0|1,0,0]=3 15942 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)I 527a_100000210581_100012360512 [0,2,0,0,0,0|1,0,0]=3 15943 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)O 240690a_100000210581_100012344906 [0,2,0,0,0,0|1,0,0]=3 15944 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Br)O 527a_100000210581_100012344906 [0,2,0,0,0,0|1,0,0]=3 15945 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Br 11a_100000210581_100000741311 [0,2,0,0,0,0|1,0,0]=3 15946 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Br 1626a_100000210581_100000741311 [0,2,0,0,0,0|1,0,0]=3 15947 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Br 240690a_100000210581_100000741311 [0,2,0,0,0,0|1,0,0]=3 15948 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Br 527a_100000210581_100000741311 [0,2,0,0,0,0|1,0,0]=3 15949 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)C 11a_100000210581_100000211164 [0,2,0,0,0,0|1,0,0]=3 15950 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)C 1626a_100000210581_100000211164 [0,2,0,0,0,0|1,0,0]=3 15951 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)C 240690a_100000210581_100000211164 [0,2,0,0,0,0|1,0,0]=3 15952 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)C 527a_100000210581_100000211164 [0,2,0,0,0,0|1,0,0]=3 15953 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Cl 11a_100000210581_100000688705 [0,2,0,0,0,0|1,0,0]=3 15954 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Cl 1626a_100000210581_100000688705 [0,2,0,0,0,0|1,0,0]=3 15955 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Cl 240690a_100000210581_100000688705 [0,2,0,0,0,0|1,0,0]=3 15956 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)Cl 527a_100000210581_100000688705 [0,2,0,0,0,0|1,0,0]=3 15957 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)F 11a_100000210581_100000686989 [0,2,0,0,0,0|1,0,0]=3 15958 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)F 1626a_100000210581_100000686989 [0,2,0,0,0,0|1,0,0]=3 15959 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)F 240690a_100000210581_100000686989 [0,2,0,0,0,0|1,0,0]=3 15960 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)F 527a_100000210581_100000686989 [0,2,0,0,0,0|1,0,0]=3 15961 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)I 11a_100000210581_100010189873 [0,2,0,0,0,0|1,0,0]=3 15962 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)I 1626a_100000210581_100010189873 [0,2,0,0,0,0|1,0,0]=3 15963 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)I 240690a_100000210581_100010189873 [0,2,0,0,0,0|1,0,0]=3 15964 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)I 527a_100000210581_100010189873 [0,2,0,0,0,0|1,0,0]=3 15965 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)O 240690a_100000210581_100000692822 [0,2,0,0,0,0|1,0,0]=3 15966 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1C)O 527a_100000210581_100000692822 [0,2,0,0,0,0|1,0,0]=3 15967 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Br 11a_100000210581_100000741628 [0,2,0,0,0,0|1,0,0]=3 15968 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Br 1626a_100000210581_100000741628 [0,2,0,0,0,0|1,0,0]=3 15969 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Br 240690a_100000210581_100000741628 [0,2,0,0,0,0|1,0,0]=3 15970 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Br 527a_100000210581_100000741628 [0,2,0,0,0,0|1,0,0]=3 15971 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)C 11a_100000210581_100000766932 [0,2,0,0,0,0|1,0,0]=3 15972 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)C 1626a_100000210581_100000766932 [0,2,0,0,0,0|1,0,0]=3 15973 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)C 240690a_100000210581_100000766932 [0,2,0,0,0,0|1,0,0]=3 15974 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)C 527a_100000210581_100000766932 [0,2,0,0,0,0|1,0,0]=3 15975 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Cl 11a_100000210581_100000185840 [0,2,0,0,0,0|1,0,0]=3 15976 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Cl 1626a_100000210581_100000185840 [0,2,0,0,0,0|1,0,0]=3 15977 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Cl 240690a_100000210581_100000185840 [0,2,0,0,0,0|1,0,0]=3 15978 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)Cl 527a_100000210581_100000185840 [0,2,0,0,0,0|1,0,0]=3 15979 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)F 11a_100000210581_100000211397 [0,2,0,0,0,0|1,0,0]=3 15980 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)F 1626a_100000210581_100000211397 [0,2,0,0,0,0|1,0,0]=3 15981 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)F 240690a_100000210581_100000211397 [0,2,0,0,0,0|1,0,0]=3 15982 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)F 527a_100000210581_100000211397 [0,2,0,0,0,0|1,0,0]=3 15983 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)I 11a_100000210581_100000751301 [0,2,0,0,0,0|1,0,0]=3 15984 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)I 1626a_100000210581_100000751301 [0,2,0,0,0,0|1,0,0]=3 15985 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)I 240690a_100000210581_100000751301 [0,2,0,0,0,0|1,0,0]=3 15986 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)I 527a_100000210581_100000751301 [0,2,0,0,0,0|1,0,0]=3 15987 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)O 240690a_100000210581_100000702456 [0,2,0,0,0,0|1,0,0]=3 15988 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1Cl)O 527a_100000210581_100000702456 [0,2,0,0,0,0|1,0,0]=3 15989 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Br 11a_100000210581_100000214689 [0,2,0,0,0,0|1,0,0]=3 15990 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Br 1626a_100000210581_100000214689 [0,2,0,0,0,0|1,0,0]=3 15991 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Br 240690a_100000210581_100000214689 [0,2,0,0,0,0|1,0,0]=3 15992 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Br 527a_100000210581_100000214689 [0,2,0,0,0,0|1,0,0]=3 15993 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)C 11a_100000210581_100000766033 [0,2,0,0,0,0|1,0,0]=3 15994 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)C 1626a_100000210581_100000766033 [0,2,0,0,0,0|1,0,0]=3 15995 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)C 240690a_100000210581_100000766033 [0,2,0,0,0,0|1,0,0]=3 15996 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)C 527a_100000210581_100000766033 [0,2,0,0,0,0|1,0,0]=3 15997 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Cl 11a_100000210581_100000212326 [0,2,0,0,0,0|1,0,0]=3 15998 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Cl 1626a_100000210581_100000212326 [0,2,0,0,0,0|1,0,0]=3 15999 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Cl 240690a_100000210581_100000212326 [0,2,0,0,0,0|1,0,0]=3 16000 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)Cl 527a_100000210581_100000212326 [0,2,0,0,0,0|1,0,0]=3 16001 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)F 11a_100000210581_100000211022 [0,2,0,0,0,0|1,0,0]=3 16002 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)F 1626a_100000210581_100000211022 [0,2,0,0,0,0|1,0,0]=3 16003 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)F 240690a_100000210581_100000211022 [0,2,0,0,0,0|1,0,0]=3 16004 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)F 527a_100000210581_100000211022 [0,2,0,0,0,0|1,0,0]=3 16005 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)I 11a_100000210581_100000037189 [0,2,0,0,0,0|1,0,0]=3 16006 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)I 1626a_100000210581_100000037189 [0,2,0,0,0,0|1,0,0]=3 16007 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)I 240690a_100000210581_100000037189 [0,2,0,0,0,0|1,0,0]=3 16008 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)I 527a_100000210581_100000037189 [0,2,0,0,0,0|1,0,0]=3 16009 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)O 240690a_100000210581_100000689029 [0,2,0,0,0,0|1,0,0]=3 16010 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1F)O 527a_100000210581_100000689029 [0,2,0,0,0,0|1,0,0]=3 16011 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Br 11a_100000210581_100000751167 [0,2,0,0,0,0|1,0,0]=3 16012 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Br 1626a_100000210581_100000751167 [0,2,0,0,0,0|1,0,0]=3 16013 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Br 240690a_100000210581_100000751167 [0,2,0,0,0,0|1,0,0]=3 16014 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Br 527a_100000210581_100000751167 [0,2,0,0,0,0|1,0,0]=3 16015 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)C 11a_100000210581_100009999607 [0,2,0,0,0,0|1,0,0]=3 16016 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)C 1626a_100000210581_100009999607 [0,2,0,0,0,0|1,0,0]=3 16017 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)C 240690a_100000210581_100009999607 [0,2,0,0,0,0|1,0,0]=3 16018 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)C 527a_100000210581_100009999607 [0,2,0,0,0,0|1,0,0]=3 16019 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Cl 11a_100000210581_100000739380 [0,2,0,0,0,0|1,0,0]=3 16020 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Cl 1626a_100000210581_100000739380 [0,2,0,0,0,0|1,0,0]=3 16021 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Cl 240690a_100000210581_100000739380 [0,2,0,0,0,0|1,0,0]=3 16022 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)Cl 527a_100000210581_100000739380 [0,2,0,0,0,0|1,0,0]=3 16023 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)F 11a_100000210581_100000739341 [0,2,0,0,0,0|1,0,0]=3 16024 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)F 1626a_100000210581_100000739341 [0,2,0,0,0,0|1,0,0]=3 16025 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)F 240690a_100000210581_100000739341 [0,2,0,0,0,0|1,0,0]=3 16026 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1I)F 527a_100000210581_100000739341 [0,2,0,0,0,0|1,0,0]=3 16027 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)Br 240690a_100000210581_100000744433 [0,2,0,0,0,0|1,0,0]=3 16028 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)Br 527a_100000210581_100000744433 [0,2,0,0,0,0|1,0,0]=3 16029 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)C 1626a_100000210581_100000212137 [0,2,0,0,0,0|1,0,0]=3 16030 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)C 240690a_100000210581_100000212137 [0,2,0,0,0,0|1,0,0]=3 16031 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)C 527a_100000210581_100000212137 [0,2,0,0,0,0|1,0,0]=3 16032 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)Cl 11a_100000210581_100000188622 [0,2,0,0,0,0|1,0,0]=3 16033 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)Cl 240690a_100000210581_100000188622 [0,2,0,0,0,0|1,0,0]=3 16034 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)Cl 527a_100000210581_100000188622 [0,2,0,0,0,0|1,0,0]=3 16035 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)F 240690a_100000210581_100000746061 [0,2,0,0,0,0|1,0,0]=3 16036 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)F 527a_100000210581_100000746061 [0,2,0,0,0,0|1,0,0]=3 16037 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)I 240690a_100000210581_100000091984 [0,2,0,0,0,0|1,0,0]=3 16038 B17R1.66846 CCCCCCNC(=O)c1ccc(cc1O)I 527a_100000210581_100000091984 [0,2,0,0,0,0|1,0,0]=3 16039 B17R1.66846 CCCCCCOC(C)c1ccc(cc1C)C 34a_100000246504_100000210314 [0,2,0,0,0,0|1,0,1]=4 16040 B17R1.66846 CCCCCCOC(C)c1ccc(cc1C)C 7a_100000246504_100000210314 [0,2,0,0,0,0|1,0,1]=4 16041 B17R1.66846 CCCCCCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000210314 [0,2,0,0,0,0|1,0,1]=4 16042 B17R1.66846 CCCCCCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000210314 [0,2,0,0,0,0|1,0,1]=4 16043 B17R1.66846 CCCCCCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000210314 [0,2,0,0,0,0|1,0,1]=4 16044 B17R1.66846 CCCCCCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000210314 [0,2,0,0,0,0|1,0,1]=4 16045 B17R1.66846 CCCCCCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000210314 [0,2,0,0,0,0|1,0,1]=4 16046 B17R1.66846 CCCCCCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000210314 [0,2,0,0,0,0|1,0,1]=4 16047 B17R1.66846 CCCCCCOC(C)c1ccc(cc1F)F 34a_200000246518_100000210314 [0,2,0,0,0,0|1,0,1]=4 16048 B17R1.66846 CCCCCCOC(C)c1ccc(cc1F)F 7a_200000246518_100000210314 [0,2,0,0,0,0|1,0,1]=4 16049 B17R1.66846 CCCCCNCC(=O)c1ccc(cc1C)C 2230a_100000209983_100000229959 [0,2,0,0,0,0|2,0,0]=4 16050 B17R1.66846 CCCCCNCC(=O)c1ccc(cc1Cl)Cl 2230a_100000209983_100011218845 [0,2,0,0,0,0|2,0,0]=4 16051 B17R1.66846 CCCCCNCC(=O)c1ccc(cc1Cl)F 2230a_100000209983_100012056422 [0,2,0,0,0,0|2,0,0]=4 16052 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Br)Br 22a_100000694160_100000762965 [0,2,0,0,0,0|2,0,0]=4 16053 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Br)C 22a_100000694160_100000685072 [0,2,0,0,0,0|2,0,0]=4 16054 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Br)Cl 22a_100000694160_100000766353 [0,2,0,0,0,0|2,0,0]=4 16055 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Br)F 22a_100000694160_100000212304 [0,2,0,0,0,0|2,0,0]=4 16056 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Br)I 22a_100000694160_100012360512 [0,2,0,0,0,0|2,0,0]=4 16057 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Br)O 22a_100000694160_100012344906 [0,2,0,0,0,0|2,0,0]=4 16058 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1C)Br 22a_100000694160_100000741311 [0,2,0,0,0,0|2,0,0]=4 16059 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1C)C 22a_100000694160_100000211164 [0,2,0,0,0,0|2,0,0]=4 16060 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1C)Cl 22a_100000694160_100000688705 [0,2,0,0,0,0|2,0,0]=4 16061 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1C)F 22a_100000694160_100000686989 [0,2,0,0,0,0|2,0,0]=4 16062 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1C)I 22a_100000694160_100010189873 [0,2,0,0,0,0|2,0,0]=4 16063 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Cl)Br 22a_100000694160_100000741628 [0,2,0,0,0,0|2,0,0]=4 16064 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Cl)C 22a_100000694160_100000766932 [0,2,0,0,0,0|2,0,0]=4 16065 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Cl)Cl 22a_100000694160_100000185840 [0,2,0,0,0,0|2,0,0]=4 16066 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Cl)F 22a_100000694160_100000211397 [0,2,0,0,0,0|2,0,0]=4 16067 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Cl)I 22a_100000694160_100000751301 [0,2,0,0,0,0|2,0,0]=4 16068 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1Cl)O 22a_100000694160_100000702456 [0,2,0,0,0,0|2,0,0]=4 16069 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1F)Br 22a_100000694160_100000214689 [0,2,0,0,0,0|2,0,0]=4 16070 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1F)C 22a_100000694160_100000766033 [0,2,0,0,0,0|2,0,0]=4 16071 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1F)Cl 22a_100000694160_100000212326 [0,2,0,0,0,0|2,0,0]=4 16072 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1F)F 22a_100000694160_100000211022 [0,2,0,0,0,0|2,0,0]=4 16073 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1F)I 22a_100000694160_100000037189 [0,2,0,0,0,0|2,0,0]=4 16074 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1F)O 22a_100000694160_100000689029 [0,2,0,0,0,0|2,0,0]=4 16075 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1I)Br 22a_100000694160_100000751167 [0,2,0,0,0,0|2,0,0]=4 16076 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1I)C 22a_100000694160_100009999607 [0,2,0,0,0,0|2,0,0]=4 16077 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1I)Cl 22a_100000694160_100000739380 [0,2,0,0,0,0|2,0,0]=4 16078 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1I)F 22a_100000694160_100000739341 [0,2,0,0,0,0|2,0,0]=4 16079 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1O)Br 22a_100000694160_100000744433 [0,2,0,0,0,0|2,0,0]=4 16080 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1O)C 22a_100000694160_100000212137 [0,2,0,0,0,0|2,0,0]=4 16081 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1O)Cl 22a_100000694160_100000188622 [0,2,0,0,0,0|2,0,0]=4 16082 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1O)F 22a_100000694160_100000746061 [0,2,0,0,0,0|2,0,0]=4 16083 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1O)I 22a_100000694160_100000091984 [0,2,0,0,0,0|2,0,0]=4 16084 B17R1.66846 CCCCCNNC(=O)c1ccc(cc1O)O 22a_100000694160_100000212172 [0,2,0,0,0,0|2,0,0]=4 16085 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1Br)F 34a_100000210253_100012361341 [0,2,0,0,0,0|2,0,0]=4 16086 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1Br)F 7a_100000210253_100012361341 [0,2,0,0,0,0|2,0,0]=4 16087 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1C)C 34a_100000210253_100000229959 [0,2,0,0,0,0|2,0,0]=4 16088 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1C)C 7a_100000210253_100000229959 [0,2,0,0,0,0|2,0,0]=4 16089 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1Cl)F 34a_100000210253_100012056422 [0,2,0,0,0,0|2,0,0]=4 16090 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1F)Br 34a_100000210253_200012361339 [0,2,0,0,0,0|2,0,0]=4 16091 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1F)Br 7a_100000210253_200012361339 [0,2,0,0,0,0|2,0,0]=4 16092 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1F)Cl 34a_100000210253_100012351891 [0,2,0,0,0,0|2,0,0]=4 16093 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1F)Cl 7a_100000210253_100012351891 [0,2,0,0,0,0|2,0,0]=4 16094 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1F)F 34a_100000210253_100000229962 [0,2,0,0,0,0|2,0,0]=4 16095 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1F)F 7a_100000210253_100000229962 [0,2,0,0,0,0|2,0,0]=4 16096 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1O)F 34a_100000210253_100009817053 [0,2,0,0,0,0|2,0,0]=4 16097 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1O)O 34a_100000210253_100009814262 [0,2,0,0,0,0|2,0,0]=4 16098 B17R1.66846 CCCCCOCC(=O)c1ccc(cc1O)O 7a_100000210253_100009814262 [0,2,0,0,0,0|2,0,0]=4 16099 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1Br)F 62a_100012361341_100000210326 [0,2,0,0,0,0|2,0,0]=4 16100 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1C)C 62a_100000210326_100000229959 [0,2,0,0,0,0|2,0,0]=4 16101 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1C)C 62a_100000229959_100000210326 [0,2,0,0,0,0|2,0,0]=4 16102 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1Cl)Cl 62a_100011218845_100000210326 [0,2,0,0,0,0|2,0,0]=4 16103 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1Cl)F 62a_100000210326_100012056422 [0,2,0,0,0,0|2,0,0]=4 16104 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1Cl)F 62a_100012056422_100000210326 [0,2,0,0,0,0|2,0,0]=4 16105 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1F)Br 62a_200012361339_100000210326 [0,2,0,0,0,0|2,0,0]=4 16106 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1F)Cl 62a_100000210326_100012351891 [0,2,0,0,0,0|2,0,0]=4 16107 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1F)Cl 62a_100012351891_100000210326 [0,2,0,0,0,0|2,0,0]=4 16108 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1F)F 62a_100000210326_100000229962 [0,2,0,0,0,0|2,0,0]=4 16109 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1F)F 62a_100000229962_100000210326 [0,2,0,0,0,0|2,0,0]=4 16110 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1O)F 62a_100000210326_100009817053 [0,2,0,0,0,0|2,0,0]=4 16111 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1O)F 62a_100009817053_100000210326 [0,2,0,0,0,0|2,0,0]=4 16112 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1O)O 62a_100000210326_100009814262 [0,2,0,0,0,0|2,0,0]=4 16113 B17R1.66846 CCCCCSCC(=O)c1ccc(cc1O)O 62a_100009814262_100000210326 [0,2,0,0,0,0|2,0,0]=4 16114 B17R1.66846 CCCCNCCC(=O)c1ccc(cc1F)Br 2230a_100000102301_100010339771 [0,2,0,0,0,0|2,0,0]=4 16115 B17R1.66846 CCCCNCCC(=O)c1ccc(cc1F)Br 7a_106832991798_100010339771 [0,2,0,0,0,0|2,0,0]=4 16116 B17R1.66846 CCCCNCOC(=O)c1ccc(cc1Cl)Cl 2230a_100000102301_100010978946 [0,2,0,0,0,0|1,0,0]=3 16117 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Br)Br 1458a_100000762965_100000743108 [0,2,0,0,0,0|2,0,0]=4 16118 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000743108 [0,2,0,0,0,0|2,0,0]=4 16119 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_100000743108 [0,2,0,0,0,0|2,0,0]=4 16120 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Br)F 1458a_100000212304_100000743108 [0,2,0,0,0,0|2,0,0]=4 16121 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Br)I 1458a_100012360512_100000743108 [0,2,0,0,0,0|2,0,0]=4 16122 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100000743108 [0,2,0,0,0,0|2,0,0]=4 16123 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000743108 [0,2,0,0,0,0|2,0,0]=4 16124 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000743108 [0,2,0,0,0,0|2,0,0]=4 16125 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000743108 [0,2,0,0,0,0|2,0,0]=4 16126 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000743108 [0,2,0,0,0,0|2,0,0]=4 16127 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000743108 [0,2,0,0,0,0|2,0,0]=4 16128 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000743108 [0,2,0,0,0,0|2,0,0]=4 16129 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_100000743108 [0,2,0,0,0,0|2,0,0]=4 16130 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000743108 [0,2,0,0,0,0|2,0,0]=4 16131 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_100000743108 [0,2,0,0,0,0|2,0,0]=4 16132 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Cl)F 1458a_100000211397_100000743108 [0,2,0,0,0,0|2,0,0]=4 16133 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Cl)I 1458a_100000751301_100000743108 [0,2,0,0,0,0|2,0,0]=4 16134 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100000743108 [0,2,0,0,0,0|2,0,0]=4 16135 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)Br 1458a_100000214689_100000743108 [0,2,0,0,0,0|2,0,0]=4 16136 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)Br 34a_100000210227_100010339771 [0,2,0,0,0,0|2,0,0]=4 16137 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)Br 7a_100000210227_100010339771 [0,2,0,0,0,0|2,0,0]=4 16138 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000743108 [0,2,0,0,0,0|2,0,0]=4 16139 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)Cl 1458a_100000212326_100000743108 [0,2,0,0,0,0|2,0,0]=4 16140 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)F 1458a_100000211022_100000743108 [0,2,0,0,0,0|2,0,0]=4 16141 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)I 1458a_100000037189_100000743108 [0,2,0,0,0,0|2,0,0]=4 16142 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1F)O 1458a_100000689029_100000743108 [0,2,0,0,0,0|2,0,0]=4 16143 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1I)Br 1458a_100000751167_100000743108 [0,2,0,0,0,0|2,0,0]=4 16144 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000743108 [0,2,0,0,0,0|2,0,0]=4 16145 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1I)Cl 1458a_100000739380_100000743108 [0,2,0,0,0,0|2,0,0]=4 16146 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1I)F 1458a_100000739341_100000743108 [0,2,0,0,0,0|2,0,0]=4 16147 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1O)Br 1458a_100000744433_100000743108 [0,2,0,0,0,0|2,0,0]=4 16148 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000743108 [0,2,0,0,0,0|2,0,0]=4 16149 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1O)Cl 1458a_100000188622_100000743108 [0,2,0,0,0,0|2,0,0]=4 16150 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1O)F 1458a_100000746061_100000743108 [0,2,0,0,0,0|2,0,0]=4 16151 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1O)I 1458a_100000091984_100000743108 [0,2,0,0,0,0|2,0,0]=4 16152 B17R1.66846 CCCCOCCC(=O)c1ccc(cc1O)O 1458a_100000212172_100000743108 [0,2,0,0,0,0|2,0,0]=4 16153 B17R1.66846 CCCCSCCC(=O)c1ccc(cc1F)Br 62a_100000210211_100010339771 [0,2,0,0,0,0|2,0,0]=4 16154 B17R1.66846 CCCCSCCC(=O)c1ccc(cc1F)Br 62a_100010339771_100000210210 [0,2,0,0,0,0|2,0,0]=4 16155 B17R1.66846 CCCCSCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_100000210210 [0,2,0,0,0,0|1,0,0]=3 16156 B17R1.66846 CCCOCCCC(=O)c1ccc(cc1F)F 34a_100000210258_100012405562 [0,2,0,0,0,0|2,0,0]=4 16157 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)Br 1626a_100161115042_100000762965 [0,2,0,0,0,0|2,0,0]=4 16158 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)Br 240690a_100161115042_100000762965 [0,2,0,0,0,0|2,0,0]=4 16159 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)Br 527a_100161115042_100000762965 [0,2,0,0,0,0|2,0,0]=4 16160 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)C 1626a_100161115042_100000685072 [0,2,0,0,0,0|2,0,0]=4 16161 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)C 240690a_100161115042_100000685072 [0,2,0,0,0,0|2,0,0]=4 16162 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)C 527a_100161115042_100000685072 [0,2,0,0,0,0|2,0,0]=4 16163 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)Cl 1626a_100161115042_100000766353 [0,2,0,0,0,0|2,0,0]=4 16164 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)Cl 240690a_100161115042_100000766353 [0,2,0,0,0,0|2,0,0]=4 16165 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)Cl 527a_100161115042_100000766353 [0,2,0,0,0,0|2,0,0]=4 16166 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)F 1626a_100161115042_100000212304 [0,2,0,0,0,0|2,0,0]=4 16167 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)F 240690a_100161115042_100000212304 [0,2,0,0,0,0|2,0,0]=4 16168 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)F 527a_100161115042_100000212304 [0,2,0,0,0,0|2,0,0]=4 16169 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)I 1626a_100161115042_100012360512 [0,2,0,0,0,0|2,0,0]=4 16170 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)I 240690a_100161115042_100012360512 [0,2,0,0,0,0|2,0,0]=4 16171 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)I 527a_100161115042_100012360512 [0,2,0,0,0,0|2,0,0]=4 16172 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)O 240690a_100161115042_100012344906 [0,2,0,0,0,0|2,0,0]=4 16173 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Br)O 527a_100161115042_100012344906 [0,2,0,0,0,0|2,0,0]=4 16174 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)Br 1626a_100161115042_100000741311 [0,2,0,0,0,0|2,0,0]=4 16175 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)Br 240690a_100161115042_100000741311 [0,2,0,0,0,0|2,0,0]=4 16176 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)Br 527a_100161115042_100000741311 [0,2,0,0,0,0|2,0,0]=4 16177 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)C 1626a_100161115042_100000211164 [0,2,0,0,0,0|2,0,0]=4 16178 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)C 240690a_100161115042_100000211164 [0,2,0,0,0,0|2,0,0]=4 16179 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)C 527a_100161115042_100000211164 [0,2,0,0,0,0|2,0,0]=4 16180 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)Cl 1626a_100161115042_100000688705 [0,2,0,0,0,0|2,0,0]=4 16181 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)Cl 240690a_100161115042_100000688705 [0,2,0,0,0,0|2,0,0]=4 16182 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)Cl 527a_100161115042_100000688705 [0,2,0,0,0,0|2,0,0]=4 16183 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)F 1626a_100161115042_100000686989 [0,2,0,0,0,0|2,0,0]=4 16184 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)F 240690a_100161115042_100000686989 [0,2,0,0,0,0|2,0,0]=4 16185 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)F 527a_100161115042_100000686989 [0,2,0,0,0,0|2,0,0]=4 16186 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)I 1626a_100161115042_100010189873 [0,2,0,0,0,0|2,0,0]=4 16187 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)I 240690a_100161115042_100010189873 [0,2,0,0,0,0|2,0,0]=4 16188 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)I 527a_100161115042_100010189873 [0,2,0,0,0,0|2,0,0]=4 16189 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)O 240690a_100161115042_100000692822 [0,2,0,0,0,0|2,0,0]=4 16190 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1C)O 527a_100161115042_100000692822 [0,2,0,0,0,0|2,0,0]=4 16191 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)Br 1626a_100161115042_100000741628 [0,2,0,0,0,0|2,0,0]=4 16192 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)Br 240690a_100161115042_100000741628 [0,2,0,0,0,0|2,0,0]=4 16193 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)Br 527a_100161115042_100000741628 [0,2,0,0,0,0|2,0,0]=4 16194 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)C 1626a_100161115042_100000766932 [0,2,0,0,0,0|2,0,0]=4 16195 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)C 240690a_100161115042_100000766932 [0,2,0,0,0,0|2,0,0]=4 16196 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)C 527a_100161115042_100000766932 [0,2,0,0,0,0|2,0,0]=4 16197 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)Cl 1626a_100161115042_100000185840 [0,2,0,0,0,0|2,0,0]=4 16198 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)Cl 240690a_100161115042_100000185840 [0,2,0,0,0,0|2,0,0]=4 16199 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)Cl 527a_100161115042_100000185840 [0,2,0,0,0,0|2,0,0]=4 16200 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)F 1626a_100161115042_100000211397 [0,2,0,0,0,0|2,0,0]=4 16201 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)F 240690a_100161115042_100000211397 [0,2,0,0,0,0|2,0,0]=4 16202 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)F 527a_100161115042_100000211397 [0,2,0,0,0,0|2,0,0]=4 16203 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)I 1626a_100161115042_100000751301 [0,2,0,0,0,0|2,0,0]=4 16204 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)I 240690a_100161115042_100000751301 [0,2,0,0,0,0|2,0,0]=4 16205 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)I 527a_100161115042_100000751301 [0,2,0,0,0,0|2,0,0]=4 16206 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)N 34a_100000725507_100000210303 [0,2,0,0,0,0|2,0,0]=4 16207 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)O 240690a_100161115042_100000702456 [0,2,0,0,0,0|2,0,0]=4 16208 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1Cl)O 527a_100161115042_100000702456 [0,2,0,0,0,0|2,0,0]=4 16209 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)Br 1626a_100161115042_100000214689 [0,2,0,0,0,0|2,0,0]=4 16210 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)Br 240690a_100161115042_100000214689 [0,2,0,0,0,0|2,0,0]=4 16211 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)Br 527a_100161115042_100000214689 [0,2,0,0,0,0|2,0,0]=4 16212 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)C 1626a_100161115042_100000766033 [0,2,0,0,0,0|2,0,0]=4 16213 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)C 240690a_100161115042_100000766033 [0,2,0,0,0,0|2,0,0]=4 16214 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)C 527a_100161115042_100000766033 [0,2,0,0,0,0|2,0,0]=4 16215 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)Cl 1626a_100161115042_100000212326 [0,2,0,0,0,0|2,0,0]=4 16216 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)Cl 240690a_100161115042_100000212326 [0,2,0,0,0,0|2,0,0]=4 16217 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)Cl 527a_100161115042_100000212326 [0,2,0,0,0,0|2,0,0]=4 16218 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)F 1626a_100161115042_100000211022 [0,2,0,0,0,0|2,0,0]=4 16219 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)F 240690a_100161115042_100000211022 [0,2,0,0,0,0|2,0,0]=4 16220 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)F 527a_100161115042_100000211022 [0,2,0,0,0,0|2,0,0]=4 16221 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)I 1626a_100161115042_100000037189 [0,2,0,0,0,0|2,0,0]=4 16222 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)I 240690a_100161115042_100000037189 [0,2,0,0,0,0|2,0,0]=4 16223 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)I 527a_100161115042_100000037189 [0,2,0,0,0,0|2,0,0]=4 16224 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)O 240690a_100161115042_100000689029 [0,2,0,0,0,0|2,0,0]=4 16225 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1F)O 527a_100161115042_100000689029 [0,2,0,0,0,0|2,0,0]=4 16226 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)Br 1626a_100161115042_100000751167 [0,2,0,0,0,0|2,0,0]=4 16227 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)Br 240690a_100161115042_100000751167 [0,2,0,0,0,0|2,0,0]=4 16228 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)Br 527a_100161115042_100000751167 [0,2,0,0,0,0|2,0,0]=4 16229 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)C 1626a_100161115042_100009999607 [0,2,0,0,0,0|2,0,0]=4 16230 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)C 240690a_100161115042_100009999607 [0,2,0,0,0,0|2,0,0]=4 16231 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)C 527a_100161115042_100009999607 [0,2,0,0,0,0|2,0,0]=4 16232 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)Cl 1626a_100161115042_100000739380 [0,2,0,0,0,0|2,0,0]=4 16233 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)Cl 240690a_100161115042_100000739380 [0,2,0,0,0,0|2,0,0]=4 16234 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)Cl 527a_100161115042_100000739380 [0,2,0,0,0,0|2,0,0]=4 16235 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)F 1626a_100161115042_100000739341 [0,2,0,0,0,0|2,0,0]=4 16236 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)F 240690a_100161115042_100000739341 [0,2,0,0,0,0|2,0,0]=4 16237 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1I)F 527a_100161115042_100000739341 [0,2,0,0,0,0|2,0,0]=4 16238 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)Br 240690a_100161115042_100000744433 [0,2,0,0,0,0|2,0,0]=4 16239 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)Br 527a_100161115042_100000744433 [0,2,0,0,0,0|2,0,0]=4 16240 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)C 1626a_100161115042_100000212137 [0,2,0,0,0,0|2,0,0]=4 16241 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)C 240690a_100161115042_100000212137 [0,2,0,0,0,0|2,0,0]=4 16242 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)C 527a_100161115042_100000212137 [0,2,0,0,0,0|2,0,0]=4 16243 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)Cl 240690a_100161115042_100000188622 [0,2,0,0,0,0|2,0,0]=4 16244 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)Cl 527a_100161115042_100000188622 [0,2,0,0,0,0|2,0,0]=4 16245 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)F 240690a_100161115042_100000746061 [0,2,0,0,0,0|2,0,0]=4 16246 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)F 527a_100161115042_100000746061 [0,2,0,0,0,0|2,0,0]=4 16247 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)I 240690a_100161115042_100000091984 [0,2,0,0,0,0|2,0,0]=4 16248 B17R1.66846 CCCOCCNC(=O)c1ccc(cc1O)I 527a_100161115042_100000091984 [0,2,0,0,0,0|2,0,0]=4 16249 B17R1.66846 CCCSCCCC(=O)c1ccc(cc1F)F 62a_100000210303_100012405562 [0,2,0,0,0,0|2,0,0]=4 16250 B17R1.66846 CCCSCCCC(=O)c1ccc(cc1F)F 62a_100012405562_100000210303 [0,2,0,0,0,0|2,0,0]=4 16251 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)Br 11a_100020603323_100000762965 [0,2,0,0,0,0|2,0,0]=4 16252 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)Br 240690a_100020603323_100000762965 [0,2,0,0,0,0|2,0,0]=4 16253 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)Br 527a_100020603323_100000762965 [0,2,0,0,0,0|2,0,0]=4 16254 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)C 11a_100020603323_100000685072 [0,2,0,0,0,0|2,0,0]=4 16255 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)C 240690a_100020603323_100000685072 [0,2,0,0,0,0|2,0,0]=4 16256 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)C 527a_100020603323_100000685072 [0,2,0,0,0,0|2,0,0]=4 16257 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)Cl 11a_100020603323_100000766353 [0,2,0,0,0,0|2,0,0]=4 16258 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)Cl 240690a_100020603323_100000766353 [0,2,0,0,0,0|2,0,0]=4 16259 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)Cl 527a_100020603323_100000766353 [0,2,0,0,0,0|2,0,0]=4 16260 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)F 11a_100020603323_100000212304 [0,2,0,0,0,0|2,0,0]=4 16261 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)F 240690a_100020603323_100000212304 [0,2,0,0,0,0|2,0,0]=4 16262 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)F 527a_100020603323_100000212304 [0,2,0,0,0,0|2,0,0]=4 16263 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)I 11a_100020603323_100012360512 [0,2,0,0,0,0|2,0,0]=4 16264 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)I 240690a_100020603323_100012360512 [0,2,0,0,0,0|2,0,0]=4 16265 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)I 527a_100020603323_100012360512 [0,2,0,0,0,0|2,0,0]=4 16266 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)O 240690a_100020603323_100012344906 [0,2,0,0,0,0|2,0,0]=4 16267 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Br)O 527a_100020603323_100012344906 [0,2,0,0,0,0|2,0,0]=4 16268 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)Br 11a_100020603323_100000741311 [0,2,0,0,0,0|2,0,0]=4 16269 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)Br 240690a_100020603323_100000741311 [0,2,0,0,0,0|2,0,0]=4 16270 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)Br 527a_100020603323_100000741311 [0,2,0,0,0,0|2,0,0]=4 16271 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)C 11a_100020603323_100000211164 [0,2,0,0,0,0|2,0,0]=4 16272 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)C 240690a_100020603323_100000211164 [0,2,0,0,0,0|2,0,0]=4 16273 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)C 527a_100020603323_100000211164 [0,2,0,0,0,0|2,0,0]=4 16274 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)Cl 11a_100020603323_100000688705 [0,2,0,0,0,0|2,0,0]=4 16275 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)Cl 240690a_100020603323_100000688705 [0,2,0,0,0,0|2,0,0]=4 16276 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)Cl 527a_100020603323_100000688705 [0,2,0,0,0,0|2,0,0]=4 16277 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)F 11a_100020603323_100000686989 [0,2,0,0,0,0|2,0,0]=4 16278 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)F 240690a_100020603323_100000686989 [0,2,0,0,0,0|2,0,0]=4 16279 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)F 527a_100020603323_100000686989 [0,2,0,0,0,0|2,0,0]=4 16280 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)I 11a_100020603323_100010189873 [0,2,0,0,0,0|2,0,0]=4 16281 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)I 240690a_100020603323_100010189873 [0,2,0,0,0,0|2,0,0]=4 16282 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)I 527a_100020603323_100010189873 [0,2,0,0,0,0|2,0,0]=4 16283 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)O 240690a_100020603323_100000692822 [0,2,0,0,0,0|2,0,0]=4 16284 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1C)O 527a_100020603323_100000692822 [0,2,0,0,0,0|2,0,0]=4 16285 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)Br 11a_100020603323_100000741628 [0,2,0,0,0,0|2,0,0]=4 16286 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)Br 240690a_100020603323_100000741628 [0,2,0,0,0,0|2,0,0]=4 16287 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)Br 527a_100020603323_100000741628 [0,2,0,0,0,0|2,0,0]=4 16288 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)C 11a_100020603323_100000766932 [0,2,0,0,0,0|2,0,0]=4 16289 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)C 240690a_100020603323_100000766932 [0,2,0,0,0,0|2,0,0]=4 16290 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)C 527a_100020603323_100000766932 [0,2,0,0,0,0|2,0,0]=4 16291 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)Cl 11a_100020603323_100000185840 [0,2,0,0,0,0|2,0,0]=4 16292 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)Cl 240690a_100020603323_100000185840 [0,2,0,0,0,0|2,0,0]=4 16293 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)Cl 527a_100020603323_100000185840 [0,2,0,0,0,0|2,0,0]=4 16294 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)F 11a_100020603323_100000211397 [0,2,0,0,0,0|2,0,0]=4 16295 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)F 240690a_100020603323_100000211397 [0,2,0,0,0,0|2,0,0]=4 16296 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)F 527a_100020603323_100000211397 [0,2,0,0,0,0|2,0,0]=4 16297 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)I 11a_100020603323_100000751301 [0,2,0,0,0,0|2,0,0]=4 16298 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)I 240690a_100020603323_100000751301 [0,2,0,0,0,0|2,0,0]=4 16299 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)I 527a_100020603323_100000751301 [0,2,0,0,0,0|2,0,0]=4 16300 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)O 240690a_100020603323_100000702456 [0,2,0,0,0,0|2,0,0]=4 16301 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1Cl)O 527a_100020603323_100000702456 [0,2,0,0,0,0|2,0,0]=4 16302 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)Br 11a_100020603323_100000214689 [0,2,0,0,0,0|2,0,0]=4 16303 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)Br 240690a_100020603323_100000214689 [0,2,0,0,0,0|2,0,0]=4 16304 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)Br 527a_100020603323_100000214689 [0,2,0,0,0,0|2,0,0]=4 16305 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)C 11a_100020603323_100000766033 [0,2,0,0,0,0|2,0,0]=4 16306 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)C 240690a_100020603323_100000766033 [0,2,0,0,0,0|2,0,0]=4 16307 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)C 527a_100020603323_100000766033 [0,2,0,0,0,0|2,0,0]=4 16308 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)Cl 11a_100020603323_100000212326 [0,2,0,0,0,0|2,0,0]=4 16309 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)Cl 240690a_100020603323_100000212326 [0,2,0,0,0,0|2,0,0]=4 16310 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)Cl 527a_100020603323_100000212326 [0,2,0,0,0,0|2,0,0]=4 16311 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)F 11a_100020603323_100000211022 [0,2,0,0,0,0|2,0,0]=4 16312 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)F 240690a_100020603323_100000211022 [0,2,0,0,0,0|2,0,0]=4 16313 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)F 527a_100020603323_100000211022 [0,2,0,0,0,0|2,0,0]=4 16314 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)I 11a_100020603323_100000037189 [0,2,0,0,0,0|2,0,0]=4 16315 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)I 240690a_100020603323_100000037189 [0,2,0,0,0,0|2,0,0]=4 16316 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)I 527a_100020603323_100000037189 [0,2,0,0,0,0|2,0,0]=4 16317 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)O 240690a_100020603323_100000689029 [0,2,0,0,0,0|2,0,0]=4 16318 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1F)O 527a_100020603323_100000689029 [0,2,0,0,0,0|2,0,0]=4 16319 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)Br 11a_100020603323_100000751167 [0,2,0,0,0,0|2,0,0]=4 16320 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)Br 240690a_100020603323_100000751167 [0,2,0,0,0,0|2,0,0]=4 16321 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)Br 527a_100020603323_100000751167 [0,2,0,0,0,0|2,0,0]=4 16322 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)C 11a_100020603323_100009999607 [0,2,0,0,0,0|2,0,0]=4 16323 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)C 240690a_100020603323_100009999607 [0,2,0,0,0,0|2,0,0]=4 16324 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)C 527a_100020603323_100009999607 [0,2,0,0,0,0|2,0,0]=4 16325 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)Cl 11a_100020603323_100000739380 [0,2,0,0,0,0|2,0,0]=4 16326 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)Cl 240690a_100020603323_100000739380 [0,2,0,0,0,0|2,0,0]=4 16327 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)Cl 527a_100020603323_100000739380 [0,2,0,0,0,0|2,0,0]=4 16328 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)F 11a_100020603323_100000739341 [0,2,0,0,0,0|2,0,0]=4 16329 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)F 240690a_100020603323_100000739341 [0,2,0,0,0,0|2,0,0]=4 16330 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1I)F 527a_100020603323_100000739341 [0,2,0,0,0,0|2,0,0]=4 16331 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)Br 240690a_100020603323_100000744433 [0,2,0,0,0,0|2,0,0]=4 16332 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)Br 527a_100020603323_100000744433 [0,2,0,0,0,0|2,0,0]=4 16333 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)C 240690a_100020603323_100000212137 [0,2,0,0,0,0|2,0,0]=4 16334 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)C 527a_100020603323_100000212137 [0,2,0,0,0,0|2,0,0]=4 16335 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)Cl 11a_100020603323_100000188622 [0,2,0,0,0,0|2,0,0]=4 16336 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)Cl 240690a_100020603323_100000188622 [0,2,0,0,0,0|2,0,0]=4 16337 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)Cl 527a_100020603323_100000188622 [0,2,0,0,0,0|2,0,0]=4 16338 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)F 240690a_100020603323_100000746061 [0,2,0,0,0,0|2,0,0]=4 16339 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)F 527a_100020603323_100000746061 [0,2,0,0,0,0|2,0,0]=4 16340 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)I 240690a_100020603323_100000091984 [0,2,0,0,0,0|2,0,0]=4 16341 B17R1.66846 CCCSCCNC(=O)c1ccc(cc1O)I 527a_100020603323_100000091984 [0,2,0,0,0,0|2,0,0]=4 16342 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Br 11a_100000210961_100000762965 [0,2,0,0,0,0|2,0,0]=4 16343 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Br 1626a_100000210961_100000762965 [0,2,0,0,0,0|2,0,0]=4 16344 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Br 240690a_100000210961_100000762965 [0,2,0,0,0,0|2,0,0]=4 16345 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Br 527a_100000210961_100000762965 [0,2,0,0,0,0|2,0,0]=4 16346 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)C 11a_100000210961_100000685072 [0,2,0,0,0,0|2,0,0]=4 16347 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)C 1626a_100000210961_100000685072 [0,2,0,0,0,0|2,0,0]=4 16348 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)C 240690a_100000210961_100000685072 [0,2,0,0,0,0|2,0,0]=4 16349 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)C 527a_100000210961_100000685072 [0,2,0,0,0,0|2,0,0]=4 16350 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Cl 11a_100000210961_100000766353 [0,2,0,0,0,0|2,0,0]=4 16351 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Cl 1626a_100000210961_100000766353 [0,2,0,0,0,0|2,0,0]=4 16352 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Cl 240690a_100000210961_100000766353 [0,2,0,0,0,0|2,0,0]=4 16353 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)Cl 527a_100000210961_100000766353 [0,2,0,0,0,0|2,0,0]=4 16354 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)F 11a_100000210961_100000212304 [0,2,0,0,0,0|2,0,0]=4 16355 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)F 1626a_100000210961_100000212304 [0,2,0,0,0,0|2,0,0]=4 16356 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)F 240690a_100000210961_100000212304 [0,2,0,0,0,0|2,0,0]=4 16357 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)F 527a_100000210961_100000212304 [0,2,0,0,0,0|2,0,0]=4 16358 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)I 11a_100000210961_100012360512 [0,2,0,0,0,0|2,0,0]=4 16359 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)I 1626a_100000210961_100012360512 [0,2,0,0,0,0|2,0,0]=4 16360 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)I 240690a_100000210961_100012360512 [0,2,0,0,0,0|2,0,0]=4 16361 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)I 527a_100000210961_100012360512 [0,2,0,0,0,0|2,0,0]=4 16362 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)O 240690a_100000210961_100012344906 [0,2,0,0,0,0|2,0,0]=4 16363 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Br)O 527a_100000210961_100012344906 [0,2,0,0,0,0|2,0,0]=4 16364 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Br 11a_100000210961_100000741311 [0,2,0,0,0,0|2,0,0]=4 16365 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Br 1626a_100000210961_100000741311 [0,2,0,0,0,0|2,0,0]=4 16366 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Br 240690a_100000210961_100000741311 [0,2,0,0,0,0|2,0,0]=4 16367 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Br 527a_100000210961_100000741311 [0,2,0,0,0,0|2,0,0]=4 16368 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)C 11a_100000210961_100000211164 [0,2,0,0,0,0|2,0,0]=4 16369 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)C 1626a_100000210961_100000211164 [0,2,0,0,0,0|2,0,0]=4 16370 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)C 240690a_100000210961_100000211164 [0,2,0,0,0,0|2,0,0]=4 16371 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)C 527a_100000210961_100000211164 [0,2,0,0,0,0|2,0,0]=4 16372 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Cl 11a_100000210961_100000688705 [0,2,0,0,0,0|2,0,0]=4 16373 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Cl 1626a_100000210961_100000688705 [0,2,0,0,0,0|2,0,0]=4 16374 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Cl 240690a_100000210961_100000688705 [0,2,0,0,0,0|2,0,0]=4 16375 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)Cl 527a_100000210961_100000688705 [0,2,0,0,0,0|2,0,0]=4 16376 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)F 11a_100000210961_100000686989 [0,2,0,0,0,0|2,0,0]=4 16377 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)F 1626a_100000210961_100000686989 [0,2,0,0,0,0|2,0,0]=4 16378 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)F 240690a_100000210961_100000686989 [0,2,0,0,0,0|2,0,0]=4 16379 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)F 527a_100000210961_100000686989 [0,2,0,0,0,0|2,0,0]=4 16380 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)I 11a_100000210961_100010189873 [0,2,0,0,0,0|2,0,0]=4 16381 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)I 1626a_100000210961_100010189873 [0,2,0,0,0,0|2,0,0]=4 16382 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)I 240690a_100000210961_100010189873 [0,2,0,0,0,0|2,0,0]=4 16383 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)I 527a_100000210961_100010189873 [0,2,0,0,0,0|2,0,0]=4 16384 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)O 240690a_100000210961_100000692822 [0,2,0,0,0,0|2,0,0]=4 16385 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1C)O 527a_100000210961_100000692822 [0,2,0,0,0,0|2,0,0]=4 16386 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Br 11a_100000210961_100000741628 [0,2,0,0,0,0|2,0,0]=4 16387 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Br 1626a_100000210961_100000741628 [0,2,0,0,0,0|2,0,0]=4 16388 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Br 240690a_100000210961_100000741628 [0,2,0,0,0,0|2,0,0]=4 16389 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Br 527a_100000210961_100000741628 [0,2,0,0,0,0|2,0,0]=4 16390 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)C 11a_100000210961_100000766932 [0,2,0,0,0,0|2,0,0]=4 16391 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)C 1626a_100000210961_100000766932 [0,2,0,0,0,0|2,0,0]=4 16392 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)C 240690a_100000210961_100000766932 [0,2,0,0,0,0|2,0,0]=4 16393 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)C 527a_100000210961_100000766932 [0,2,0,0,0,0|2,0,0]=4 16394 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Cl 11a_100000210961_100000185840 [0,2,0,0,0,0|2,0,0]=4 16395 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Cl 1626a_100000210961_100000185840 [0,2,0,0,0,0|2,0,0]=4 16396 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Cl 240690a_100000210961_100000185840 [0,2,0,0,0,0|2,0,0]=4 16397 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)Cl 527a_100000210961_100000185840 [0,2,0,0,0,0|2,0,0]=4 16398 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)F 11a_100000210961_100000211397 [0,2,0,0,0,0|2,0,0]=4 16399 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)F 1626a_100000210961_100000211397 [0,2,0,0,0,0|2,0,0]=4 16400 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)F 240690a_100000210961_100000211397 [0,2,0,0,0,0|2,0,0]=4 16401 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)F 527a_100000210961_100000211397 [0,2,0,0,0,0|2,0,0]=4 16402 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)I 11a_100000210961_100000751301 [0,2,0,0,0,0|2,0,0]=4 16403 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)I 1626a_100000210961_100000751301 [0,2,0,0,0,0|2,0,0]=4 16404 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)I 240690a_100000210961_100000751301 [0,2,0,0,0,0|2,0,0]=4 16405 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)I 527a_100000210961_100000751301 [0,2,0,0,0,0|2,0,0]=4 16406 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)O 240690a_100000210961_100000702456 [0,2,0,0,0,0|2,0,0]=4 16407 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1Cl)O 527a_100000210961_100000702456 [0,2,0,0,0,0|2,0,0]=4 16408 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Br 11a_100000210961_100000214689 [0,2,0,0,0,0|2,0,0]=4 16409 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Br 1626a_100000210961_100000214689 [0,2,0,0,0,0|2,0,0]=4 16410 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Br 240690a_100000210961_100000214689 [0,2,0,0,0,0|2,0,0]=4 16411 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Br 527a_100000210961_100000214689 [0,2,0,0,0,0|2,0,0]=4 16412 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)C 11a_100000210961_100000766033 [0,2,0,0,0,0|2,0,0]=4 16413 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)C 1626a_100000210961_100000766033 [0,2,0,0,0,0|2,0,0]=4 16414 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)C 240690a_100000210961_100000766033 [0,2,0,0,0,0|2,0,0]=4 16415 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)C 527a_100000210961_100000766033 [0,2,0,0,0,0|2,0,0]=4 16416 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Cl 11a_100000210961_100000212326 [0,2,0,0,0,0|2,0,0]=4 16417 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Cl 1626a_100000210961_100000212326 [0,2,0,0,0,0|2,0,0]=4 16418 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Cl 240690a_100000210961_100000212326 [0,2,0,0,0,0|2,0,0]=4 16419 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)Cl 527a_100000210961_100000212326 [0,2,0,0,0,0|2,0,0]=4 16420 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)F 11a_100000210961_100000211022 [0,2,0,0,0,0|2,0,0]=4 16421 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)F 1626a_100000210961_100000211022 [0,2,0,0,0,0|2,0,0]=4 16422 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)F 240690a_100000210961_100000211022 [0,2,0,0,0,0|2,0,0]=4 16423 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)F 527a_100000210961_100000211022 [0,2,0,0,0,0|2,0,0]=4 16424 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)I 11a_100000210961_100000037189 [0,2,0,0,0,0|2,0,0]=4 16425 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)I 1626a_100000210961_100000037189 [0,2,0,0,0,0|2,0,0]=4 16426 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)I 240690a_100000210961_100000037189 [0,2,0,0,0,0|2,0,0]=4 16427 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)I 527a_100000210961_100000037189 [0,2,0,0,0,0|2,0,0]=4 16428 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)O 240690a_100000210961_100000689029 [0,2,0,0,0,0|2,0,0]=4 16429 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1F)O 527a_100000210961_100000689029 [0,2,0,0,0,0|2,0,0]=4 16430 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Br 11a_100000210961_100000751167 [0,2,0,0,0,0|2,0,0]=4 16431 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Br 1626a_100000210961_100000751167 [0,2,0,0,0,0|2,0,0]=4 16432 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Br 240690a_100000210961_100000751167 [0,2,0,0,0,0|2,0,0]=4 16433 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Br 527a_100000210961_100000751167 [0,2,0,0,0,0|2,0,0]=4 16434 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)C 11a_100000210961_100009999607 [0,2,0,0,0,0|2,0,0]=4 16435 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)C 1626a_100000210961_100009999607 [0,2,0,0,0,0|2,0,0]=4 16436 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)C 240690a_100000210961_100009999607 [0,2,0,0,0,0|2,0,0]=4 16437 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)C 527a_100000210961_100009999607 [0,2,0,0,0,0|2,0,0]=4 16438 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Cl 11a_100000210961_100000739380 [0,2,0,0,0,0|2,0,0]=4 16439 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Cl 1626a_100000210961_100000739380 [0,2,0,0,0,0|2,0,0]=4 16440 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Cl 240690a_100000210961_100000739380 [0,2,0,0,0,0|2,0,0]=4 16441 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)Cl 527a_100000210961_100000739380 [0,2,0,0,0,0|2,0,0]=4 16442 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)F 11a_100000210961_100000739341 [0,2,0,0,0,0|2,0,0]=4 16443 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)F 1626a_100000210961_100000739341 [0,2,0,0,0,0|2,0,0]=4 16444 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)F 240690a_100000210961_100000739341 [0,2,0,0,0,0|2,0,0]=4 16445 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1I)F 527a_100000210961_100000739341 [0,2,0,0,0,0|2,0,0]=4 16446 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)Br 240690a_100000210961_100000744433 [0,2,0,0,0,0|2,0,0]=4 16447 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)Br 527a_100000210961_100000744433 [0,2,0,0,0,0|2,0,0]=4 16448 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)C 1626a_100000210961_100000212137 [0,2,0,0,0,0|2,0,0]=4 16449 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)C 240690a_100000210961_100000212137 [0,2,0,0,0,0|2,0,0]=4 16450 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)C 527a_100000210961_100000212137 [0,2,0,0,0,0|2,0,0]=4 16451 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)Cl 11a_100000210961_100000188622 [0,2,0,0,0,0|2,0,0]=4 16452 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)Cl 240690a_100000210961_100000188622 [0,2,0,0,0,0|2,0,0]=4 16453 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)Cl 527a_100000210961_100000188622 [0,2,0,0,0,0|2,0,0]=4 16454 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)F 240690a_100000210961_100000746061 [0,2,0,0,0,0|2,0,0]=4 16455 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)F 527a_100000210961_100000746061 [0,2,0,0,0,0|2,0,0]=4 16456 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)I 240690a_100000210961_100000091984 [0,2,0,0,0,0|2,0,0]=4 16457 B17R1.66846 CCOCCCNC(=O)c1ccc(cc1O)I 527a_100000210961_100000091984 [0,2,0,0,0,0|2,0,0]=4 16458 B17R1.66846 CCOCSCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_100000739092 [0,2,0,0,0,0|2,0,0]=4 16459 B17R1.66846 COCCNCOC(=O)c1ccc(cc1Cl)Cl 2230a_100000209980_100010978946 [0,2,0,0,0,0|2,0,0]=4 16460 B17R1.66846 COCCSCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_100000233755 [0,2,0,0,0,0|2,0,0]=4 16461 B17R1.66846 CSCCNCOC(=O)c1ccc(cc1Cl)Cl 2230a_100020590264_100010978946 [0,2,0,0,0,0|2,0,0]=4 16462 B17R1.66846 CSCCSCOC(=O)c1ccc(cc1Cl)Cl 62a_100010978946_100000751147 [0,2,0,0,0,0|2,0,0]=4 16463 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCF)Br 1458a_100000741311_100015922095 [0,2,0,0,0,0|2,0,0]=4 16464 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCF)Cl 1458a_100000688705_100015922095 [0,2,0,0,0,0|2,0,0]=4 16465 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCF)F 1458a_100000686989_100015922095 [0,2,0,0,0,0|2,0,0]=4 16466 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCF)I 1458a_100010189873_100015922095 [0,2,0,0,0,0|2,0,0]=4 16467 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCF)O 1458a_100000692822_100015922095 [0,2,0,0,0,0|2,0,0]=4 16468 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCO)Br 1458a_100000741311_100000766143 [0,2,0,0,0,0|2,0,0]=4 16469 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCO)Cl 1458a_100000688705_100000766143 [0,2,0,0,0,0|2,0,0]=4 16470 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCO)F 1458a_100000686989_100000766143 [0,2,0,0,0,0|2,0,0]=4 16471 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCO)I 1458a_100010189873_100000766143 [0,2,0,0,0,0|2,0,0]=4 16472 B17R1.66846 Cc1cc(ccc1C(=O)CCCCCCO)O 1458a_100000692822_100000766143 [0,2,0,0,0,0|2,0,0]=4 16473 B17R1.66846 Cc1cc(ccc1C(=O)NCCCCCO)Br 240690a_100000762737_100000741311 [0,2,0,0,0,0|2,0,0]=4 16474 B17R1.66846 Cc1cc(ccc1C(=O)NCCCCCO)Cl 240690a_100000762737_100000688705 [0,2,0,0,0,0|2,0,0]=4 16475 B17R1.66846 Cc1cc(ccc1C(=O)NCCCCCO)F 240690a_100000762737_100000686989 [0,2,0,0,0,0|2,0,0]=4 16476 B17R1.66846 Cc1cc(ccc1C(=O)NCCCCCO)I 240690a_100000762737_100010189873 [0,2,0,0,0,0|2,0,0]=4 16477 B17R1.66846 Cc1cc(ccc1C(=O)NCCCCCO)O 240690a_100000762737_100000692822 [0,2,0,0,0,0|2,0,0]=4 16478 B17R1.66846 Cc1ccc(c(c1)Br)C(=O)CCCCCCF 1458a_100000685072_100015922095 [0,2,0,0,0,0|2,0,0]=4 16479 B17R1.66846 Cc1ccc(c(c1)Br)C(=O)CCCCCCO 1458a_100000685072_100000766143 [0,2,0,0,0,0|2,0,0]=4 16480 B17R1.66846 Cc1ccc(c(c1)Br)C(=O)NCCCCCO 240690a_100000762737_100000685072 [0,2,0,0,0,0|2,0,0]=4 16481 B17R1.66846 Cc1ccc(c(c1)C)C(=O)CCCCCCF 1458a_100000211164_100015922095 [0,2,0,0,0,0|2,0,0]=4 16482 B17R1.66846 Cc1ccc(c(c1)C)C(=O)CCCCCCO 1458a_100000211164_100000766143 [0,2,0,0,0,0|2,0,0]=4 16483 B17R1.66846 Cc1ccc(c(c1)C)C(=O)NCCCCCO 240690a_100000762737_100000211164 [0,2,0,0,0,0|2,0,0]=4 16484 B17R1.66846 Cc1ccc(c(c1)Cl)C(=O)CCCCCCF 1458a_100000766932_100015922095 [0,2,0,0,0,0|2,0,0]=4 16485 B17R1.66846 Cc1ccc(c(c1)Cl)C(=O)CCCCCCO 1458a_100000766932_100000766143 [0,2,0,0,0,0|2,0,0]=4 16486 B17R1.66846 Cc1ccc(c(c1)Cl)C(=O)NCCCCCO 240690a_100000762737_100000766932 [0,2,0,0,0,0|2,0,0]=4 16487 B17R1.66846 Cc1ccc(c(c1)F)C(=O)CCCCCCF 1458a_100000766033_100015922095 [0,2,0,0,0,0|2,0,0]=4 16488 B17R1.66846 Cc1ccc(c(c1)F)C(=O)CCCCCCO 1458a_100000766033_100000766143 [0,2,0,0,0,0|2,0,0]=4 16489 B17R1.66846 Cc1ccc(c(c1)F)C(=O)NCCCCCO 240690a_100000762737_100000766033 [0,2,0,0,0,0|2,0,0]=4 16490 B17R1.66846 Cc1ccc(c(c1)I)C(=O)CCCCCCF 1458a_100009999607_100015922095 [0,2,0,0,0,0|2,0,0]=4 16491 B17R1.66846 Cc1ccc(c(c1)I)C(=O)CCCCCCO 1458a_100009999607_100000766143 [0,2,0,0,0,0|2,0,0]=4 16492 B17R1.66846 Cc1ccc(c(c1)I)C(=O)NCCCCCO 240690a_100000762737_100009999607 [0,2,0,0,0,0|2,0,0]=4 16493 B17R1.66846 Cc1ccc(c(c1)O)C(=O)CCCCCCF 1458a_100000212137_100015922095 [0,2,0,0,0,0|2,0,0]=4 16494 B17R1.66846 Cc1ccc(c(c1)O)C(=O)CCCCCCO 1458a_100000212137_100000766143 [0,2,0,0,0,0|2,0,0]=4 16495 B17R1.66846 Cc1ccc(c(c1)O)C(=O)NCCCCCO 240690a_100000762737_100000212137 [0,2,0,0,0,0|2,0,0]=4 16496 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Br)Br 1458a_100000762965_100015922095 [0,2,0,0,0,0|2,0,0]=4 16497 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Br)Cl 1458a_100000766353_100015922095 [0,2,0,0,0,0|2,0,0]=4 16498 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Br)F 1458a_100000212304_100015922095 [0,2,0,0,0,0|2,0,0]=4 16499 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Br)I 1458a_100012360512_100015922095 [0,2,0,0,0,0|2,0,0]=4 16500 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Br)O 1458a_100012344906_100015922095 [0,2,0,0,0,0|2,0,0]=4 16501 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Cl)Br 1458a_100000741628_100015922095 [0,2,0,0,0,0|2,0,0]=4 16502 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Cl)Cl 1458a_100000185840_100015922095 [0,2,0,0,0,0|2,0,0]=4 16503 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Cl)F 1458a_100000211397_100015922095 [0,2,0,0,0,0|2,0,0]=4 16504 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Cl)I 1458a_100000751301_100015922095 [0,2,0,0,0,0|2,0,0]=4 16505 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1Cl)O 1458a_100000702456_100015922095 [0,2,0,0,0,0|2,0,0]=4 16506 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1F)Br 1458a_100000214689_100015922095 [0,2,0,0,0,0|2,0,0]=4 16507 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1F)Cl 1458a_100000212326_100015922095 [0,2,0,0,0,0|2,0,0]=4 16508 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1F)F 1458a_100000211022_100015922095 [0,2,0,0,0,0|2,0,0]=4 16509 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1F)I 1458a_100000037189_100015922095 [0,2,0,0,0,0|2,0,0]=4 16510 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1F)O 1458a_100000689029_100015922095 [0,2,0,0,0,0|2,0,0]=4 16511 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1I)Br 1458a_100000751167_100015922095 [0,2,0,0,0,0|2,0,0]=4 16512 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1I)Cl 1458a_100000739380_100015922095 [0,2,0,0,0,0|2,0,0]=4 16513 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1I)F 1458a_100000739341_100015922095 [0,2,0,0,0,0|2,0,0]=4 16514 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1O)Br 1458a_100000744433_100015922095 [0,2,0,0,0,0|2,0,0]=4 16515 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1O)Cl 1458a_100000188622_100015922095 [0,2,0,0,0,0|2,0,0]=4 16516 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1O)F 1458a_100000746061_100015922095 [0,2,0,0,0,0|2,0,0]=4 16517 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1O)I 1458a_100000091984_100015922095 [0,2,0,0,0,0|2,0,0]=4 16518 B17R1.66846 O=C(CCCCCCF)c1ccc(cc1O)O 1458a_100000212172_100015922095 [0,2,0,0,0,0|2,0,0]=4 16519 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Br)Br 1458a_100000762965_100000766143 [0,2,0,0,0,0|2,0,0]=4 16520 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Br)Cl 1458a_100000766353_100000766143 [0,2,0,0,0,0|2,0,0]=4 16521 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Br)F 1458a_100000212304_100000766143 [0,2,0,0,0,0|2,0,0]=4 16522 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Br)I 1458a_100012360512_100000766143 [0,2,0,0,0,0|2,0,0]=4 16523 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Br)O 1458a_100012344906_100000766143 [0,2,0,0,0,0|2,0,0]=4 16524 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Cl)Br 1458a_100000741628_100000766143 [0,2,0,0,0,0|2,0,0]=4 16525 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Cl)Cl 1458a_100000185840_100000766143 [0,2,0,0,0,0|2,0,0]=4 16526 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Cl)F 1458a_100000211397_100000766143 [0,2,0,0,0,0|2,0,0]=4 16527 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Cl)I 1458a_100000751301_100000766143 [0,2,0,0,0,0|2,0,0]=4 16528 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1Cl)O 1458a_100000702456_100000766143 [0,2,0,0,0,0|2,0,0]=4 16529 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1F)Br 1458a_100000214689_100000766143 [0,2,0,0,0,0|2,0,0]=4 16530 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1F)Cl 1458a_100000212326_100000766143 [0,2,0,0,0,0|2,0,0]=4 16531 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1F)F 1458a_100000211022_100000766143 [0,2,0,0,0,0|2,0,0]=4 16532 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1F)I 1458a_100000037189_100000766143 [0,2,0,0,0,0|2,0,0]=4 16533 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1F)O 1458a_100000689029_100000766143 [0,2,0,0,0,0|2,0,0]=4 16534 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1I)Br 1458a_100000751167_100000766143 [0,2,0,0,0,0|2,0,0]=4 16535 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1I)Cl 1458a_100000739380_100000766143 [0,2,0,0,0,0|2,0,0]=4 16536 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1I)F 1458a_100000739341_100000766143 [0,2,0,0,0,0|2,0,0]=4 16537 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1O)Br 1458a_100000744433_100000766143 [0,2,0,0,0,0|2,0,0]=4 16538 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1O)Cl 1458a_100000188622_100000766143 [0,2,0,0,0,0|2,0,0]=4 16539 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1O)F 1458a_100000746061_100000766143 [0,2,0,0,0,0|2,0,0]=4 16540 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1O)I 1458a_100000091984_100000766143 [0,2,0,0,0,0|2,0,0]=4 16541 B17R1.66846 O=C(CCCCCCO)c1ccc(cc1O)O 1458a_100000212172_100000766143 [0,2,0,0,0,0|2,0,0]=4 16542 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Br)Br 240690a_100000762737_100000762965 [0,2,0,0,0,0|2,0,0]=4 16543 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Br)Cl 240690a_100000762737_100000766353 [0,2,0,0,0,0|2,0,0]=4 16544 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Br)F 240690a_100000762737_100000212304 [0,2,0,0,0,0|2,0,0]=4 16545 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Br)I 240690a_100000762737_100012360512 [0,2,0,0,0,0|2,0,0]=4 16546 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Br)O 240690a_100000762737_100012344906 [0,2,0,0,0,0|2,0,0]=4 16547 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Cl)Br 240690a_100000762737_100000741628 [0,2,0,0,0,0|2,0,0]=4 16548 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Cl)Cl 240690a_100000762737_100000185840 [0,2,0,0,0,0|2,0,0]=4 16549 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Cl)F 240690a_100000762737_100000211397 [0,2,0,0,0,0|2,0,0]=4 16550 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Cl)I 240690a_100000762737_100000751301 [0,2,0,0,0,0|2,0,0]=4 16551 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1Cl)O 240690a_100000762737_100000702456 [0,2,0,0,0,0|2,0,0]=4 16552 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1F)Br 240690a_100000762737_100000214689 [0,2,0,0,0,0|2,0,0]=4 16553 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1F)Cl 240690a_100000762737_100000212326 [0,2,0,0,0,0|2,0,0]=4 16554 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1F)F 240690a_100000762737_100000211022 [0,2,0,0,0,0|2,0,0]=4 16555 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1F)I 240690a_100000762737_100000037189 [0,2,0,0,0,0|2,0,0]=4 16556 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1F)O 240690a_100000762737_100000689029 [0,2,0,0,0,0|2,0,0]=4 16557 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1I)Br 240690a_100000762737_100000751167 [0,2,0,0,0,0|2,0,0]=4 16558 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1I)Cl 240690a_100000762737_100000739380 [0,2,0,0,0,0|2,0,0]=4 16559 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1I)F 240690a_100000762737_100000739341 [0,2,0,0,0,0|2,0,0]=4 16560 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1O)Br 240690a_100000762737_100000744433 [0,2,0,0,0,0|2,0,0]=4 16561 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1O)Cl 240690a_100000762737_100000188622 [0,2,0,0,0,0|2,0,0]=4 16562 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1O)F 240690a_100000762737_100000746061 [0,2,0,0,0,0|2,0,0]=4 16563 B17R1.66846 O=C(NCCCCCO)c1ccc(cc1O)I 240690a_100000762737_100000091984 [0,2,0,0,0,0|2,0,0]=4 16564 B17R1.66846 O=C(OCNCCCF)c1ccc(cc1Cl)Cl 2230a_100015189416_100010978946 [0,2,0,0,0,0|2,0,0]=4 16565 B17R1.66846 O=C(OCSCCCF)c1ccc(cc1Cl)Cl 62a_100010978946_100011934791 [0,2,0,0,0,0|2,0,0]=4 16566 B17R1.66846 O=C(OCSCCCO)c1ccc(cc1Cl)Cl 62a_100010978946_100011215043 [0,2,0,0,0,0|2,0,0]=4 16567 B17R1.54 CCCCCCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000210614 [0,2,0,0,0,0|1,0,0]=3 16568 B17R1.54 CCCCCCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210614 [0,2,0,0,0,0|1,0,0]=3 16569 B17R1.54 CCCCCCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000210614 [0,2,0,0,0,0|1,0,0]=3 16570 B17R1.54 CCCCCCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000210614 [0,2,0,0,0,0|1,0,0]=3 16571 B17R1.54 CCCCCCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000210614 [0,2,0,0,0,0|1,0,0]=3 16572 B17R1.54 CCCCCCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000210614 [0,2,0,0,0,0|1,0,0]=3 16573 B17R1.54 CCCCCCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000210614 [0,2,0,0,0,0|1,0,0]=3 16574 B17R1.54 CCCCCCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210614 [0,2,0,0,0,0|1,0,0]=3 16575 B17R1.54 CCCCCCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000210614 [0,2,0,0,0,0|1,0,0]=3 16576 B17R1.54 CCCCCCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000210614 [0,2,0,0,0,0|1,0,0]=3 16577 B17R1.54 CCCCCCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000210614 [0,2,0,0,0,0|1,0,0]=3 16578 B17R1.54 CCCCCCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000210614 [0,2,0,0,0,0|1,0,0]=3 16579 B17R1.54 CCCCCCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000210614 [0,2,0,0,0,0|1,0,0]=3 16580 B17R1.54 CCCCCCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210614 [0,2,0,0,0,0|1,0,0]=3 16581 B17R1.54 CCCCCCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000210614 [0,2,0,0,0,0|1,0,0]=3 16582 B17R1.54 CCCCCCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000210614 [0,2,0,0,0,0|1,0,0]=3 16583 B17R1.54 CCCCCCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000210614 [0,2,0,0,0,0|1,0,0]=3 16584 B17R1.54 CCCCCCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000210614 [0,2,0,0,0,0|1,0,0]=3 16585 B17R1.54 CCCCCCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000210614 [0,2,0,0,0,0|1,0,0]=3 16586 B17R1.54 CCCCCCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210614 [0,2,0,0,0,0|1,0,0]=3 16587 B17R1.54 CCCCCCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000210614 [0,2,0,0,0,0|1,0,0]=3 16588 B17R1.54 CCCCCCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000210614 [0,2,0,0,0,0|1,0,0]=3 16589 B17R1.54 CCCCCCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000210614 [0,2,0,0,0,0|1,0,0]=3 16590 B17R1.54 CCCCCCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000210614 [0,2,0,0,0,0|1,0,0]=3 16591 B17R1.54 CCCCCCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000210614 [0,2,0,0,0,0|1,0,0]=3 16592 B17R1.54 CCCCCCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210614 [0,2,0,0,0,0|1,0,0]=3 16593 B17R1.54 CCCCCCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000210614 [0,2,0,0,0,0|1,0,0]=3 16594 B17R1.54 CCCCCCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000210614 [0,2,0,0,0,0|1,0,0]=3 16595 B17R1.54 CCCCCCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000210614 [0,2,0,0,0,0|1,0,0]=3 16596 B17R1.54 CCCCCCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000210614 [0,2,0,0,0,0|1,0,0]=3 16597 B17R1.54 CCCCCCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210614 [0,2,0,0,0,0|1,0,0]=3 16598 B17R1.54 CCCCCCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000210614 [0,2,0,0,0,0|1,0,0]=3 16599 B17R1.54 CCCCCCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000210614 [0,2,0,0,0,0|1,0,0]=3 16600 B17R1.54 CCCCCCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000210614 [0,2,0,0,0,0|1,0,0]=3 16601 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Br 11a_100000210581_100012360534 [0,2,0,0,0,0|1,0,0]=3 16602 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Br 1626a_100000210581_100012360534 [0,2,0,0,0,0|1,0,0]=3 16603 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Br 240690a_100000210581_100012360534 [0,2,0,0,0,0|1,0,0]=3 16604 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Br 527a_100000210581_100012360534 [0,2,0,0,0,0|1,0,0]=3 16605 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)C 11a_100000210581_100000692419 [0,2,0,0,0,0|1,0,0]=3 16606 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)C 1626a_100000210581_100000692419 [0,2,0,0,0,0|1,0,0]=3 16607 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)C 240690a_100000210581_100000692419 [0,2,0,0,0,0|1,0,0]=3 16608 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)C 527a_100000210581_100000692419 [0,2,0,0,0,0|1,0,0]=3 16609 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Cl 11a_100000210581_100012339722 [0,2,0,0,0,0|1,0,0]=3 16610 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Cl 1626a_100000210581_100012339722 [0,2,0,0,0,0|1,0,0]=3 16611 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Cl 240690a_100000210581_100012339722 [0,2,0,0,0,0|1,0,0]=3 16612 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)Cl 527a_100000210581_100012339722 [0,2,0,0,0,0|1,0,0]=3 16613 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)F 11a_100000210581_100011217547 [0,2,0,0,0,0|1,0,0]=3 16614 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)F 1626a_100000210581_100011217547 [0,2,0,0,0,0|1,0,0]=3 16615 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)F 240690a_100000210581_100011217547 [0,2,0,0,0,0|1,0,0]=3 16616 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)F 527a_100000210581_100011217547 [0,2,0,0,0,0|1,0,0]=3 16617 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)I 11a_100000210581_100010232522 [0,2,0,0,0,0|1,0,0]=3 16618 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)I 1626a_100000210581_100010232522 [0,2,0,0,0,0|1,0,0]=3 16619 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)I 240690a_100000210581_100010232522 [0,2,0,0,0,0|1,0,0]=3 16620 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)I 527a_100000210581_100010232522 [0,2,0,0,0,0|1,0,0]=3 16621 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)O 240690a_100000210581_100010230362 [0,2,0,0,0,0|1,0,0]=3 16622 B17R1.54 CCCCCCNC(=O)c1cccc(c1Br)O 527a_100000210581_100010230362 [0,2,0,0,0,0|1,0,0]=3 16623 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Br 11a_100000210581_100000760464 [0,2,0,0,0,0|1,0,0]=3 16624 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Br 1626a_100000210581_100000760464 [0,2,0,0,0,0|1,0,0]=3 16625 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Br 240690a_100000210581_100000760464 [0,2,0,0,0,0|1,0,0]=3 16626 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Br 527a_100000210581_100000760464 [0,2,0,0,0,0|1,0,0]=3 16627 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)C 11a_100000210581_100000183679 [0,2,0,0,0,0|1,0,0]=3 16628 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)C 1626a_100000210581_100000183679 [0,2,0,0,0,0|1,0,0]=3 16629 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)C 240690a_100000210581_100000183679 [0,2,0,0,0,0|1,0,0]=3 16630 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)C 527a_100000210581_100000183679 [0,2,0,0,0,0|1,0,0]=3 16631 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Cl 11a_100000210581_100000690184 [0,2,0,0,0,0|1,0,0]=3 16632 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Cl 1626a_100000210581_100000690184 [0,2,0,0,0,0|1,0,0]=3 16633 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Cl 240690a_100000210581_100000690184 [0,2,0,0,0,0|1,0,0]=3 16634 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)Cl 527a_100000210581_100000690184 [0,2,0,0,0,0|1,0,0]=3 16635 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)F 11a_100000210581_100011218272 [0,2,0,0,0,0|1,0,0]=3 16636 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)F 1626a_100000210581_100011218272 [0,2,0,0,0,0|1,0,0]=3 16637 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)F 240690a_100000210581_100011218272 [0,2,0,0,0,0|1,0,0]=3 16638 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)F 527a_100000210581_100011218272 [0,2,0,0,0,0|1,0,0]=3 16639 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)I 11a_100000210581_100000751865 [0,2,0,0,0,0|1,0,0]=3 16640 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)I 1626a_100000210581_100000751865 [0,2,0,0,0,0|1,0,0]=3 16641 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)I 240690a_100000210581_100000751865 [0,2,0,0,0,0|1,0,0]=3 16642 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)I 527a_100000210581_100000751865 [0,2,0,0,0,0|1,0,0]=3 16643 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)O 240690a_100000210581_100000766327 [0,2,0,0,0,0|1,0,0]=3 16644 B17R1.54 CCCCCCNC(=O)c1cccc(c1C)O 527a_100000210581_100000766327 [0,2,0,0,0,0|1,0,0]=3 16645 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Br 11a_100000210581_100000760540 [0,2,0,0,0,0|1,0,0]=3 16646 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Br 1626a_100000210581_100000760540 [0,2,0,0,0,0|1,0,0]=3 16647 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Br 240690a_100000210581_100000760540 [0,2,0,0,0,0|1,0,0]=3 16648 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Br 527a_100000210581_100000760540 [0,2,0,0,0,0|1,0,0]=3 16649 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)C 11a_100000210581_100000693142 [0,2,0,0,0,0|1,0,0]=3 16650 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)C 1626a_100000210581_100000693142 [0,2,0,0,0,0|1,0,0]=3 16651 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)C 240690a_100000210581_100000693142 [0,2,0,0,0,0|1,0,0]=3 16652 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)C 527a_100000210581_100000693142 [0,2,0,0,0,0|1,0,0]=3 16653 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Cl 11a_100000210581_100000183631 [0,2,0,0,0,0|1,0,0]=3 16654 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Cl 1626a_100000210581_100000183631 [0,2,0,0,0,0|1,0,0]=3 16655 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Cl 240690a_100000210581_100000183631 [0,2,0,0,0,0|1,0,0]=3 16656 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)Cl 527a_100000210581_100000183631 [0,2,0,0,0,0|1,0,0]=3 16657 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)F 11a_100000210581_100000759904 [0,2,0,0,0,0|1,0,0]=3 16658 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)F 1626a_100000210581_100000759904 [0,2,0,0,0,0|1,0,0]=3 16659 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)F 240690a_100000210581_100000759904 [0,2,0,0,0,0|1,0,0]=3 16660 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)F 527a_100000210581_100000759904 [0,2,0,0,0,0|1,0,0]=3 16661 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)I 11a_100000210581_100010176783 [0,2,0,0,0,0|1,0,0]=3 16662 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)I 1626a_100000210581_100010176783 [0,2,0,0,0,0|1,0,0]=3 16663 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)I 240690a_100000210581_100010176783 [0,2,0,0,0,0|1,0,0]=3 16664 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)I 527a_100000210581_100010176783 [0,2,0,0,0,0|1,0,0]=3 16665 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)O 240690a_100000210581_100000092362 [0,2,0,0,0,0|1,0,0]=3 16666 B17R1.54 CCCCCCNC(=O)c1cccc(c1Cl)O 527a_100000210581_100000092362 [0,2,0,0,0,0|1,0,0]=3 16667 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Br 11a_100000210581_100000756403 [0,2,0,0,0,0|1,0,0]=3 16668 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Br 1626a_100000210581_100000756403 [0,2,0,0,0,0|1,0,0]=3 16669 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Br 240690a_100000210581_100000756403 [0,2,0,0,0,0|1,0,0]=3 16670 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Br 527a_100000210581_100000756403 [0,2,0,0,0,0|1,0,0]=3 16671 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)C 11a_100000210581_100000766181 [0,2,0,0,0,0|1,0,0]=3 16672 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)C 1626a_100000210581_100000766181 [0,2,0,0,0,0|1,0,0]=3 16673 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)C 240690a_100000210581_100000766181 [0,2,0,0,0,0|1,0,0]=3 16674 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)C 527a_100000210581_100000766181 [0,2,0,0,0,0|1,0,0]=3 16675 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Cl 11a_100000210581_100000688816 [0,2,0,0,0,0|1,0,0]=3 16676 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Cl 1626a_100000210581_100000688816 [0,2,0,0,0,0|1,0,0]=3 16677 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Cl 240690a_100000210581_100000688816 [0,2,0,0,0,0|1,0,0]=3 16678 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)Cl 527a_100000210581_100000688816 [0,2,0,0,0,0|1,0,0]=3 16679 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)F 11a_100000210581_100000748134 [0,2,0,0,0,0|1,0,0]=3 16680 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)F 1626a_100000210581_100000748134 [0,2,0,0,0,0|1,0,0]=3 16681 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)F 240690a_100000210581_100000748134 [0,2,0,0,0,0|1,0,0]=3 16682 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)F 527a_100000210581_100000748134 [0,2,0,0,0,0|1,0,0]=3 16683 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)I 11a_100000210581_100010185205 [0,2,0,0,0,0|1,0,0]=3 16684 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)I 1626a_100000210581_100010185205 [0,2,0,0,0,0|1,0,0]=3 16685 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)I 240690a_100000210581_100010185205 [0,2,0,0,0,0|1,0,0]=3 16686 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)I 527a_100000210581_100010185205 [0,2,0,0,0,0|1,0,0]=3 16687 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)O 240690a_100000210581_100000037433 [0,2,0,0,0,0|1,0,0]=3 16688 B17R1.54 CCCCCCNC(=O)c1cccc(c1F)O 527a_100000210581_100000037433 [0,2,0,0,0,0|1,0,0]=3 16689 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Br 11a_100000210581_100000688019 [0,2,0,0,0,0|1,0,0]=3 16690 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Br 1626a_100000210581_100000688019 [0,2,0,0,0,0|1,0,0]=3 16691 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Br 240690a_100000210581_100000688019 [0,2,0,0,0,0|1,0,0]=3 16692 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Br 527a_100000210581_100000688019 [0,2,0,0,0,0|1,0,0]=3 16693 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)C 11a_100000210581_100000739377 [0,2,0,0,0,0|1,0,0]=3 16694 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)C 1626a_100000210581_100000739377 [0,2,0,0,0,0|1,0,0]=3 16695 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)C 240690a_100000210581_100000739377 [0,2,0,0,0,0|1,0,0]=3 16696 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)C 527a_100000210581_100000739377 [0,2,0,0,0,0|1,0,0]=3 16697 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Cl 11a_100000210581_100010176784 [0,2,0,0,0,0|1,0,0]=3 16698 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Cl 1626a_100000210581_100010176784 [0,2,0,0,0,0|1,0,0]=3 16699 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Cl 240690a_100000210581_100010176784 [0,2,0,0,0,0|1,0,0]=3 16700 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)Cl 527a_100000210581_100010176784 [0,2,0,0,0,0|1,0,0]=3 16701 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)F 11a_100000210581_100000690930 [0,2,0,0,0,0|1,0,0]=3 16702 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)F 1626a_100000210581_100000690930 [0,2,0,0,0,0|1,0,0]=3 16703 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)F 240690a_100000210581_100000690930 [0,2,0,0,0,0|1,0,0]=3 16704 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)F 527a_100000210581_100000690930 [0,2,0,0,0,0|1,0,0]=3 16705 B17R1.54 CCCCCCNC(=O)c1cccc(c1I)O 527a_100000210581_100010084636 [0,2,0,0,0,0|1,0,0]=3 16706 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)Br 240690a_100000210581_100000752940 [0,2,0,0,0,0|1,0,0]=3 16707 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)Br 527a_100000210581_100000752940 [0,2,0,0,0,0|1,0,0]=3 16708 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)C 240690a_100000210581_100000183896 [0,2,0,0,0,0|1,0,0]=3 16709 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)C 527a_100000210581_100000183896 [0,2,0,0,0,0|1,0,0]=3 16710 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)Cl 240690a_100000210581_100000742801 [0,2,0,0,0,0|1,0,0]=3 16711 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)Cl 527a_100000210581_100000742801 [0,2,0,0,0,0|1,0,0]=3 16712 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)F 240690a_100000210581_100011217230 [0,2,0,0,0,0|1,0,0]=3 16713 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)F 527a_100000210581_100011217230 [0,2,0,0,0,0|1,0,0]=3 16714 B17R1.54 CCCCCCNC(=O)c1cccc(c1O)O 527a_100000210581_100000690420 [0,2,0,0,0,0|1,0,0]=3 16715 B17R1.54 CCCCCCOC(C)c1cccc(c1C)C 34a_100000210259_100012183177 [0,2,0,0,0,0|1,0,1]=4 16716 B17R1.54 CCCCCCOC(C)c1cccc(c1C)C 7a_100000210259_100012183177 [0,2,0,0,0,0|1,0,1]=4 16717 B17R1.54 CCCCCCOC(C)c1cccc(c1F)Br 34a_200012356376_100000210314 [0,2,0,0,0,0|1,0,1]=4 16718 B17R1.54 CCCCCCOC(C)c1cccc(c1F)Br 7a_200012356376_100000210314 [0,2,0,0,0,0|1,0,1]=4 16719 B17R1.54 CCCCCCOC(C)c1cccc(c1F)F 34a_100011944069_100000210314 [0,2,0,0,0,0|1,0,1]=4 16720 B17R1.54 CCCCCCOC(C)c1cccc(c1F)F 7a_100011944069_100000210314 [0,2,0,0,0,0|1,0,1]=4 16721 B17R1.54 CCCCCNCC(=O)c1cccc(c1F)Br 2230a_100000209983_100012356374 [0,2,0,0,0,0|2,0,0]=4 16722 B17R1.54 CCCCCNCC(=O)c1cccc(c1F)Cl 2230a_100000209983_200012351890 [0,2,0,0,0,0|2,0,0]=4 16723 B17R1.54 CCCCCNNC(=O)c1cccc(c1Br)Br 22a_100000694160_100012360534 [0,2,0,0,0,0|2,0,0]=4 16724 B17R1.54 CCCCCNNC(=O)c1cccc(c1Br)C 22a_100000694160_100000692419 [0,2,0,0,0,0|2,0,0]=4 16725 B17R1.54 CCCCCNNC(=O)c1cccc(c1Br)Cl 22a_100000694160_100012339722 [0,2,0,0,0,0|2,0,0]=4 16726 B17R1.54 CCCCCNNC(=O)c1cccc(c1Br)F 22a_100000694160_100011217547 [0,2,0,0,0,0|2,0,0]=4 16727 B17R1.54 CCCCCNNC(=O)c1cccc(c1Br)I 22a_100000694160_100010232522 [0,2,0,0,0,0|2,0,0]=4 16728 B17R1.54 CCCCCNNC(=O)c1cccc(c1Br)O 22a_100000694160_100010230362 [0,2,0,0,0,0|2,0,0]=4 16729 B17R1.54 CCCCCNNC(=O)c1cccc(c1C)Br 22a_100000694160_100000760464 [0,2,0,0,0,0|2,0,0]=4 16730 B17R1.54 CCCCCNNC(=O)c1cccc(c1C)C 22a_100000694160_100000183679 [0,2,0,0,0,0|2,0,0]=4 16731 B17R1.54 CCCCCNNC(=O)c1cccc(c1C)Cl 22a_100000694160_100000690184 [0,2,0,0,0,0|2,0,0]=4 16732 B17R1.54 CCCCCNNC(=O)c1cccc(c1C)F 22a_100000694160_100011218272 [0,2,0,0,0,0|2,0,0]=4 16733 B17R1.54 CCCCCNNC(=O)c1cccc(c1C)I 22a_100000694160_100000751865 [0,2,0,0,0,0|2,0,0]=4 16734 B17R1.54 CCCCCNNC(=O)c1cccc(c1C)O 22a_100000694160_100000766327 [0,2,0,0,0,0|2,0,0]=4 16735 B17R1.54 CCCCCNNC(=O)c1cccc(c1Cl)Br 22a_100000694160_100000760540 [0,2,0,0,0,0|2,0,0]=4 16736 B17R1.54 CCCCCNNC(=O)c1cccc(c1Cl)C 22a_100000694160_100000693142 [0,2,0,0,0,0|2,0,0]=4 16737 B17R1.54 CCCCCNNC(=O)c1cccc(c1Cl)Cl 22a_100000694160_100000183631 [0,2,0,0,0,0|2,0,0]=4 16738 B17R1.54 CCCCCNNC(=O)c1cccc(c1Cl)F 22a_100000694160_100000759904 [0,2,0,0,0,0|2,0,0]=4 16739 B17R1.54 CCCCCNNC(=O)c1cccc(c1Cl)I 22a_100000694160_100010176783 [0,2,0,0,0,0|2,0,0]=4 16740 B17R1.54 CCCCCNNC(=O)c1cccc(c1Cl)O 22a_100000694160_100000092362 [0,2,0,0,0,0|2,0,0]=4 16741 B17R1.54 CCCCCNNC(=O)c1cccc(c1F)Br 22a_100000694160_100000756403 [0,2,0,0,0,0|2,0,0]=4 16742 B17R1.54 CCCCCNNC(=O)c1cccc(c1F)C 22a_100000694160_100000766181 [0,2,0,0,0,0|2,0,0]=4 16743 B17R1.54 CCCCCNNC(=O)c1cccc(c1F)Cl 22a_100000694160_100000688816 [0,2,0,0,0,0|2,0,0]=4 16744 B17R1.54 CCCCCNNC(=O)c1cccc(c1F)F 22a_100000694160_100000748134 [0,2,0,0,0,0|2,0,0]=4 16745 B17R1.54 CCCCCNNC(=O)c1cccc(c1F)I 22a_100000694160_100010185205 [0,2,0,0,0,0|2,0,0]=4 16746 B17R1.54 CCCCCNNC(=O)c1cccc(c1F)O 22a_100000694160_100000037433 [0,2,0,0,0,0|2,0,0]=4 16747 B17R1.54 CCCCCNNC(=O)c1cccc(c1I)Br 22a_100000694160_100000688019 [0,2,0,0,0,0|2,0,0]=4 16748 B17R1.54 CCCCCNNC(=O)c1cccc(c1I)C 22a_100000694160_100000739377 [0,2,0,0,0,0|2,0,0]=4 16749 B17R1.54 CCCCCNNC(=O)c1cccc(c1I)Cl 22a_100000694160_100010176784 [0,2,0,0,0,0|2,0,0]=4 16750 B17R1.54 CCCCCNNC(=O)c1cccc(c1I)F 22a_100000694160_100000690930 [0,2,0,0,0,0|2,0,0]=4 16751 B17R1.54 CCCCCNNC(=O)c1cccc(c1I)O 22a_100000694160_100010084636 [0,2,0,0,0,0|2,0,0]=4 16752 B17R1.54 CCCCCNNC(=O)c1cccc(c1O)Br 22a_100000694160_100000752940 [0,2,0,0,0,0|2,0,0]=4 16753 B17R1.54 CCCCCNNC(=O)c1cccc(c1O)C 22a_100000694160_100000183896 [0,2,0,0,0,0|2,0,0]=4 16754 B17R1.54 CCCCCNNC(=O)c1cccc(c1O)Cl 22a_100000694160_100000742801 [0,2,0,0,0,0|2,0,0]=4 16755 B17R1.54 CCCCCNNC(=O)c1cccc(c1O)F 22a_100000694160_100011217230 [0,2,0,0,0,0|2,0,0]=4 16756 B17R1.54 CCCCCNNC(=O)c1cccc(c1O)O 22a_100000694160_100000690420 [0,2,0,0,0,0|2,0,0]=4 16757 B17R1.54 CCCCCOCC(=O)c1cccc(c1C)I 34a_100000210253_100160470822 [0,2,0,0,0,0|2,0,0]=4 16758 B17R1.54 CCCCCOCC(=O)c1cccc(c1C)I 7a_100000210253_100160470822 [0,2,0,0,0,0|2,0,0]=4 16759 B17R1.54 CCCCCOCC(=O)c1cccc(c1F)Br 34a_100000210253_100012356374 [0,2,0,0,0,0|2,0,0]=4 16760 B17R1.54 CCCCCOCC(=O)c1cccc(c1F)Br 7a_100000210253_100012356374 [0,2,0,0,0,0|2,0,0]=4 16761 B17R1.54 CCCCCOCC(=O)c1cccc(c1F)Cl 34a_100000210253_200012351890 [0,2,0,0,0,0|2,0,0]=4 16762 B17R1.54 CCCCCOCC(=O)c1cccc(c1F)Cl 7a_100000210253_200012351890 [0,2,0,0,0,0|2,0,0]=4 16763 B17R1.54 CCCCCSCC(=O)c1cccc(c1C)I 62a_100000210326_100160470822 [0,2,0,0,0,0|2,0,0]=4 16764 B17R1.54 CCCCCSCC(=O)c1cccc(c1C)I 62a_100160470822_100000210326 [0,2,0,0,0,0|2,0,0]=4 16765 B17R1.54 CCCCCSCC(=O)c1cccc(c1F)Br 62a_100000210326_100012356374 [0,2,0,0,0,0|2,0,0]=4 16766 B17R1.54 CCCCCSCC(=O)c1cccc(c1F)Br 62a_100012356374_100000210326 [0,2,0,0,0,0|2,0,0]=4 16767 B17R1.54 CCCCCSCC(=O)c1cccc(c1F)Cl 62a_100000210326_200012351890 [0,2,0,0,0,0|2,0,0]=4 16768 B17R1.54 CCCCCSCC(=O)c1cccc(c1F)Cl 62a_200012351890_100000210326 [0,2,0,0,0,0|2,0,0]=4 16769 B17R1.54 CCCCOCCC(=O)c1cccc(c1Br)Br 1458a_100012360534_100000743108 [0,2,0,0,0,0|2,0,0]=4 16770 B17R1.54 CCCCOCCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000743108 [0,2,0,0,0,0|2,0,0]=4 16771 B17R1.54 CCCCOCCC(=O)c1cccc(c1Br)Cl 1458a_100012339722_100000743108 [0,2,0,0,0,0|2,0,0]=4 16772 B17R1.54 CCCCOCCC(=O)c1cccc(c1Br)F 1458a_100011217547_100000743108 [0,2,0,0,0,0|2,0,0]=4 16773 B17R1.54 CCCCOCCC(=O)c1cccc(c1Br)I 1458a_100010232522_100000743108 [0,2,0,0,0,0|2,0,0]=4 16774 B17R1.54 CCCCOCCC(=O)c1cccc(c1Br)O 1458a_100010230362_100000743108 [0,2,0,0,0,0|2,0,0]=4 16775 B17R1.54 CCCCOCCC(=O)c1cccc(c1C)Br 1458a_100000760464_100000743108 [0,2,0,0,0,0|2,0,0]=4 16776 B17R1.54 CCCCOCCC(=O)c1cccc(c1C)C 1458a_100000183679_100000743108 [0,2,0,0,0,0|2,0,0]=4 16777 B17R1.54 CCCCOCCC(=O)c1cccc(c1C)Cl 1458a_100000690184_100000743108 [0,2,0,0,0,0|2,0,0]=4 16778 B17R1.54 CCCCOCCC(=O)c1cccc(c1C)F 1458a_100011218272_100000743108 [0,2,0,0,0,0|2,0,0]=4 16779 B17R1.54 CCCCOCCC(=O)c1cccc(c1C)I 1458a_100000751865_100000743108 [0,2,0,0,0,0|2,0,0]=4 16780 B17R1.54 CCCCOCCC(=O)c1cccc(c1C)O 1458a_100000766327_100000743108 [0,2,0,0,0,0|2,0,0]=4 16781 B17R1.54 CCCCOCCC(=O)c1cccc(c1Cl)Br 1458a_100000760540_100000743108 [0,2,0,0,0,0|2,0,0]=4 16782 B17R1.54 CCCCOCCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000743108 [0,2,0,0,0,0|2,0,0]=4 16783 B17R1.54 CCCCOCCC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_100000743108 [0,2,0,0,0,0|2,0,0]=4 16784 B17R1.54 CCCCOCCC(=O)c1cccc(c1Cl)F 1458a_100000759904_100000743108 [0,2,0,0,0,0|2,0,0]=4 16785 B17R1.54 CCCCOCCC(=O)c1cccc(c1Cl)I 1458a_100010176783_100000743108 [0,2,0,0,0,0|2,0,0]=4 16786 B17R1.54 CCCCOCCC(=O)c1cccc(c1Cl)O 1458a_100000092362_100000743108 [0,2,0,0,0,0|2,0,0]=4 16787 B17R1.54 CCCCOCCC(=O)c1cccc(c1F)Br 1458a_100000756403_100000743108 [0,2,0,0,0,0|2,0,0]=4 16788 B17R1.54 CCCCOCCC(=O)c1cccc(c1F)C 1458a_100000766181_100000743108 [0,2,0,0,0,0|2,0,0]=4 16789 B17R1.54 CCCCOCCC(=O)c1cccc(c1F)Cl 1458a_100000688816_100000743108 [0,2,0,0,0,0|2,0,0]=4 16790 B17R1.54 CCCCOCCC(=O)c1cccc(c1F)F 1458a_100000748134_100000743108 [0,2,0,0,0,0|2,0,0]=4 16791 B17R1.54 CCCCOCCC(=O)c1cccc(c1F)I 1458a_100010185205_100000743108 [0,2,0,0,0,0|2,0,0]=4 16792 B17R1.54 CCCCOCCC(=O)c1cccc(c1F)O 1458a_100000037433_100000743108 [0,2,0,0,0,0|2,0,0]=4 16793 B17R1.54 CCCCOCCC(=O)c1cccc(c1I)Br 1458a_100000688019_100000743108 [0,2,0,0,0,0|2,0,0]=4 16794 B17R1.54 CCCCOCCC(=O)c1cccc(c1I)C 1458a_100000739377_100000743108 [0,2,0,0,0,0|2,0,0]=4 16795 B17R1.54 CCCCOCCC(=O)c1cccc(c1I)Cl 1458a_100010176784_100000743108 [0,2,0,0,0,0|2,0,0]=4 16796 B17R1.54 CCCCOCCC(=O)c1cccc(c1I)F 1458a_100000690930_100000743108 [0,2,0,0,0,0|2,0,0]=4 16797 B17R1.54 CCCCOCCC(=O)c1cccc(c1I)O 1458a_100010084636_100000743108 [0,2,0,0,0,0|2,0,0]=4 16798 B17R1.54 CCCCOCCC(=O)c1cccc(c1O)Br 1458a_100000752940_100000743108 [0,2,0,0,0,0|2,0,0]=4 16799 B17R1.54 CCCCOCCC(=O)c1cccc(c1O)C 1458a_100000183896_100000743108 [0,2,0,0,0,0|2,0,0]=4 16800 B17R1.54 CCCCOCCC(=O)c1cccc(c1O)Cl 1458a_100000742801_100000743108 [0,2,0,0,0,0|2,0,0]=4 16801 B17R1.54 CCCCOCCC(=O)c1cccc(c1O)F 1458a_100011217230_100000743108 [0,2,0,0,0,0|2,0,0]=4 16802 B17R1.54 CCCCOCCC(=O)c1cccc(c1O)O 1458a_100000690420_100000743108 [0,2,0,0,0,0|2,0,0]=4 16803 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)Br 1626a_100161115042_100012360534 [0,2,0,0,0,0|2,0,0]=4 16804 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)Br 240690a_100161115042_100012360534 [0,2,0,0,0,0|2,0,0]=4 16805 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)Br 527a_100161115042_100012360534 [0,2,0,0,0,0|2,0,0]=4 16806 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)C 1626a_100161115042_100000692419 [0,2,0,0,0,0|2,0,0]=4 16807 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)C 240690a_100161115042_100000692419 [0,2,0,0,0,0|2,0,0]=4 16808 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)C 527a_100161115042_100000692419 [0,2,0,0,0,0|2,0,0]=4 16809 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)Cl 1626a_100161115042_100012339722 [0,2,0,0,0,0|2,0,0]=4 16810 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)Cl 240690a_100161115042_100012339722 [0,2,0,0,0,0|2,0,0]=4 16811 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)Cl 527a_100161115042_100012339722 [0,2,0,0,0,0|2,0,0]=4 16812 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)F 1626a_100161115042_100011217547 [0,2,0,0,0,0|2,0,0]=4 16813 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)F 240690a_100161115042_100011217547 [0,2,0,0,0,0|2,0,0]=4 16814 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)F 527a_100161115042_100011217547 [0,2,0,0,0,0|2,0,0]=4 16815 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)I 1626a_100161115042_100010232522 [0,2,0,0,0,0|2,0,0]=4 16816 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)I 240690a_100161115042_100010232522 [0,2,0,0,0,0|2,0,0]=4 16817 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)I 527a_100161115042_100010232522 [0,2,0,0,0,0|2,0,0]=4 16818 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)O 240690a_100161115042_100010230362 [0,2,0,0,0,0|2,0,0]=4 16819 B17R1.54 CCCOCCNC(=O)c1cccc(c1Br)O 527a_100161115042_100010230362 [0,2,0,0,0,0|2,0,0]=4 16820 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)Br 1626a_100161115042_100000760464 [0,2,0,0,0,0|2,0,0]=4 16821 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)Br 240690a_100161115042_100000760464 [0,2,0,0,0,0|2,0,0]=4 16822 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)Br 527a_100161115042_100000760464 [0,2,0,0,0,0|2,0,0]=4 16823 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)C 1626a_100161115042_100000183679 [0,2,0,0,0,0|2,0,0]=4 16824 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)C 240690a_100161115042_100000183679 [0,2,0,0,0,0|2,0,0]=4 16825 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)C 527a_100161115042_100000183679 [0,2,0,0,0,0|2,0,0]=4 16826 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)Cl 1626a_100161115042_100000690184 [0,2,0,0,0,0|2,0,0]=4 16827 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)Cl 240690a_100161115042_100000690184 [0,2,0,0,0,0|2,0,0]=4 16828 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)Cl 527a_100161115042_100000690184 [0,2,0,0,0,0|2,0,0]=4 16829 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)F 1626a_100161115042_100011218272 [0,2,0,0,0,0|2,0,0]=4 16830 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)F 240690a_100161115042_100011218272 [0,2,0,0,0,0|2,0,0]=4 16831 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)F 527a_100161115042_100011218272 [0,2,0,0,0,0|2,0,0]=4 16832 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)I 1626a_100161115042_100000751865 [0,2,0,0,0,0|2,0,0]=4 16833 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)I 240690a_100161115042_100000751865 [0,2,0,0,0,0|2,0,0]=4 16834 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)I 527a_100161115042_100000751865 [0,2,0,0,0,0|2,0,0]=4 16835 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)O 240690a_100161115042_100000766327 [0,2,0,0,0,0|2,0,0]=4 16836 B17R1.54 CCCOCCNC(=O)c1cccc(c1C)O 527a_100161115042_100000766327 [0,2,0,0,0,0|2,0,0]=4 16837 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)Br 1626a_100161115042_100000760540 [0,2,0,0,0,0|2,0,0]=4 16838 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)Br 240690a_100161115042_100000760540 [0,2,0,0,0,0|2,0,0]=4 16839 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)Br 527a_100161115042_100000760540 [0,2,0,0,0,0|2,0,0]=4 16840 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)C 1626a_100161115042_100000693142 [0,2,0,0,0,0|2,0,0]=4 16841 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)C 240690a_100161115042_100000693142 [0,2,0,0,0,0|2,0,0]=4 16842 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)C 527a_100161115042_100000693142 [0,2,0,0,0,0|2,0,0]=4 16843 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)Cl 1626a_100161115042_100000183631 [0,2,0,0,0,0|2,0,0]=4 16844 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)Cl 240690a_100161115042_100000183631 [0,2,0,0,0,0|2,0,0]=4 16845 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)Cl 527a_100161115042_100000183631 [0,2,0,0,0,0|2,0,0]=4 16846 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)F 1626a_100161115042_100000759904 [0,2,0,0,0,0|2,0,0]=4 16847 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)F 240690a_100161115042_100000759904 [0,2,0,0,0,0|2,0,0]=4 16848 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)F 527a_100161115042_100000759904 [0,2,0,0,0,0|2,0,0]=4 16849 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)I 1626a_100161115042_100010176783 [0,2,0,0,0,0|2,0,0]=4 16850 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)I 240690a_100161115042_100010176783 [0,2,0,0,0,0|2,0,0]=4 16851 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)I 527a_100161115042_100010176783 [0,2,0,0,0,0|2,0,0]=4 16852 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)O 240690a_100161115042_100000092362 [0,2,0,0,0,0|2,0,0]=4 16853 B17R1.54 CCCOCCNC(=O)c1cccc(c1Cl)O 527a_100161115042_100000092362 [0,2,0,0,0,0|2,0,0]=4 16854 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)Br 1626a_100161115042_100000756403 [0,2,0,0,0,0|2,0,0]=4 16855 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)Br 240690a_100161115042_100000756403 [0,2,0,0,0,0|2,0,0]=4 16856 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)Br 527a_100161115042_100000756403 [0,2,0,0,0,0|2,0,0]=4 16857 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)C 1626a_100161115042_100000766181 [0,2,0,0,0,0|2,0,0]=4 16858 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)C 240690a_100161115042_100000766181 [0,2,0,0,0,0|2,0,0]=4 16859 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)C 527a_100161115042_100000766181 [0,2,0,0,0,0|2,0,0]=4 16860 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)Cl 1626a_100161115042_100000688816 [0,2,0,0,0,0|2,0,0]=4 16861 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)Cl 240690a_100161115042_100000688816 [0,2,0,0,0,0|2,0,0]=4 16862 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)Cl 527a_100161115042_100000688816 [0,2,0,0,0,0|2,0,0]=4 16863 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)F 1626a_100161115042_100000748134 [0,2,0,0,0,0|2,0,0]=4 16864 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)F 240690a_100161115042_100000748134 [0,2,0,0,0,0|2,0,0]=4 16865 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)F 527a_100161115042_100000748134 [0,2,0,0,0,0|2,0,0]=4 16866 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)I 1626a_100161115042_100010185205 [0,2,0,0,0,0|2,0,0]=4 16867 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)I 240690a_100161115042_100010185205 [0,2,0,0,0,0|2,0,0]=4 16868 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)I 527a_100161115042_100010185205 [0,2,0,0,0,0|2,0,0]=4 16869 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)O 240690a_100161115042_100000037433 [0,2,0,0,0,0|2,0,0]=4 16870 B17R1.54 CCCOCCNC(=O)c1cccc(c1F)O 527a_100161115042_100000037433 [0,2,0,0,0,0|2,0,0]=4 16871 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)Br 1626a_100161115042_100000688019 [0,2,0,0,0,0|2,0,0]=4 16872 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)Br 240690a_100161115042_100000688019 [0,2,0,0,0,0|2,0,0]=4 16873 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)Br 527a_100161115042_100000688019 [0,2,0,0,0,0|2,0,0]=4 16874 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)C 1626a_100161115042_100000739377 [0,2,0,0,0,0|2,0,0]=4 16875 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)C 240690a_100161115042_100000739377 [0,2,0,0,0,0|2,0,0]=4 16876 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)C 527a_100161115042_100000739377 [0,2,0,0,0,0|2,0,0]=4 16877 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)Cl 1626a_100161115042_100010176784 [0,2,0,0,0,0|2,0,0]=4 16878 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)Cl 240690a_100161115042_100010176784 [0,2,0,0,0,0|2,0,0]=4 16879 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)Cl 527a_100161115042_100010176784 [0,2,0,0,0,0|2,0,0]=4 16880 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)F 1626a_100161115042_100000690930 [0,2,0,0,0,0|2,0,0]=4 16881 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)F 240690a_100161115042_100000690930 [0,2,0,0,0,0|2,0,0]=4 16882 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)F 527a_100161115042_100000690930 [0,2,0,0,0,0|2,0,0]=4 16883 B17R1.54 CCCOCCNC(=O)c1cccc(c1I)O 527a_100161115042_100010084636 [0,2,0,0,0,0|2,0,0]=4 16884 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)Br 240690a_100161115042_100000752940 [0,2,0,0,0,0|2,0,0]=4 16885 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)Br 527a_100161115042_100000752940 [0,2,0,0,0,0|2,0,0]=4 16886 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)C 240690a_100161115042_100000183896 [0,2,0,0,0,0|2,0,0]=4 16887 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)C 527a_100161115042_100000183896 [0,2,0,0,0,0|2,0,0]=4 16888 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)Cl 240690a_100161115042_100000742801 [0,2,0,0,0,0|2,0,0]=4 16889 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)Cl 527a_100161115042_100000742801 [0,2,0,0,0,0|2,0,0]=4 16890 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)F 240690a_100161115042_100011217230 [0,2,0,0,0,0|2,0,0]=4 16891 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)F 527a_100161115042_100011217230 [0,2,0,0,0,0|2,0,0]=4 16892 B17R1.54 CCCOCCNC(=O)c1cccc(c1O)O 527a_100161115042_100000690420 [0,2,0,0,0,0|2,0,0]=4 16893 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)Br 11a_100020603323_100012360534 [0,2,0,0,0,0|2,0,0]=4 16894 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)Br 240690a_100020603323_100012360534 [0,2,0,0,0,0|2,0,0]=4 16895 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)Br 527a_100020603323_100012360534 [0,2,0,0,0,0|2,0,0]=4 16896 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)C 11a_100020603323_100000692419 [0,2,0,0,0,0|2,0,0]=4 16897 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)C 240690a_100020603323_100000692419 [0,2,0,0,0,0|2,0,0]=4 16898 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)C 527a_100020603323_100000692419 [0,2,0,0,0,0|2,0,0]=4 16899 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)Cl 11a_100020603323_100012339722 [0,2,0,0,0,0|2,0,0]=4 16900 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)Cl 240690a_100020603323_100012339722 [0,2,0,0,0,0|2,0,0]=4 16901 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)Cl 527a_100020603323_100012339722 [0,2,0,0,0,0|2,0,0]=4 16902 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)F 11a_100020603323_100011217547 [0,2,0,0,0,0|2,0,0]=4 16903 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)F 240690a_100020603323_100011217547 [0,2,0,0,0,0|2,0,0]=4 16904 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)F 527a_100020603323_100011217547 [0,2,0,0,0,0|2,0,0]=4 16905 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)I 11a_100020603323_100010232522 [0,2,0,0,0,0|2,0,0]=4 16906 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)I 240690a_100020603323_100010232522 [0,2,0,0,0,0|2,0,0]=4 16907 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)I 527a_100020603323_100010232522 [0,2,0,0,0,0|2,0,0]=4 16908 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)O 240690a_100020603323_100010230362 [0,2,0,0,0,0|2,0,0]=4 16909 B17R1.54 CCCSCCNC(=O)c1cccc(c1Br)O 527a_100020603323_100010230362 [0,2,0,0,0,0|2,0,0]=4 16910 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)Br 11a_100020603323_100000760464 [0,2,0,0,0,0|2,0,0]=4 16911 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)Br 240690a_100020603323_100000760464 [0,2,0,0,0,0|2,0,0]=4 16912 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)Br 527a_100020603323_100000760464 [0,2,0,0,0,0|2,0,0]=4 16913 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)C 11a_100020603323_100000183679 [0,2,0,0,0,0|2,0,0]=4 16914 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)C 240690a_100020603323_100000183679 [0,2,0,0,0,0|2,0,0]=4 16915 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)C 527a_100020603323_100000183679 [0,2,0,0,0,0|2,0,0]=4 16916 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)Cl 11a_100020603323_100000690184 [0,2,0,0,0,0|2,0,0]=4 16917 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)Cl 240690a_100020603323_100000690184 [0,2,0,0,0,0|2,0,0]=4 16918 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)Cl 527a_100020603323_100000690184 [0,2,0,0,0,0|2,0,0]=4 16919 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)F 11a_100020603323_100011218272 [0,2,0,0,0,0|2,0,0]=4 16920 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)F 240690a_100020603323_100011218272 [0,2,0,0,0,0|2,0,0]=4 16921 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)F 527a_100020603323_100011218272 [0,2,0,0,0,0|2,0,0]=4 16922 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)I 11a_100020603323_100000751865 [0,2,0,0,0,0|2,0,0]=4 16923 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)I 240690a_100020603323_100000751865 [0,2,0,0,0,0|2,0,0]=4 16924 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)I 527a_100020603323_100000751865 [0,2,0,0,0,0|2,0,0]=4 16925 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)O 240690a_100020603323_100000766327 [0,2,0,0,0,0|2,0,0]=4 16926 B17R1.54 CCCSCCNC(=O)c1cccc(c1C)O 527a_100020603323_100000766327 [0,2,0,0,0,0|2,0,0]=4 16927 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)Br 11a_100020603323_100000760540 [0,2,0,0,0,0|2,0,0]=4 16928 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)Br 240690a_100020603323_100000760540 [0,2,0,0,0,0|2,0,0]=4 16929 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)Br 527a_100020603323_100000760540 [0,2,0,0,0,0|2,0,0]=4 16930 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)C 11a_100020603323_100000693142 [0,2,0,0,0,0|2,0,0]=4 16931 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)C 240690a_100020603323_100000693142 [0,2,0,0,0,0|2,0,0]=4 16932 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)C 527a_100020603323_100000693142 [0,2,0,0,0,0|2,0,0]=4 16933 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)Cl 11a_100020603323_100000183631 [0,2,0,0,0,0|2,0,0]=4 16934 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)Cl 240690a_100020603323_100000183631 [0,2,0,0,0,0|2,0,0]=4 16935 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)Cl 527a_100020603323_100000183631 [0,2,0,0,0,0|2,0,0]=4 16936 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)F 11a_100020603323_100000759904 [0,2,0,0,0,0|2,0,0]=4 16937 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)F 240690a_100020603323_100000759904 [0,2,0,0,0,0|2,0,0]=4 16938 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)F 527a_100020603323_100000759904 [0,2,0,0,0,0|2,0,0]=4 16939 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)I 11a_100020603323_100010176783 [0,2,0,0,0,0|2,0,0]=4 16940 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)I 240690a_100020603323_100010176783 [0,2,0,0,0,0|2,0,0]=4 16941 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)I 527a_100020603323_100010176783 [0,2,0,0,0,0|2,0,0]=4 16942 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)O 240690a_100020603323_100000092362 [0,2,0,0,0,0|2,0,0]=4 16943 B17R1.54 CCCSCCNC(=O)c1cccc(c1Cl)O 527a_100020603323_100000092362 [0,2,0,0,0,0|2,0,0]=4 16944 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)Br 11a_100020603323_100000756403 [0,2,0,0,0,0|2,0,0]=4 16945 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)Br 240690a_100020603323_100000756403 [0,2,0,0,0,0|2,0,0]=4 16946 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)Br 527a_100020603323_100000756403 [0,2,0,0,0,0|2,0,0]=4 16947 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)C 11a_100020603323_100000766181 [0,2,0,0,0,0|2,0,0]=4 16948 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)C 240690a_100020603323_100000766181 [0,2,0,0,0,0|2,0,0]=4 16949 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)C 527a_100020603323_100000766181 [0,2,0,0,0,0|2,0,0]=4 16950 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)Cl 11a_100020603323_100000688816 [0,2,0,0,0,0|2,0,0]=4 16951 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)Cl 240690a_100020603323_100000688816 [0,2,0,0,0,0|2,0,0]=4 16952 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)Cl 527a_100020603323_100000688816 [0,2,0,0,0,0|2,0,0]=4 16953 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)F 11a_100020603323_100000748134 [0,2,0,0,0,0|2,0,0]=4 16954 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)F 240690a_100020603323_100000748134 [0,2,0,0,0,0|2,0,0]=4 16955 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)F 527a_100020603323_100000748134 [0,2,0,0,0,0|2,0,0]=4 16956 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)I 11a_100020603323_100010185205 [0,2,0,0,0,0|2,0,0]=4 16957 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)I 240690a_100020603323_100010185205 [0,2,0,0,0,0|2,0,0]=4 16958 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)I 527a_100020603323_100010185205 [0,2,0,0,0,0|2,0,0]=4 16959 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)O 240690a_100020603323_100000037433 [0,2,0,0,0,0|2,0,0]=4 16960 B17R1.54 CCCSCCNC(=O)c1cccc(c1F)O 527a_100020603323_100000037433 [0,2,0,0,0,0|2,0,0]=4 16961 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)Br 11a_100020603323_100000688019 [0,2,0,0,0,0|2,0,0]=4 16962 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)Br 240690a_100020603323_100000688019 [0,2,0,0,0,0|2,0,0]=4 16963 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)Br 527a_100020603323_100000688019 [0,2,0,0,0,0|2,0,0]=4 16964 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)C 11a_100020603323_100000739377 [0,2,0,0,0,0|2,0,0]=4 16965 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)C 240690a_100020603323_100000739377 [0,2,0,0,0,0|2,0,0]=4 16966 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)C 527a_100020603323_100000739377 [0,2,0,0,0,0|2,0,0]=4 16967 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)Cl 11a_100020603323_100010176784 [0,2,0,0,0,0|2,0,0]=4 16968 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)Cl 240690a_100020603323_100010176784 [0,2,0,0,0,0|2,0,0]=4 16969 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)Cl 527a_100020603323_100010176784 [0,2,0,0,0,0|2,0,0]=4 16970 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)F 11a_100020603323_100000690930 [0,2,0,0,0,0|2,0,0]=4 16971 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)F 240690a_100020603323_100000690930 [0,2,0,0,0,0|2,0,0]=4 16972 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)F 527a_100020603323_100000690930 [0,2,0,0,0,0|2,0,0]=4 16973 B17R1.54 CCCSCCNC(=O)c1cccc(c1I)O 527a_100020603323_100010084636 [0,2,0,0,0,0|2,0,0]=4 16974 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)Br 240690a_100020603323_100000752940 [0,2,0,0,0,0|2,0,0]=4 16975 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)Br 527a_100020603323_100000752940 [0,2,0,0,0,0|2,0,0]=4 16976 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)C 240690a_100020603323_100000183896 [0,2,0,0,0,0|2,0,0]=4 16977 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)C 527a_100020603323_100000183896 [0,2,0,0,0,0|2,0,0]=4 16978 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)Cl 240690a_100020603323_100000742801 [0,2,0,0,0,0|2,0,0]=4 16979 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)Cl 527a_100020603323_100000742801 [0,2,0,0,0,0|2,0,0]=4 16980 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)F 240690a_100020603323_100011217230 [0,2,0,0,0,0|2,0,0]=4 16981 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)F 527a_100020603323_100011217230 [0,2,0,0,0,0|2,0,0]=4 16982 B17R1.54 CCCSCCNC(=O)c1cccc(c1O)O 527a_100020603323_100000690420 [0,2,0,0,0,0|2,0,0]=4 16983 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Br 11a_100000210961_100012360534 [0,2,0,0,0,0|2,0,0]=4 16984 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Br 1626a_100000210961_100012360534 [0,2,0,0,0,0|2,0,0]=4 16985 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Br 240690a_100000210961_100012360534 [0,2,0,0,0,0|2,0,0]=4 16986 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Br 527a_100000210961_100012360534 [0,2,0,0,0,0|2,0,0]=4 16987 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)C 11a_100000210961_100000692419 [0,2,0,0,0,0|2,0,0]=4 16988 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)C 1626a_100000210961_100000692419 [0,2,0,0,0,0|2,0,0]=4 16989 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)C 240690a_100000210961_100000692419 [0,2,0,0,0,0|2,0,0]=4 16990 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)C 527a_100000210961_100000692419 [0,2,0,0,0,0|2,0,0]=4 16991 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Cl 11a_100000210961_100012339722 [0,2,0,0,0,0|2,0,0]=4 16992 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Cl 1626a_100000210961_100012339722 [0,2,0,0,0,0|2,0,0]=4 16993 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Cl 240690a_100000210961_100012339722 [0,2,0,0,0,0|2,0,0]=4 16994 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)Cl 527a_100000210961_100012339722 [0,2,0,0,0,0|2,0,0]=4 16995 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)F 11a_100000210961_100011217547 [0,2,0,0,0,0|2,0,0]=4 16996 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)F 1626a_100000210961_100011217547 [0,2,0,0,0,0|2,0,0]=4 16997 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)F 240690a_100000210961_100011217547 [0,2,0,0,0,0|2,0,0]=4 16998 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)F 527a_100000210961_100011217547 [0,2,0,0,0,0|2,0,0]=4 16999 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)I 11a_100000210961_100010232522 [0,2,0,0,0,0|2,0,0]=4 17000 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)I 1626a_100000210961_100010232522 [0,2,0,0,0,0|2,0,0]=4 17001 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)I 240690a_100000210961_100010232522 [0,2,0,0,0,0|2,0,0]=4 17002 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)I 527a_100000210961_100010232522 [0,2,0,0,0,0|2,0,0]=4 17003 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)O 240690a_100000210961_100010230362 [0,2,0,0,0,0|2,0,0]=4 17004 B17R1.54 CCOCCCNC(=O)c1cccc(c1Br)O 527a_100000210961_100010230362 [0,2,0,0,0,0|2,0,0]=4 17005 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Br 11a_100000210961_100000760464 [0,2,0,0,0,0|2,0,0]=4 17006 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Br 1626a_100000210961_100000760464 [0,2,0,0,0,0|2,0,0]=4 17007 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Br 240690a_100000210961_100000760464 [0,2,0,0,0,0|2,0,0]=4 17008 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Br 527a_100000210961_100000760464 [0,2,0,0,0,0|2,0,0]=4 17009 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)C 11a_100000210961_100000183679 [0,2,0,0,0,0|2,0,0]=4 17010 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)C 1626a_100000210961_100000183679 [0,2,0,0,0,0|2,0,0]=4 17011 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)C 240690a_100000210961_100000183679 [0,2,0,0,0,0|2,0,0]=4 17012 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)C 527a_100000210961_100000183679 [0,2,0,0,0,0|2,0,0]=4 17013 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Cl 11a_100000210961_100000690184 [0,2,0,0,0,0|2,0,0]=4 17014 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Cl 1626a_100000210961_100000690184 [0,2,0,0,0,0|2,0,0]=4 17015 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Cl 240690a_100000210961_100000690184 [0,2,0,0,0,0|2,0,0]=4 17016 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)Cl 527a_100000210961_100000690184 [0,2,0,0,0,0|2,0,0]=4 17017 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)F 11a_100000210961_100011218272 [0,2,0,0,0,0|2,0,0]=4 17018 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)F 1626a_100000210961_100011218272 [0,2,0,0,0,0|2,0,0]=4 17019 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)F 240690a_100000210961_100011218272 [0,2,0,0,0,0|2,0,0]=4 17020 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)F 527a_100000210961_100011218272 [0,2,0,0,0,0|2,0,0]=4 17021 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)I 11a_100000210961_100000751865 [0,2,0,0,0,0|2,0,0]=4 17022 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)I 1626a_100000210961_100000751865 [0,2,0,0,0,0|2,0,0]=4 17023 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)I 240690a_100000210961_100000751865 [0,2,0,0,0,0|2,0,0]=4 17024 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)I 527a_100000210961_100000751865 [0,2,0,0,0,0|2,0,0]=4 17025 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)O 240690a_100000210961_100000766327 [0,2,0,0,0,0|2,0,0]=4 17026 B17R1.54 CCOCCCNC(=O)c1cccc(c1C)O 527a_100000210961_100000766327 [0,2,0,0,0,0|2,0,0]=4 17027 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Br 11a_100000210961_100000760540 [0,2,0,0,0,0|2,0,0]=4 17028 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Br 1626a_100000210961_100000760540 [0,2,0,0,0,0|2,0,0]=4 17029 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Br 240690a_100000210961_100000760540 [0,2,0,0,0,0|2,0,0]=4 17030 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Br 527a_100000210961_100000760540 [0,2,0,0,0,0|2,0,0]=4 17031 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)C 11a_100000210961_100000693142 [0,2,0,0,0,0|2,0,0]=4 17032 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)C 1626a_100000210961_100000693142 [0,2,0,0,0,0|2,0,0]=4 17033 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)C 240690a_100000210961_100000693142 [0,2,0,0,0,0|2,0,0]=4 17034 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)C 527a_100000210961_100000693142 [0,2,0,0,0,0|2,0,0]=4 17035 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Cl 11a_100000210961_100000183631 [0,2,0,0,0,0|2,0,0]=4 17036 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Cl 1626a_100000210961_100000183631 [0,2,0,0,0,0|2,0,0]=4 17037 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Cl 240690a_100000210961_100000183631 [0,2,0,0,0,0|2,0,0]=4 17038 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)Cl 527a_100000210961_100000183631 [0,2,0,0,0,0|2,0,0]=4 17039 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)F 11a_100000210961_100000759904 [0,2,0,0,0,0|2,0,0]=4 17040 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)F 1626a_100000210961_100000759904 [0,2,0,0,0,0|2,0,0]=4 17041 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)F 240690a_100000210961_100000759904 [0,2,0,0,0,0|2,0,0]=4 17042 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)F 527a_100000210961_100000759904 [0,2,0,0,0,0|2,0,0]=4 17043 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)I 11a_100000210961_100010176783 [0,2,0,0,0,0|2,0,0]=4 17044 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)I 1626a_100000210961_100010176783 [0,2,0,0,0,0|2,0,0]=4 17045 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)I 240690a_100000210961_100010176783 [0,2,0,0,0,0|2,0,0]=4 17046 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)I 527a_100000210961_100010176783 [0,2,0,0,0,0|2,0,0]=4 17047 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)O 240690a_100000210961_100000092362 [0,2,0,0,0,0|2,0,0]=4 17048 B17R1.54 CCOCCCNC(=O)c1cccc(c1Cl)O 527a_100000210961_100000092362 [0,2,0,0,0,0|2,0,0]=4 17049 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Br 11a_100000210961_100000756403 [0,2,0,0,0,0|2,0,0]=4 17050 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Br 1626a_100000210961_100000756403 [0,2,0,0,0,0|2,0,0]=4 17051 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Br 240690a_100000210961_100000756403 [0,2,0,0,0,0|2,0,0]=4 17052 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Br 527a_100000210961_100000756403 [0,2,0,0,0,0|2,0,0]=4 17053 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)C 11a_100000210961_100000766181 [0,2,0,0,0,0|2,0,0]=4 17054 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)C 1626a_100000210961_100000766181 [0,2,0,0,0,0|2,0,0]=4 17055 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)C 240690a_100000210961_100000766181 [0,2,0,0,0,0|2,0,0]=4 17056 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)C 527a_100000210961_100000766181 [0,2,0,0,0,0|2,0,0]=4 17057 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Cl 11a_100000210961_100000688816 [0,2,0,0,0,0|2,0,0]=4 17058 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Cl 1626a_100000210961_100000688816 [0,2,0,0,0,0|2,0,0]=4 17059 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Cl 240690a_100000210961_100000688816 [0,2,0,0,0,0|2,0,0]=4 17060 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)Cl 527a_100000210961_100000688816 [0,2,0,0,0,0|2,0,0]=4 17061 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)F 11a_100000210961_100000748134 [0,2,0,0,0,0|2,0,0]=4 17062 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)F 1626a_100000210961_100000748134 [0,2,0,0,0,0|2,0,0]=4 17063 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)F 240690a_100000210961_100000748134 [0,2,0,0,0,0|2,0,0]=4 17064 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)F 527a_100000210961_100000748134 [0,2,0,0,0,0|2,0,0]=4 17065 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)I 11a_100000210961_100010185205 [0,2,0,0,0,0|2,0,0]=4 17066 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)I 1626a_100000210961_100010185205 [0,2,0,0,0,0|2,0,0]=4 17067 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)I 240690a_100000210961_100010185205 [0,2,0,0,0,0|2,0,0]=4 17068 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)I 527a_100000210961_100010185205 [0,2,0,0,0,0|2,0,0]=4 17069 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)O 240690a_100000210961_100000037433 [0,2,0,0,0,0|2,0,0]=4 17070 B17R1.54 CCOCCCNC(=O)c1cccc(c1F)O 527a_100000210961_100000037433 [0,2,0,0,0,0|2,0,0]=4 17071 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Br 11a_100000210961_100000688019 [0,2,0,0,0,0|2,0,0]=4 17072 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Br 1626a_100000210961_100000688019 [0,2,0,0,0,0|2,0,0]=4 17073 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Br 240690a_100000210961_100000688019 [0,2,0,0,0,0|2,0,0]=4 17074 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Br 527a_100000210961_100000688019 [0,2,0,0,0,0|2,0,0]=4 17075 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)C 11a_100000210961_100000739377 [0,2,0,0,0,0|2,0,0]=4 17076 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)C 1626a_100000210961_100000739377 [0,2,0,0,0,0|2,0,0]=4 17077 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)C 240690a_100000210961_100000739377 [0,2,0,0,0,0|2,0,0]=4 17078 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)C 527a_100000210961_100000739377 [0,2,0,0,0,0|2,0,0]=4 17079 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Cl 11a_100000210961_100010176784 [0,2,0,0,0,0|2,0,0]=4 17080 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Cl 1626a_100000210961_100010176784 [0,2,0,0,0,0|2,0,0]=4 17081 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Cl 240690a_100000210961_100010176784 [0,2,0,0,0,0|2,0,0]=4 17082 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)Cl 527a_100000210961_100010176784 [0,2,0,0,0,0|2,0,0]=4 17083 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)F 11a_100000210961_100000690930 [0,2,0,0,0,0|2,0,0]=4 17084 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)F 1626a_100000210961_100000690930 [0,2,0,0,0,0|2,0,0]=4 17085 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)F 240690a_100000210961_100000690930 [0,2,0,0,0,0|2,0,0]=4 17086 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)F 527a_100000210961_100000690930 [0,2,0,0,0,0|2,0,0]=4 17087 B17R1.54 CCOCCCNC(=O)c1cccc(c1I)O 527a_100000210961_100010084636 [0,2,0,0,0,0|2,0,0]=4 17088 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)Br 240690a_100000210961_100000752940 [0,2,0,0,0,0|2,0,0]=4 17089 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)Br 527a_100000210961_100000752940 [0,2,0,0,0,0|2,0,0]=4 17090 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)C 240690a_100000210961_100000183896 [0,2,0,0,0,0|2,0,0]=4 17091 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)C 527a_100000210961_100000183896 [0,2,0,0,0,0|2,0,0]=4 17092 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)Cl 240690a_100000210961_100000742801 [0,2,0,0,0,0|2,0,0]=4 17093 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)Cl 527a_100000210961_100000742801 [0,2,0,0,0,0|2,0,0]=4 17094 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)F 240690a_100000210961_100011217230 [0,2,0,0,0,0|2,0,0]=4 17095 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)F 527a_100000210961_100011217230 [0,2,0,0,0,0|2,0,0]=4 17096 B17R1.54 CCOCCCNC(=O)c1cccc(c1O)O 527a_100000210961_100000690420 [0,2,0,0,0,0|2,0,0]=4 17097 B17R1.54 Cc1c(cccc1C(=O)CCCCCCF)Br 1458a_100000760464_100015922095 [0,2,0,0,0,0|2,0,0]=4 17098 B17R1.54 Cc1c(cccc1C(=O)CCCCCCF)Cl 1458a_100000690184_100015922095 [0,2,0,0,0,0|2,0,0]=4 17099 B17R1.54 Cc1c(cccc1C(=O)CCCCCCF)F 1458a_100011218272_100015922095 [0,2,0,0,0,0|2,0,0]=4 17100 B17R1.54 Cc1c(cccc1C(=O)CCCCCCF)I 1458a_100000751865_100015922095 [0,2,0,0,0,0|2,0,0]=4 17101 B17R1.54 Cc1c(cccc1C(=O)CCCCCCF)O 1458a_100000766327_100015922095 [0,2,0,0,0,0|2,0,0]=4 17102 B17R1.54 Cc1c(cccc1C(=O)CCCCCCO)Br 1458a_100000760464_100000766143 [0,2,0,0,0,0|2,0,0]=4 17103 B17R1.54 Cc1c(cccc1C(=O)CCCCCCO)Cl 1458a_100000690184_100000766143 [0,2,0,0,0,0|2,0,0]=4 17104 B17R1.54 Cc1c(cccc1C(=O)CCCCCCO)F 1458a_100011218272_100000766143 [0,2,0,0,0,0|2,0,0]=4 17105 B17R1.54 Cc1c(cccc1C(=O)CCCCCCO)I 1458a_100000751865_100000766143 [0,2,0,0,0,0|2,0,0]=4 17106 B17R1.54 Cc1c(cccc1C(=O)CCCCCCO)O 1458a_100000766327_100000766143 [0,2,0,0,0,0|2,0,0]=4 17107 B17R1.54 Cc1c(cccc1C(=O)NCCCCCO)Br 240690a_100000762737_100000760464 [0,2,0,0,0,0|2,0,0]=4 17108 B17R1.54 Cc1c(cccc1C(=O)NCCCCCO)Cl 240690a_100000762737_100000690184 [0,2,0,0,0,0|2,0,0]=4 17109 B17R1.54 Cc1c(cccc1C(=O)NCCCCCO)F 240690a_100000762737_100011218272 [0,2,0,0,0,0|2,0,0]=4 17110 B17R1.54 Cc1c(cccc1C(=O)NCCCCCO)I 240690a_100000762737_100000751865 [0,2,0,0,0,0|2,0,0]=4 17111 B17R1.54 Cc1c(cccc1C(=O)NCCCCCO)O 240690a_100000762737_100000766327 [0,2,0,0,0,0|2,0,0]=4 17112 B17R1.54 Cc1cccc(c1Br)C(=O)CCCCCCF 1458a_100000692419_100015922095 [0,2,0,0,0,0|2,0,0]=4 17113 B17R1.54 Cc1cccc(c1Br)C(=O)CCCCCCO 1458a_100000692419_100000766143 [0,2,0,0,0,0|2,0,0]=4 17114 B17R1.54 Cc1cccc(c1Br)C(=O)NCCCCCO 240690a_100000762737_100000692419 [0,2,0,0,0,0|2,0,0]=4 17115 B17R1.54 Cc1cccc(c1C)C(=O)CCCCCCF 1458a_100000183679_100015922095 [0,2,0,0,0,0|2,0,0]=4 17116 B17R1.54 Cc1cccc(c1C)C(=O)CCCCCCO 1458a_100000183679_100000766143 [0,2,0,0,0,0|2,0,0]=4 17117 B17R1.54 Cc1cccc(c1C)C(=O)NCCCCCO 240690a_100000762737_100000183679 [0,2,0,0,0,0|2,0,0]=4 17118 B17R1.54 Cc1cccc(c1Cl)C(=O)CCCCCCF 1458a_100000693142_100015922095 [0,2,0,0,0,0|2,0,0]=4 17119 B17R1.54 Cc1cccc(c1Cl)C(=O)CCCCCCO 1458a_100000693142_100000766143 [0,2,0,0,0,0|2,0,0]=4 17120 B17R1.54 Cc1cccc(c1Cl)C(=O)NCCCCCO 240690a_100000762737_100000693142 [0,2,0,0,0,0|2,0,0]=4 17121 B17R1.54 Cc1cccc(c1F)C(=O)CCCCCCF 1458a_100000766181_100015922095 [0,2,0,0,0,0|2,0,0]=4 17122 B17R1.54 Cc1cccc(c1F)C(=O)CCCCCCO 1458a_100000766181_100000766143 [0,2,0,0,0,0|2,0,0]=4 17123 B17R1.54 Cc1cccc(c1F)C(=O)NCCCCCO 240690a_100000762737_100000766181 [0,2,0,0,0,0|2,0,0]=4 17124 B17R1.54 Cc1cccc(c1I)C(=O)CCCCCCF 1458a_100000739377_100015922095 [0,2,0,0,0,0|2,0,0]=4 17125 B17R1.54 Cc1cccc(c1I)C(=O)CCCCCCO 1458a_100000739377_100000766143 [0,2,0,0,0,0|2,0,0]=4 17126 B17R1.54 Cc1cccc(c1I)C(=O)NCCCCCO 240690a_100000762737_100000739377 [0,2,0,0,0,0|2,0,0]=4 17127 B17R1.54 Cc1cccc(c1O)C(=O)CCCCCCF 1458a_100000183896_100015922095 [0,2,0,0,0,0|2,0,0]=4 17128 B17R1.54 Cc1cccc(c1O)C(=O)CCCCCCO 1458a_100000183896_100000766143 [0,2,0,0,0,0|2,0,0]=4 17129 B17R1.54 Cc1cccc(c1O)C(=O)NCCCCCO 240690a_100000762737_100000183896 [0,2,0,0,0,0|2,0,0]=4 17130 B17R1.54 O=C(CCCCCCF)c1cccc(c1Br)Br 1458a_100012360534_100015922095 [0,2,0,0,0,0|2,0,0]=4 17131 B17R1.54 O=C(CCCCCCF)c1cccc(c1Br)Cl 1458a_100012339722_100015922095 [0,2,0,0,0,0|2,0,0]=4 17132 B17R1.54 O=C(CCCCCCF)c1cccc(c1Br)F 1458a_100011217547_100015922095 [0,2,0,0,0,0|2,0,0]=4 17133 B17R1.54 O=C(CCCCCCF)c1cccc(c1Br)I 1458a_100010232522_100015922095 [0,2,0,0,0,0|2,0,0]=4 17134 B17R1.54 O=C(CCCCCCF)c1cccc(c1Br)O 1458a_100010230362_100015922095 [0,2,0,0,0,0|2,0,0]=4 17135 B17R1.54 O=C(CCCCCCF)c1cccc(c1Cl)Br 1458a_100000760540_100015922095 [0,2,0,0,0,0|2,0,0]=4 17136 B17R1.54 O=C(CCCCCCF)c1cccc(c1Cl)Cl 1458a_100000183631_100015922095 [0,2,0,0,0,0|2,0,0]=4 17137 B17R1.54 O=C(CCCCCCF)c1cccc(c1Cl)F 1458a_100000759904_100015922095 [0,2,0,0,0,0|2,0,0]=4 17138 B17R1.54 O=C(CCCCCCF)c1cccc(c1Cl)I 1458a_100010176783_100015922095 [0,2,0,0,0,0|2,0,0]=4 17139 B17R1.54 O=C(CCCCCCF)c1cccc(c1Cl)O 1458a_100000092362_100015922095 [0,2,0,0,0,0|2,0,0]=4 17140 B17R1.54 O=C(CCCCCCF)c1cccc(c1F)Br 1458a_100000756403_100015922095 [0,2,0,0,0,0|2,0,0]=4 17141 B17R1.54 O=C(CCCCCCF)c1cccc(c1F)Cl 1458a_100000688816_100015922095 [0,2,0,0,0,0|2,0,0]=4 17142 B17R1.54 O=C(CCCCCCF)c1cccc(c1F)F 1458a_100000748134_100015922095 [0,2,0,0,0,0|2,0,0]=4 17143 B17R1.54 O=C(CCCCCCF)c1cccc(c1F)I 1458a_100010185205_100015922095 [0,2,0,0,0,0|2,0,0]=4 17144 B17R1.54 O=C(CCCCCCF)c1cccc(c1F)O 1458a_100000037433_100015922095 [0,2,0,0,0,0|2,0,0]=4 17145 B17R1.54 O=C(CCCCCCF)c1cccc(c1I)Br 1458a_100000688019_100015922095 [0,2,0,0,0,0|2,0,0]=4 17146 B17R1.54 O=C(CCCCCCF)c1cccc(c1I)Cl 1458a_100010176784_100015922095 [0,2,0,0,0,0|2,0,0]=4 17147 B17R1.54 O=C(CCCCCCF)c1cccc(c1I)F 1458a_100000690930_100015922095 [0,2,0,0,0,0|2,0,0]=4 17148 B17R1.54 O=C(CCCCCCF)c1cccc(c1I)O 1458a_100010084636_100015922095 [0,2,0,0,0,0|2,0,0]=4 17149 B17R1.54 O=C(CCCCCCF)c1cccc(c1O)Br 1458a_100000752940_100015922095 [0,2,0,0,0,0|2,0,0]=4 17150 B17R1.54 O=C(CCCCCCF)c1cccc(c1O)Cl 1458a_100000742801_100015922095 [0,2,0,0,0,0|2,0,0]=4 17151 B17R1.54 O=C(CCCCCCF)c1cccc(c1O)F 1458a_100011217230_100015922095 [0,2,0,0,0,0|2,0,0]=4 17152 B17R1.54 O=C(CCCCCCF)c1cccc(c1O)O 1458a_100000690420_100015922095 [0,2,0,0,0,0|2,0,0]=4 17153 B17R1.54 O=C(CCCCCCO)c1cccc(c1Br)Br 1458a_100012360534_100000766143 [0,2,0,0,0,0|2,0,0]=4 17154 B17R1.54 O=C(CCCCCCO)c1cccc(c1Br)Cl 1458a_100012339722_100000766143 [0,2,0,0,0,0|2,0,0]=4 17155 B17R1.54 O=C(CCCCCCO)c1cccc(c1Br)F 1458a_100011217547_100000766143 [0,2,0,0,0,0|2,0,0]=4 17156 B17R1.54 O=C(CCCCCCO)c1cccc(c1Br)I 1458a_100010232522_100000766143 [0,2,0,0,0,0|2,0,0]=4 17157 B17R1.54 O=C(CCCCCCO)c1cccc(c1Br)O 1458a_100010230362_100000766143 [0,2,0,0,0,0|2,0,0]=4 17158 B17R1.54 O=C(CCCCCCO)c1cccc(c1Cl)Br 1458a_100000760540_100000766143 [0,2,0,0,0,0|2,0,0]=4 17159 B17R1.54 O=C(CCCCCCO)c1cccc(c1Cl)Cl 1458a_100000183631_100000766143 [0,2,0,0,0,0|2,0,0]=4 17160 B17R1.54 O=C(CCCCCCO)c1cccc(c1Cl)F 1458a_100000759904_100000766143 [0,2,0,0,0,0|2,0,0]=4 17161 B17R1.54 O=C(CCCCCCO)c1cccc(c1Cl)I 1458a_100010176783_100000766143 [0,2,0,0,0,0|2,0,0]=4 17162 B17R1.54 O=C(CCCCCCO)c1cccc(c1Cl)O 1458a_100000092362_100000766143 [0,2,0,0,0,0|2,0,0]=4 17163 B17R1.54 O=C(CCCCCCO)c1cccc(c1F)Br 1458a_100000756403_100000766143 [0,2,0,0,0,0|2,0,0]=4 17164 B17R1.54 O=C(CCCCCCO)c1cccc(c1F)Cl 1458a_100000688816_100000766143 [0,2,0,0,0,0|2,0,0]=4 17165 B17R1.54 O=C(CCCCCCO)c1cccc(c1F)F 1458a_100000748134_100000766143 [0,2,0,0,0,0|2,0,0]=4 17166 B17R1.54 O=C(CCCCCCO)c1cccc(c1F)I 1458a_100010185205_100000766143 [0,2,0,0,0,0|2,0,0]=4 17167 B17R1.54 O=C(CCCCCCO)c1cccc(c1F)O 1458a_100000037433_100000766143 [0,2,0,0,0,0|2,0,0]=4 17168 B17R1.54 O=C(CCCCCCO)c1cccc(c1I)Br 1458a_100000688019_100000766143 [0,2,0,0,0,0|2,0,0]=4 17169 B17R1.54 O=C(CCCCCCO)c1cccc(c1I)Cl 1458a_100010176784_100000766143 [0,2,0,0,0,0|2,0,0]=4 17170 B17R1.54 O=C(CCCCCCO)c1cccc(c1I)F 1458a_100000690930_100000766143 [0,2,0,0,0,0|2,0,0]=4 17171 B17R1.54 O=C(CCCCCCO)c1cccc(c1I)O 1458a_100010084636_100000766143 [0,2,0,0,0,0|2,0,0]=4 17172 B17R1.54 O=C(CCCCCCO)c1cccc(c1O)Br 1458a_100000752940_100000766143 [0,2,0,0,0,0|2,0,0]=4 17173 B17R1.54 O=C(CCCCCCO)c1cccc(c1O)Cl 1458a_100000742801_100000766143 [0,2,0,0,0,0|2,0,0]=4 17174 B17R1.54 O=C(CCCCCCO)c1cccc(c1O)F 1458a_100011217230_100000766143 [0,2,0,0,0,0|2,0,0]=4 17175 B17R1.54 O=C(CCCCCCO)c1cccc(c1O)O 1458a_100000690420_100000766143 [0,2,0,0,0,0|2,0,0]=4 17176 B17R1.54 O=C(NCCCCCO)c1cccc(c1Br)Br 240690a_100000762737_100012360534 [0,2,0,0,0,0|2,0,0]=4 17177 B17R1.54 O=C(NCCCCCO)c1cccc(c1Br)Cl 240690a_100000762737_100012339722 [0,2,0,0,0,0|2,0,0]=4 17178 B17R1.54 O=C(NCCCCCO)c1cccc(c1Br)F 240690a_100000762737_100011217547 [0,2,0,0,0,0|2,0,0]=4 17179 B17R1.54 O=C(NCCCCCO)c1cccc(c1Br)I 240690a_100000762737_100010232522 [0,2,0,0,0,0|2,0,0]=4 17180 B17R1.54 O=C(NCCCCCO)c1cccc(c1Br)O 240690a_100000762737_100010230362 [0,2,0,0,0,0|2,0,0]=4 17181 B17R1.54 O=C(NCCCCCO)c1cccc(c1Cl)Br 240690a_100000762737_100000760540 [0,2,0,0,0,0|2,0,0]=4 17182 B17R1.54 O=C(NCCCCCO)c1cccc(c1Cl)Cl 240690a_100000762737_100000183631 [0,2,0,0,0,0|2,0,0]=4 17183 B17R1.54 O=C(NCCCCCO)c1cccc(c1Cl)F 240690a_100000762737_100000759904 [0,2,0,0,0,0|2,0,0]=4 17184 B17R1.54 O=C(NCCCCCO)c1cccc(c1Cl)I 240690a_100000762737_100010176783 [0,2,0,0,0,0|2,0,0]=4 17185 B17R1.54 O=C(NCCCCCO)c1cccc(c1Cl)O 240690a_100000762737_100000092362 [0,2,0,0,0,0|2,0,0]=4 17186 B17R1.54 O=C(NCCCCCO)c1cccc(c1F)Br 240690a_100000762737_100000756403 [0,2,0,0,0,0|2,0,0]=4 17187 B17R1.54 O=C(NCCCCCO)c1cccc(c1F)Cl 240690a_100000762737_100000688816 [0,2,0,0,0,0|2,0,0]=4 17188 B17R1.54 O=C(NCCCCCO)c1cccc(c1F)F 240690a_100000762737_100000748134 [0,2,0,0,0,0|2,0,0]=4 17189 B17R1.54 O=C(NCCCCCO)c1cccc(c1F)I 240690a_100000762737_100010185205 [0,2,0,0,0,0|2,0,0]=4 17190 B17R1.54 O=C(NCCCCCO)c1cccc(c1F)O 240690a_100000762737_100000037433 [0,2,0,0,0,0|2,0,0]=4 17191 B17R1.54 O=C(NCCCCCO)c1cccc(c1I)Br 240690a_100000762737_100000688019 [0,2,0,0,0,0|2,0,0]=4 17192 B17R1.54 O=C(NCCCCCO)c1cccc(c1I)Cl 240690a_100000762737_100010176784 [0,2,0,0,0,0|2,0,0]=4 17193 B17R1.54 O=C(NCCCCCO)c1cccc(c1I)F 240690a_100000762737_100000690930 [0,2,0,0,0,0|2,0,0]=4 17194 B17R1.54 O=C(NCCCCCO)c1cccc(c1O)Br 240690a_100000762737_100000752940 [0,2,0,0,0,0|2,0,0]=4 17195 B17R1.54 O=C(NCCCCCO)c1cccc(c1O)Cl 240690a_100000762737_100000742801 [0,2,0,0,0,0|2,0,0]=4 17196 B17R1.54 O=C(NCCCCCO)c1cccc(c1O)F 240690a_100000762737_100011217230 [0,2,0,0,0,0|2,0,0]=4 17197 B17R1.711 CCCCCCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210314 [0,2,0,0,0,0|1,0,1]=4 17198 B17R1.711 CCCCCCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210314 [0,2,0,0,0,0|1,0,1]=4 17199 B17R1.711 CCCCCCOC(CC)c1cccc(c1)F 34a_100011350881_100000210314 [0,2,0,0,0,0|1,0,1]=4 17200 B17R1.711 CCCCCCOC(CC)c1cccc(c1)F 7a_100011350881_100000210314 [0,2,0,0,0,0|1,0,1]=4 17201 B17R1.711 CCCCCCOC(CC)c1cccc(c1)I 34a_200013212081_100000210314 [0,2,0,0,0,0|1,0,1]=4 17202 B17R1.711 CCCCCCOC(CC)c1cccc(c1)I 7a_200013212081_100000210314 [0,2,0,0,0,0|1,0,1]=4 17203 B17R1.749 CCCCC(=O)CNC(=O)c1cccc(c1)Br 1458a_100000179737_100000210211 [0,2,0,0,0,0|1,0,1]=4 17204 B17R1.749 CCCCC(=O)CNC(=O)c1cccc(c1)C 1458a_100000182573_100000210211 [0,2,0,0,0,0|1,0,1]=4 17205 B17R1.749 CCCCC(=O)CNC(=O)c1cccc(c1)Cl 1458a_100000182572_100000210211 [0,2,0,0,0,0|1,0,1]=4 17206 B17R1.749 CCCCC(=O)CNC(=O)c1cccc(c1)F 1458a_100000183068_100000210211 [0,2,0,0,0,0|1,0,1]=4 17207 B17R1.749 CCCCC(C)NCC(=O)c1cccc(c1)Br 2230a_100000126638_100000212080 [0,2,0,0,0,0|2,0,0]=4 17208 B17R1.749 CCCCC(C)NCC(=O)c1cccc(c1)C 2230a_100000126638_100000739480 [0,2,0,0,0,0|2,0,0]=4 17209 B17R1.749 CCCCC(C)NCC(=O)c1cccc(c1)Cl 2230a_100000126638_100000211444 [0,2,0,0,0,0|2,0,0]=4 17210 B17R1.749 CCCCC(C)NCC(=O)c1cccc(c1)F 2230a_100000126638_100000215616 [0,2,0,0,0,0|2,0,0]=4 17211 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Br 34a_100000687866_100000212080 [0,2,0,0,0,0|2,0,0]=4 17212 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Br 7a_100000687866_100000212080 [0,2,0,0,0,0|2,0,0]=4 17213 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)C 34a_100000687866_100000739480 [0,2,0,0,0,0|2,0,0]=4 17214 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)C 7a_100000687866_100000739480 [0,2,0,0,0,0|2,0,0]=4 17215 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Cl 34a_100000687866_100000211444 [0,2,0,0,0,0|2,0,0]=4 17216 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Cl 7a_100000687866_100000211444 [0,2,0,0,0,0|2,0,0]=4 17217 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Cl 7a_200011592804_200011215066 [0,2,0,0,0,0|2,0,0]=4 17218 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)F 34a_100000687866_100000215616 [0,2,0,0,0,0|2,0,0]=4 17219 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)F 34a_100011592800_200011215066 [0,2,0,0,0,0|2,0,0]=4 17220 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)F 7a_100011592800_200011215066 [0,2,0,0,0,0|2,0,0]=4 17221 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)O 34a_100000687866_100009813753 [0,2,0,0,0,0|2,0,0]=4 17222 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)O 7a_100000687866_100009813753 [0,2,0,0,0,0|2,0,0]=4 17223 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)Br 62a_100000212080_200011215066 [0,2,0,0,0,0|2,0,0]=4 17224 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)Br 62a_200011215066_100000212080 [0,2,0,0,0,0|2,0,0]=4 17225 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)C 62a_100000739480_200011215066 [0,2,0,0,0,0|2,0,0]=4 17226 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)C 62a_200011215066_100000739480 [0,2,0,0,0,0|2,0,0]=4 17227 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)Cl 62a_100000211444_200011215066 [0,2,0,0,0,0|2,0,0]=4 17228 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)Cl 62a_200011215066_100000211444 [0,2,0,0,0,0|2,0,0]=4 17229 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)F 62a_100000215616_200011215066 [0,2,0,0,0,0|2,0,0]=4 17230 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)F 62a_200011215066_100000215616 [0,2,0,0,0,0|2,0,0]=4 17231 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)O 62a_100009813753_200011215066 [0,2,0,0,0,0|2,0,0]=4 17232 B17R1.749 CCCCC(C)SCC(=O)c1cccc(c1)O 62a_200011215066_100009813753 [0,2,0,0,0,0|2,0,0]=4 17233 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Br 11a_100015185124_100000210664 [0,2,0,0,0,0|2,0,0]=4 17234 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Br 1626a_100015185124_100000210664 [0,2,0,0,0,0|2,0,0]=4 17235 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Br 240690a_100015185124_100000210664 [0,2,0,0,0,0|2,0,0]=4 17236 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Br 527a_100015185124_100000210664 [0,2,0,0,0,0|2,0,0]=4 17237 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)C 11a_100015185124_100000189346 [0,2,0,0,0,0|2,0,0]=4 17238 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)C 1626a_100015185124_100000189346 [0,2,0,0,0,0|2,0,0]=4 17239 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)C 240690a_100015185124_100000189346 [0,2,0,0,0,0|2,0,0]=4 17240 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)C 527a_100015185124_100000189346 [0,2,0,0,0,0|2,0,0]=4 17241 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Cl 11a_100015185124_100000210390 [0,2,0,0,0,0|2,0,0]=4 17242 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Cl 1626a_100015185124_100000210390 [0,2,0,0,0,0|2,0,0]=4 17243 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Cl 240690a_100015185124_100000210390 [0,2,0,0,0,0|2,0,0]=4 17244 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)Cl 527a_100015185124_100000210390 [0,2,0,0,0,0|2,0,0]=4 17245 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)F 11a_100015185124_100000210950 [0,2,0,0,0,0|2,0,0]=4 17246 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)F 1626a_100015185124_100000210950 [0,2,0,0,0,0|2,0,0]=4 17247 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)F 240690a_100015185124_100000210950 [0,2,0,0,0,0|2,0,0]=4 17248 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)F 527a_100015185124_100000210950 [0,2,0,0,0,0|2,0,0]=4 17249 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)I 11a_100015185124_100000184098 [0,2,0,0,0,0|2,0,0]=4 17250 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)I 1626a_100015185124_100000184098 [0,2,0,0,0,0|2,0,0]=4 17251 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)I 240690a_100015185124_100000184098 [0,2,0,0,0,0|2,0,0]=4 17252 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)I 527a_100015185124_100000184098 [0,2,0,0,0,0|2,0,0]=4 17253 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)O 240690a_100015185124_100000183914 [0,2,0,0,0,0|2,0,0]=4 17254 B17R1.749 CCCOC(C)CNC(=O)c1cccc(c1)O 527a_100015185124_100000183914 [0,2,0,0,0,0|2,0,0]=4 17255 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)Br 240690a_102515437182_100000210664 [0,2,0,0,0,0|2,0,0]=4 17256 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)Br 527a_102515437182_100000210664 [0,2,0,0,0,0|2,0,0]=4 17257 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)C 240690a_102515437182_100000189346 [0,2,0,0,0,0|2,0,0]=4 17258 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)C 527a_102515437182_100000189346 [0,2,0,0,0,0|2,0,0]=4 17259 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)Cl 240690a_102515437182_100000210390 [0,2,0,0,0,0|2,0,0]=4 17260 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)Cl 527a_102515437182_100000210390 [0,2,0,0,0,0|2,0,0]=4 17261 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)F 240690a_102515437182_100000210950 [0,2,0,0,0,0|2,0,0]=4 17262 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)F 527a_102515437182_100000210950 [0,2,0,0,0,0|2,0,0]=4 17263 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)I 240690a_102515437182_100000184098 [0,2,0,0,0,0|2,0,0]=4 17264 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)I 527a_102515437182_100000184098 [0,2,0,0,0,0|2,0,0]=4 17265 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)O 240690a_102515437182_100000183914 [0,2,0,0,0,0|2,0,0]=4 17266 B17R1.749 CCOCC(O)CNC(=O)c1cccc(c1)O 527a_102515437182_100000183914 [0,2,0,0,0,0|2,0,0]=4 17267 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)Br 240690a_100160569302_100000210664 [0,2,0,0,0,0|2,0,0]=4 17268 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)Br 527a_100160569302_100000210664 [0,2,0,0,0,0|2,0,0]=4 17269 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)Cl 240690a_100160569302_100000210390 [0,2,0,0,0,0|2,0,0]=4 17270 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)Cl 527a_100160569302_100000210390 [0,2,0,0,0,0|2,0,0]=4 17271 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)F 240690a_100160569302_100000210950 [0,2,0,0,0,0|2,0,0]=4 17272 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)F 527a_100160569302_100000210950 [0,2,0,0,0,0|2,0,0]=4 17273 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)I 240690a_100160569302_100000184098 [0,2,0,0,0,0|2,0,0]=4 17274 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)I 527a_100160569302_100000184098 [0,2,0,0,0,0|2,0,0]=4 17275 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)O 240690a_100160569302_100000183914 [0,2,0,0,0,0|2,0,0]=4 17276 B17R1.749 C[C@H](CCCO)CNC(=O)c1cccc(c1)O 527a_100160569302_100000183914 [0,2,0,0,0,0|2,0,0]=4 17277 B17R1.749 Cc1cccc(c1)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000189346 [0,2,0,0,0,0|2,0,0]=4 17278 B17R1.749 Cc1cccc(c1)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000189346 [0,2,0,0,0,0|2,0,0]=4 17279 B17R1.752 CCCCCCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100011215978 [0,2,0,0,0,0|1,0,0]=3 17280 B17R1.752 CCCCCCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100011215978 [0,2,0,0,0,0|1,0,0]=3 17281 B17R1.752 CCCCCCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100011215978 [0,2,0,0,0,0|1,0,0]=3 17282 B17R1.752 CCCCCCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100011215978 [0,2,0,0,0,0|1,0,0]=3 17283 B17R1.752 CCCCCCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100011215978 [0,2,0,0,0,0|1,0,0]=3 17284 B17R1.752 CCCCCCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100011215978 [0,2,0,0,0,0|1,0,0]=3 17285 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Br 11a_106256046315_100000210664 [0,2,0,0,0,0|1,0,0]=3 17286 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Br 1626a_106256046315_100000210664 [0,2,0,0,0,0|1,0,0]=3 17287 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Br 240690a_106256046315_100000210664 [0,2,0,0,0,0|1,0,0]=3 17288 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Br 527a_106256046315_100000210664 [0,2,0,0,0,0|1,0,0]=3 17289 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)C 11a_106256046315_100000189346 [0,2,0,0,0,0|1,0,0]=3 17290 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)C 1626a_106256046315_100000189346 [0,2,0,0,0,0|1,0,0]=3 17291 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)C 240690a_106256046315_100000189346 [0,2,0,0,0,0|1,0,0]=3 17292 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)C 527a_106256046315_100000189346 [0,2,0,0,0,0|1,0,0]=3 17293 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Cl 11a_106256046315_100000210390 [0,2,0,0,0,0|1,0,0]=3 17294 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Cl 1626a_106256046315_100000210390 [0,2,0,0,0,0|1,0,0]=3 17295 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Cl 240690a_106256046315_100000210390 [0,2,0,0,0,0|1,0,0]=3 17296 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)Cl 527a_106256046315_100000210390 [0,2,0,0,0,0|1,0,0]=3 17297 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)F 11a_106256046315_100000210950 [0,2,0,0,0,0|1,0,0]=3 17298 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)F 1626a_106256046315_100000210950 [0,2,0,0,0,0|1,0,0]=3 17299 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)F 240690a_106256046315_100000210950 [0,2,0,0,0,0|1,0,0]=3 17300 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)F 527a_106256046315_100000210950 [0,2,0,0,0,0|1,0,0]=3 17301 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)I 11a_106256046315_100000184098 [0,2,0,0,0,0|1,0,0]=3 17302 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)I 1626a_106256046315_100000184098 [0,2,0,0,0,0|1,0,0]=3 17303 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)I 240690a_106256046315_100000184098 [0,2,0,0,0,0|1,0,0]=3 17304 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)I 527a_106256046315_100000184098 [0,2,0,0,0,0|1,0,0]=3 17305 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)O 240690a_106256046315_100000183914 [0,2,0,0,0,0|1,0,0]=3 17306 B17R1.752 CCCCCCN(C)C(=O)c1cccc(c1)O 527a_106256046315_100000183914 [0,2,0,0,0,0|1,0,0]=3 17307 B17R1.752 CCCCCNC(C)C(=O)c1cccc(c1)Br 2230a_100000209983_100012349134 [0,2,0,0,0,0|2,0,0]=4 17308 B17R1.752 CCCCCNC(C)C(=O)c1cccc(c1)Cl 2230a_100000209983_100000184413 [0,2,0,0,0,0|2,0,0]=4 17309 B17R1.752 CCCCCNC(C)C(=O)c1cccc(c1)F 2230a_100000209983_100012356231 [0,2,0,0,0,0|2,0,0]=4 17310 B17R1.752 CCCCCOC(C)C(=O)c1cccc(c1)Br 34a_100000210253_100012349134 [0,2,0,0,0,0|2,0,0]=4 17311 B17R1.752 CCCCCOC(C)C(=O)c1cccc(c1)Br 7a_100000210253_100012349134 [0,2,0,0,0,0|2,0,0]=4 17312 B17R1.752 CCCCCOC(C)C(=O)c1cccc(c1)Cl 34a_100000210253_100000184413 [0,2,0,0,0,0|2,0,0]=4 17313 B17R1.752 CCCCCOC(C)C(=O)c1cccc(c1)Cl 7a_100000210253_100000184413 [0,2,0,0,0,0|2,0,0]=4 17314 B17R1.752 CCCCCOC(C)C(=O)c1cccc(c1)F 34a_100000210253_100012356231 [0,2,0,0,0,0|2,0,0]=4 17315 B17R1.752 CCCCCOC(C)C(=O)c1cccc(c1)F 7a_100000210253_100012356231 [0,2,0,0,0,0|2,0,0]=4 17316 B17R1.752 CCCCCSC(C)C(=O)c1cccc(c1)Br 62a_100000210326_100012349134 [0,2,0,0,0,0|2,0,0]=4 17317 B17R1.752 CCCCCSC(C)C(=O)c1cccc(c1)Br 62a_100012349134_100000210326 [0,2,0,0,0,0|2,0,0]=4 17318 B17R1.752 CCCCCSC(C)C(=O)c1cccc(c1)Cl 62a_100000184413_100000210326 [0,2,0,0,0,0|2,0,0]=4 17319 B17R1.752 CCCCCSC(C)C(=O)c1cccc(c1)Cl 62a_100000210326_100000184413 [0,2,0,0,0,0|2,0,0]=4 17320 B17R1.752 CCCCCSC(C)C(=O)c1cccc(c1)F 62a_100000210326_100012356231 [0,2,0,0,0,0|2,0,0]=4 17321 B17R1.752 CCCCCSC(C)C(=O)c1cccc(c1)F 62a_100012356231_100000210326 [0,2,0,0,0,0|2,0,0]=4 17322 B17R1.752 CN(CCCCCO)C(=O)c1cccc(c1)Br 240690a_100000722520_100000210664 [0,2,0,0,0,0|2,0,0]=4 17323 B17R1.752 CN(CCCCCO)C(=O)c1cccc(c1)Cl 240690a_100000722520_100000210390 [0,2,0,0,0,0|2,0,0]=4 17324 B17R1.752 CN(CCCCCO)C(=O)c1cccc(c1)F 240690a_100000722520_100000210950 [0,2,0,0,0,0|2,0,0]=4 17325 B17R1.752 CN(CCCCCO)C(=O)c1cccc(c1)I 240690a_100000722520_100000184098 [0,2,0,0,0,0|2,0,0]=4 17326 B17R1.752 CN(CCCCCO)C(=O)c1cccc(c1)O 240690a_100000722520_100000183914 [0,2,0,0,0,0|2,0,0]=4 17327 B17R1.752 Cc1cccc(c1)C(=O)N(C)CCCCCO 240690a_100000722520_100000189346 [0,2,0,0,0,0|2,0,0]=4 17328 B17R1.969 CCCC(=O)CCNC(=O)c1cccc(c1)C 1458a_100000184521_100000210303 [0,2,0,0,0,0|1,0,1]=4 17329 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)Br 34a_100000688023_100000212080 [0,2,0,0,0,0|2,0,0]=4 17330 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)Br 7a_100000688023_100000212080 [0,2,0,0,0,0|2,0,0]=4 17331 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)C 34a_100000688023_100000739480 [0,2,0,0,0,0|2,0,0]=4 17332 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)C 7a_100000688023_100000739480 [0,2,0,0,0,0|2,0,0]=4 17333 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)Cl 34a_100000688023_100000211444 [0,2,0,0,0,0|2,0,0]=4 17334 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)Cl 7a_100000688023_100000211444 [0,2,0,0,0,0|2,0,0]=4 17335 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)Cl 7a_200011592804_100011216630 [0,2,0,0,0,0|2,0,0]=4 17336 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)F 34a_100000688023_100000215616 [0,2,0,0,0,0|2,0,0]=4 17337 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)F 34a_100011592800_100011216630 [0,2,0,0,0,0|2,0,0]=4 17338 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)F 7a_100011592800_100011216630 [0,2,0,0,0,0|2,0,0]=4 17339 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)O 34a_100000688023_100009813753 [0,2,0,0,0,0|2,0,0]=4 17340 B17R1.969 CCCC(C)COCC(=O)c1cccc(c1)O 7a_100000688023_100009813753 [0,2,0,0,0,0|2,0,0]=4 17341 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)Br 62a_100000212080_100011216630 [0,2,0,0,0,0|2,0,0]=4 17342 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)Br 62a_100011216630_100000212080 [0,2,0,0,0,0|2,0,0]=4 17343 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)C 62a_100000739480_100011216630 [0,2,0,0,0,0|2,0,0]=4 17344 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)C 62a_100011216630_100000739480 [0,2,0,0,0,0|2,0,0]=4 17345 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011216630 [0,2,0,0,0,0|2,0,0]=4 17346 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)Cl 62a_100011216630_100000211444 [0,2,0,0,0,0|2,0,0]=4 17347 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)F 62a_100000215616_100011216630 [0,2,0,0,0,0|2,0,0]=4 17348 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)F 62a_100011216630_100000215616 [0,2,0,0,0,0|2,0,0]=4 17349 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)O 62a_100009813753_100011216630 [0,2,0,0,0,0|2,0,0]=4 17350 B17R1.969 CCCC(C)CSCC(=O)c1cccc(c1)O 62a_100011216630_100009813753 [0,2,0,0,0,0|2,0,0]=4 17351 B17R1.969 CCC[C@H](N)COCC(=O)c1cccc(c1)Br 34a_100000732646_100000212080 [0,2,0,0,0,0|2,0,0]=4 17352 B17R1.969 CCC[C@H](N)COCC(=O)c1cccc(c1)C 34a_100000732646_100000739480 [0,2,0,0,0,0|2,0,0]=4 17353 B17R1.969 CCC[C@H](N)COCC(=O)c1cccc(c1)Cl 34a_100000732646_100000211444 [0,2,0,0,0,0|2,0,0]=4 17354 B17R1.969 CCC[C@H](N)COCC(=O)c1cccc(c1)F 34a_100000732646_100000215616 [0,2,0,0,0,0|2,0,0]=4 17355 B17R1.969 CCC[C@H](N)COCC(=O)c1cccc(c1)O 34a_100000732646_100009813753 [0,2,0,0,0,0|2,0,0]=4 17356 B17R1.1186 CCC(C)CCNCC(=O)c1cccc(c1)Br 2230a_100020591266_100000212080 [0,2,0,0,0,0|2,0,0]=4 17357 B17R1.1186 CCC(C)CCNCC(=O)c1cccc(c1)C 2230a_100020591266_100000739480 [0,2,0,0,0,0|2,0,0]=4 17358 B17R1.1186 CCC(C)CCNCC(=O)c1cccc(c1)Cl 2230a_100020591266_100000211444 [0,2,0,0,0,0|2,0,0]=4 17359 B17R1.1186 CCC(C)CCNCC(=O)c1cccc(c1)F 2230a_100020591266_100000215616 [0,2,0,0,0,0|2,0,0]=4 17360 B17R1.1186 CCC(C)CCOCC(=O)c1cccc(c1)Br 7a_100011215188_100000212080 [0,2,0,0,0,0|2,0,0]=4 17361 B17R1.1186 CCC(C)CCOCC(=O)c1cccc(c1)C 7a_100011215188_100000739480 [0,2,0,0,0,0|2,0,0]=4 17362 B17R1.1186 CCC(C)CCOCC(=O)c1cccc(c1)Cl 7a_100011215188_100000211444 [0,2,0,0,0,0|2,0,0]=4 17363 B17R1.1186 CCC(C)CCOCC(=O)c1cccc(c1)O 7a_100011215188_100009813753 [0,2,0,0,0,0|2,0,0]=4 17364 B17R1.1186 CCC(C)OCCNC(=O)c1cccc(c1)Br 34a_200000158903_100011215416 [0,2,0,0,0,0|2,0,0]=4 17365 B17R1.1186 CCC(C)OCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000758301 [0,2,0,0,0,0|2,0,0]=4 17366 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)Br 270084a_100000210581_100000184224 [0,2,0,0,0,0|2,0,0]=4 17367 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)Br 274078a_100000210581_100000184224 [0,2,0,0,0,0|2,0,0]=4 17368 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)Br 40a_100000210581_100010340488 [0,2,0,0,0,0|2,0,0]=4 17369 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)C 270084a_100000210581_100000182797 [0,2,0,0,0,0|2,0,0]=4 17370 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)C 274078a_100000210581_100000182797 [0,2,0,0,0,0|2,0,0]=4 17371 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)C 40a_100000210581_100010983817 [0,2,0,0,0,0|2,0,0]=4 17372 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)Cl 270084a_100000210581_100000182923 [0,2,0,0,0,0|2,0,0]=4 17373 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)Cl 274078a_100000210581_100000182923 [0,2,0,0,0,0|2,0,0]=4 17374 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)F 270084a_100000210581_100000184201 [0,2,0,0,0,0|2,0,0]=4 17375 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)F 274078a_100000210581_100000184201 [0,2,0,0,0,0|2,0,0]=4 17376 B17R1.1247 CCCCCCNS(=O)(=O)c1cccc(c1)N 40a_100000210581_100000034547 [0,2,0,0,0,0|2,0,0]=4 17377 B17R1.1247 CCCCCCOC(C)(C)c1cccc(c1)Br 34a_100011346009_100000210314 [0,2,0,0,0,0|1,0,1]=4 17378 B17R1.1247 CCCCCCOC(C)(C)c1cccc(c1)Br 7a_100011346009_100000210314 [0,2,0,0,0,0|1,0,1]=4 17379 B17R1.1247 CCCCCCOC(C)(C)c1cccc(c1)Cl 34a_100011345980_100000210314 [0,2,0,0,0,0|1,0,1]=4 17380 B17R1.1247 CCCCCCOC(C)(C)c1cccc(c1)Cl 7a_100011345980_100000210314 [0,2,0,0,0,0|1,0,1]=4 17381 B17R1.1247 CCCCCCOC(C)(C)c1cccc(c1)F 34a_200011345953_100000210314 [0,2,0,0,0,0|1,0,1]=4 17382 B17R1.1247 CCCCCCOC(C)(C)c1cccc(c1)F 7a_200011345953_100000210314 [0,2,0,0,0,0|1,0,1]=4 17383 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000210614 [0,2,0,0,0,0|1,0,0]=3 17384 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210614 [0,2,0,0,0,0|1,0,0]=3 17385 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000210614 [0,2,0,0,0,0|1,0,0]=3 17386 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000210614 [0,2,0,0,0,0|1,0,0]=3 17387 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000210614 [0,2,0,0,0,0|1,0,0]=3 17388 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000210614 [0,2,0,0,0,0|1,0,0]=3 17389 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210614 [0,2,0,0,0,0|1,0,0]=3 17390 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210614 [0,2,0,0,0,0|1,0,0]=3 17391 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210614 [0,2,0,0,0,0|1,0,0]=3 17392 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210614 [0,2,0,0,0,0|1,0,0]=3 17393 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210614 [0,2,0,0,0,0|1,0,0]=3 17394 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210614 [0,2,0,0,0,0|1,0,0]=3 17395 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000210614 [0,2,0,0,0,0|1,0,0]=3 17396 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210614 [0,2,0,0,0,0|1,0,0]=3 17397 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000210614 [0,2,0,0,0,0|1,0,0]=3 17398 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000210614 [0,2,0,0,0,0|1,0,0]=3 17399 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000210614 [0,2,0,0,0,0|1,0,0]=3 17400 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000210614 [0,2,0,0,0,0|1,0,0]=3 17401 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000210614 [0,2,0,0,0,0|1,0,0]=3 17402 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210614 [0,2,0,0,0,0|1,0,0]=3 17403 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000210614 [0,2,0,0,0,0|1,0,0]=3 17404 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000210614 [0,2,0,0,0,0|1,0,0]=3 17405 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000210614 [0,2,0,0,0,0|1,0,0]=3 17406 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000210614 [0,2,0,0,0,0|1,0,0]=3 17407 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000210614 [0,2,0,0,0,0|1,0,0]=3 17408 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210614 [0,2,0,0,0,0|1,0,0]=3 17409 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000210614 [0,2,0,0,0,0|1,0,0]=3 17410 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000210614 [0,2,0,0,0,0|1,0,0]=3 17411 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000210614 [0,2,0,0,0,0|1,0,0]=3 17412 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000210614 [0,2,0,0,0,0|1,0,0]=3 17413 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210614 [0,2,0,0,0,0|1,0,0]=3 17414 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210614 [0,2,0,0,0,0|1,0,0]=3 17415 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210614 [0,2,0,0,0,0|1,0,0]=3 17416 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210614 [0,2,0,0,0,0|1,0,0]=3 17417 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210614 [0,2,0,0,0,0|1,0,0]=3 17418 B17R1.9248 CCCCCCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210614 [0,2,0,0,0,0|1,0,0]=3 17419 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Br 11a_100000210581_100000690610 [0,2,0,0,0,0|1,0,0]=3 17420 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Br 1626a_100000210581_100000690610 [0,2,0,0,0,0|1,0,0]=3 17421 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Br 240690a_100000210581_100000690610 [0,2,0,0,0,0|1,0,0]=3 17422 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Br 527a_100000210581_100000690610 [0,2,0,0,0,0|1,0,0]=3 17423 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)C 11a_100000210581_100000689033 [0,2,0,0,0,0|1,0,0]=3 17424 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)C 1626a_100000210581_100000689033 [0,2,0,0,0,0|1,0,0]=3 17425 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)C 240690a_100000210581_100000689033 [0,2,0,0,0,0|1,0,0]=3 17426 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)C 527a_100000210581_100000689033 [0,2,0,0,0,0|1,0,0]=3 17427 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Cl 11a_100000210581_100000736951 [0,2,0,0,0,0|1,0,0]=3 17428 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Cl 1626a_100000210581_100000736951 [0,2,0,0,0,0|1,0,0]=3 17429 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Cl 240690a_100000210581_100000736951 [0,2,0,0,0,0|1,0,0]=3 17430 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)Cl 527a_100000210581_100000736951 [0,2,0,0,0,0|1,0,0]=3 17431 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)F 11a_100000210581_100000212315 [0,2,0,0,0,0|1,0,0]=3 17432 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)F 1626a_100000210581_100000212315 [0,2,0,0,0,0|1,0,0]=3 17433 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)F 240690a_100000210581_100000212315 [0,2,0,0,0,0|1,0,0]=3 17434 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)F 527a_100000210581_100000212315 [0,2,0,0,0,0|1,0,0]=3 17435 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)I 11a_100000210581_100000698340 [0,2,0,0,0,0|1,0,0]=3 17436 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)I 1626a_100000210581_100000698340 [0,2,0,0,0,0|1,0,0]=3 17437 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)I 240690a_100000210581_100000698340 [0,2,0,0,0,0|1,0,0]=3 17438 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)I 527a_100000210581_100000698340 [0,2,0,0,0,0|1,0,0]=3 17439 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)O 240690a_100000210581_100012352043 [0,2,0,0,0,0|1,0,0]=3 17440 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Br)O 527a_100000210581_100012352043 [0,2,0,0,0,0|1,0,0]=3 17441 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Br 11a_100000210581_100000759961 [0,2,0,0,0,0|1,0,0]=3 17442 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Br 1626a_100000210581_100000759961 [0,2,0,0,0,0|1,0,0]=3 17443 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Br 240690a_100000210581_100000759961 [0,2,0,0,0,0|1,0,0]=3 17444 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Br 527a_100000210581_100000759961 [0,2,0,0,0,0|1,0,0]=3 17445 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)C 11a_100000210581_100000195421 [0,2,0,0,0,0|1,0,0]=3 17446 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)C 1626a_100000210581_100000195421 [0,2,0,0,0,0|1,0,0]=3 17447 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)C 240690a_100000210581_100000195421 [0,2,0,0,0,0|1,0,0]=3 17448 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)C 527a_100000210581_100000195421 [0,2,0,0,0,0|1,0,0]=3 17449 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Cl 11a_100000210581_100000692595 [0,2,0,0,0,0|1,0,0]=3 17450 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Cl 1626a_100000210581_100000692595 [0,2,0,0,0,0|1,0,0]=3 17451 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Cl 240690a_100000210581_100000692595 [0,2,0,0,0,0|1,0,0]=3 17452 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)Cl 527a_100000210581_100000692595 [0,2,0,0,0,0|1,0,0]=3 17453 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)F 11a_100000210581_100000240043 [0,2,0,0,0,0|1,0,0]=3 17454 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)F 1626a_100000210581_100000240043 [0,2,0,0,0,0|1,0,0]=3 17455 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)F 240690a_100000210581_100000240043 [0,2,0,0,0,0|1,0,0]=3 17456 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)F 527a_100000210581_100000240043 [0,2,0,0,0,0|1,0,0]=3 17457 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)I 11a_100000210581_100000688012 [0,2,0,0,0,0|1,0,0]=3 17458 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)I 1626a_100000210581_100000688012 [0,2,0,0,0,0|1,0,0]=3 17459 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)I 240690a_100000210581_100000688012 [0,2,0,0,0,0|1,0,0]=3 17460 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)I 527a_100000210581_100000688012 [0,2,0,0,0,0|1,0,0]=3 17461 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1C)O 240690a_100000210581_100000687834 [0,2,0,0,0,0|1,0,0]=3 17462 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Br 11a_100000210581_100000211212 [0,2,0,0,0,0|1,0,0]=3 17463 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Br 1626a_100000210581_100000211212 [0,2,0,0,0,0|1,0,0]=3 17464 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Br 240690a_100000210581_100000211212 [0,2,0,0,0,0|1,0,0]=3 17465 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Br 527a_100000210581_100000211212 [0,2,0,0,0,0|1,0,0]=3 17466 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)C 11a_100000210581_100011290873 [0,2,0,0,0,0|1,0,0]=3 17467 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)C 1626a_100000210581_100011290873 [0,2,0,0,0,0|1,0,0]=3 17468 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)C 240690a_100000210581_100011290873 [0,2,0,0,0,0|1,0,0]=3 17469 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)C 527a_100000210581_100011290873 [0,2,0,0,0,0|1,0,0]=3 17470 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Cl 11a_100000210581_100000210642 [0,2,0,0,0,0|1,0,0]=3 17471 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Cl 1626a_100000210581_100000210642 [0,2,0,0,0,0|1,0,0]=3 17472 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Cl 240690a_100000210581_100000210642 [0,2,0,0,0,0|1,0,0]=3 17473 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)Cl 527a_100000210581_100000210642 [0,2,0,0,0,0|1,0,0]=3 17474 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)F 11a_100000210581_100011219680 [0,2,0,0,0,0|1,0,0]=3 17475 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)F 1626a_100000210581_100011219680 [0,2,0,0,0,0|1,0,0]=3 17476 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)F 240690a_100000210581_100011219680 [0,2,0,0,0,0|1,0,0]=3 17477 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)F 527a_100000210581_100011219680 [0,2,0,0,0,0|1,0,0]=3 17478 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)I 11a_100000210581_100000688013 [0,2,0,0,0,0|1,0,0]=3 17479 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)I 1626a_100000210581_100000688013 [0,2,0,0,0,0|1,0,0]=3 17480 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)I 240690a_100000210581_100000688013 [0,2,0,0,0,0|1,0,0]=3 17481 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)I 527a_100000210581_100000688013 [0,2,0,0,0,0|1,0,0]=3 17482 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)O 240690a_100000210581_100000719527 [0,2,0,0,0,0|1,0,0]=3 17483 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1Cl)O 527a_100000210581_100000719527 [0,2,0,0,0,0|1,0,0]=3 17484 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Br 11a_100000210581_100000212322 [0,2,0,0,0,0|1,0,0]=3 17485 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Br 1626a_100000210581_100000212322 [0,2,0,0,0,0|1,0,0]=3 17486 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Br 240690a_100000210581_100000212322 [0,2,0,0,0,0|1,0,0]=3 17487 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Br 527a_100000210581_100000212322 [0,2,0,0,0,0|1,0,0]=3 17488 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)C 11a_100000210581_100000749327 [0,2,0,0,0,0|1,0,0]=3 17489 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)C 1626a_100000210581_100000749327 [0,2,0,0,0,0|1,0,0]=3 17490 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)C 240690a_100000210581_100000749327 [0,2,0,0,0,0|1,0,0]=3 17491 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)C 527a_100000210581_100000749327 [0,2,0,0,0,0|1,0,0]=3 17492 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Cl 11a_100000210581_100000214954 [0,2,0,0,0,0|1,0,0]=3 17493 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Cl 1626a_100000210581_100000214954 [0,2,0,0,0,0|1,0,0]=3 17494 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Cl 240690a_100000210581_100000214954 [0,2,0,0,0,0|1,0,0]=3 17495 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)Cl 527a_100000210581_100000214954 [0,2,0,0,0,0|1,0,0]=3 17496 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)F 11a_100000210581_100000198512 [0,2,0,0,0,0|1,0,0]=3 17497 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)F 1626a_100000210581_100000198512 [0,2,0,0,0,0|1,0,0]=3 17498 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)F 240690a_100000210581_100000198512 [0,2,0,0,0,0|1,0,0]=3 17499 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)F 527a_100000210581_100000198512 [0,2,0,0,0,0|1,0,0]=3 17500 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)I 11a_100000210581_100000688014 [0,2,0,0,0,0|1,0,0]=3 17501 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)I 1626a_100000210581_100000688014 [0,2,0,0,0,0|1,0,0]=3 17502 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)I 240690a_100000210581_100000688014 [0,2,0,0,0,0|1,0,0]=3 17503 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)I 527a_100000210581_100000688014 [0,2,0,0,0,0|1,0,0]=3 17504 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)O 240690a_100000210581_100000037260 [0,2,0,0,0,0|1,0,0]=3 17505 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1F)O 527a_100000210581_100000037260 [0,2,0,0,0,0|1,0,0]=3 17506 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Br 11a_100000210581_100000183945 [0,2,0,0,0,0|1,0,0]=3 17507 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Br 1626a_100000210581_100000183945 [0,2,0,0,0,0|1,0,0]=3 17508 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Br 240690a_100000210581_100000183945 [0,2,0,0,0,0|1,0,0]=3 17509 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)C 11a_100000210581_100000057929 [0,2,0,0,0,0|1,0,0]=3 17510 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)C 1626a_100000210581_100000057929 [0,2,0,0,0,0|1,0,0]=3 17511 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)C 240690a_100000210581_100000057929 [0,2,0,0,0,0|1,0,0]=3 17512 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)C 527a_100000210581_100000057929 [0,2,0,0,0,0|1,0,0]=3 17513 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Cl 11a_100000210581_100000739379 [0,2,0,0,0,0|1,0,0]=3 17514 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Cl 1626a_100000210581_100000739379 [0,2,0,0,0,0|1,0,0]=3 17515 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Cl 240690a_100000210581_100000739379 [0,2,0,0,0,0|1,0,0]=3 17516 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)Cl 527a_100000210581_100000739379 [0,2,0,0,0,0|1,0,0]=3 17517 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)F 11a_100000210581_100000748905 [0,2,0,0,0,0|1,0,0]=3 17518 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)F 1626a_100000210581_100000748905 [0,2,0,0,0,0|1,0,0]=3 17519 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)F 240690a_100000210581_100000748905 [0,2,0,0,0,0|1,0,0]=3 17520 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)F 527a_100000210581_100000748905 [0,2,0,0,0,0|1,0,0]=3 17521 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)I 11a_100000210581_100000750460 [0,2,0,0,0,0|1,0,0]=3 17522 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)I 1626a_100000210581_100000750460 [0,2,0,0,0,0|1,0,0]=3 17523 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)I 240690a_100000210581_100000750460 [0,2,0,0,0,0|1,0,0]=3 17524 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)I 527a_100000210581_100000750460 [0,2,0,0,0,0|1,0,0]=3 17525 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)O 1626a_100000210581_200009995701 [0,2,0,0,0,0|1,0,0]=3 17526 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)O 240690a_100000210581_200009995701 [0,2,0,0,0,0|1,0,0]=3 17527 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1I)O 527a_100000210581_200009995701 [0,2,0,0,0,0|1,0,0]=3 17528 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Br 1626a_100000210581_100000212140 [0,2,0,0,0,0|1,0,0]=3 17529 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Br 240690a_100000210581_100000212140 [0,2,0,0,0,0|1,0,0]=3 17530 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Br 527a_100000210581_100000212140 [0,2,0,0,0,0|1,0,0]=3 17531 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)C 240690a_100000210581_100000229998 [0,2,0,0,0,0|1,0,0]=3 17532 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)C 527a_100000210581_100000229998 [0,2,0,0,0,0|1,0,0]=3 17533 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Cl 11a_100000210581_100000212143 [0,2,0,0,0,0|1,0,0]=3 17534 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Cl 1626a_100000210581_100000212143 [0,2,0,0,0,0|1,0,0]=3 17535 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Cl 240690a_100000210581_100000212143 [0,2,0,0,0,0|1,0,0]=3 17536 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)Cl 527a_100000210581_100000212143 [0,2,0,0,0,0|1,0,0]=3 17537 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)F 240690a_100000210581_100000742286 [0,2,0,0,0,0|1,0,0]=3 17538 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)F 527a_100000210581_100000742286 [0,2,0,0,0,0|1,0,0]=3 17539 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)I 240690a_100000210581_100000212111 [0,2,0,0,0,0|1,0,0]=3 17540 B17R1.9248 CCCCCCNC(=O)c1cc(ccc1O)I 527a_100000210581_100000212111 [0,2,0,0,0,0|1,0,0]=3 17541 B17R1.9248 CCCCCCOC(C)c1cc(ccc1C)C 34a_200000246511_100000210314 [0,2,0,0,0,0|1,0,1]=4 17542 B17R1.9248 CCCCCCOC(C)c1cc(ccc1C)C 7a_200000246511_100000210314 [0,2,0,0,0,0|1,0,1]=4 17543 B17R1.9248 CCCCCCOC(C)c1cc(ccc1C)Cl 34a_100012002745_100000210314 [0,2,0,0,0,0|1,0,1]=4 17544 B17R1.9248 CCCCCCOC(C)c1cc(ccc1C)Cl 7a_100012002745_100000210314 [0,2,0,0,0,0|1,0,1]=4 17545 B17R1.9248 CCCCCCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000210314 [0,2,0,0,0,0|1,0,1]=4 17546 B17R1.9248 CCCCCCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000210314 [0,2,0,0,0,0|1,0,1]=4 17547 B17R1.9248 CCCCCCOC(C)c1cc(ccc1F)Br 34a_100011943926_100000210314 [0,2,0,0,0,0|1,0,1]=4 17548 B17R1.9248 CCCCCCOC(C)c1cc(ccc1F)Br 7a_100011943926_100000210314 [0,2,0,0,0,0|1,0,1]=4 17549 B17R1.9248 CCCCCCOC(C)c1cc(ccc1F)F 34a_100000246540_100000210314 [0,2,0,0,0,0|1,0,1]=4 17550 B17R1.9248 CCCCCCOC(C)c1cc(ccc1F)F 7a_100000246540_100000210314 [0,2,0,0,0,0|1,0,1]=4 17551 B17R1.9248 CCCCCCO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000210314 [0,2,0,0,0,0|1,0,1]=4 17552 B17R1.9248 CCCCCCO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000210314 [0,2,0,0,0,0|1,0,1]=4 17553 B17R1.9248 CCCCCNCC(=O)c1cc(ccc1Br)Cl 2230a_100000209983_100012361344 [0,2,0,0,0,0|2,0,0]=4 17554 B17R1.9248 CCCCCNCC(=O)c1cc(ccc1C)C 2230a_100000209983_100000183774 [0,2,0,0,0,0|2,0,0]=4 17555 B17R1.9248 CCCCCNCC(=O)c1cc(ccc1Cl)Cl 2230a_100000209983_100000183120 [0,2,0,0,0,0|2,0,0]=4 17556 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Br)Br 22a_100000694160_100000690610 [0,2,0,0,0,0|2,0,0]=4 17557 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Br)C 22a_100000694160_100000689033 [0,2,0,0,0,0|2,0,0]=4 17558 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Br)Cl 22a_100000694160_100000736951 [0,2,0,0,0,0|2,0,0]=4 17559 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Br)F 22a_100000694160_100000212315 [0,2,0,0,0,0|2,0,0]=4 17560 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Br)I 22a_100000694160_100000698340 [0,2,0,0,0,0|2,0,0]=4 17561 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Br)O 22a_100000694160_100012352043 [0,2,0,0,0,0|2,0,0]=4 17562 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1C)Br 22a_100000694160_100000759961 [0,2,0,0,0,0|2,0,0]=4 17563 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1C)C 22a_100000694160_100000195421 [0,2,0,0,0,0|2,0,0]=4 17564 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1C)Cl 22a_100000694160_100000692595 [0,2,0,0,0,0|2,0,0]=4 17565 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1C)F 22a_100000694160_100000240043 [0,2,0,0,0,0|2,0,0]=4 17566 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1C)I 22a_100000694160_100000688012 [0,2,0,0,0,0|2,0,0]=4 17567 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1C)O 22a_100000694160_100000687834 [0,2,0,0,0,0|2,0,0]=4 17568 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Cl)Br 22a_100000694160_100000211212 [0,2,0,0,0,0|2,0,0]=4 17569 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Cl)C 22a_100000694160_100011290873 [0,2,0,0,0,0|2,0,0]=4 17570 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Cl)Cl 22a_100000694160_100000210642 [0,2,0,0,0,0|2,0,0]=4 17571 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Cl)F 22a_100000694160_100011219680 [0,2,0,0,0,0|2,0,0]=4 17572 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Cl)I 22a_100000694160_100000688013 [0,2,0,0,0,0|2,0,0]=4 17573 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1Cl)O 22a_100000694160_100000719527 [0,2,0,0,0,0|2,0,0]=4 17574 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1F)Br 22a_100000694160_100000212322 [0,2,0,0,0,0|2,0,0]=4 17575 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1F)C 22a_100000694160_100000749327 [0,2,0,0,0,0|2,0,0]=4 17576 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1F)Cl 22a_100000694160_100000214954 [0,2,0,0,0,0|2,0,0]=4 17577 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1F)F 22a_100000694160_100000198512 [0,2,0,0,0,0|2,0,0]=4 17578 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1F)I 22a_100000694160_100000688014 [0,2,0,0,0,0|2,0,0]=4 17579 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1F)O 22a_100000694160_100000037260 [0,2,0,0,0,0|2,0,0]=4 17580 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1I)Br 22a_100000694160_100000183945 [0,2,0,0,0,0|2,0,0]=4 17581 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1I)C 22a_100000694160_100000057929 [0,2,0,0,0,0|2,0,0]=4 17582 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1I)Cl 22a_100000694160_100000739379 [0,2,0,0,0,0|2,0,0]=4 17583 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1I)F 22a_100000694160_100000748905 [0,2,0,0,0,0|2,0,0]=4 17584 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1I)I 22a_100000694160_100000750460 [0,2,0,0,0,0|2,0,0]=4 17585 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1I)O 22a_100000694160_200009995701 [0,2,0,0,0,0|2,0,0]=4 17586 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1O)Br 22a_100000694160_100000212140 [0,2,0,0,0,0|2,0,0]=4 17587 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1O)C 22a_100000694160_100000229998 [0,2,0,0,0,0|2,0,0]=4 17588 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1O)Cl 22a_100000694160_100000212143 [0,2,0,0,0,0|2,0,0]=4 17589 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1O)F 22a_100000694160_100000742286 [0,2,0,0,0,0|2,0,0]=4 17590 B17R1.9248 CCCCCNNC(=O)c1cc(ccc1O)I 22a_100000694160_100000212111 [0,2,0,0,0,0|2,0,0]=4 17591 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1Br)Cl 34a_100000210253_100012361344 [0,2,0,0,0,0|2,0,0]=4 17592 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1C)C 34a_100000210253_100000183774 [0,2,0,0,0,0|2,0,0]=4 17593 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1C)C 7a_100000210253_100000183774 [0,2,0,0,0,0|2,0,0]=4 17594 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1Cl)F 34a_100000210253_200010187420 [0,2,0,0,0,0|2,0,0]=4 17595 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1F)F 34a_100000210253_100000211571 [0,2,0,0,0,0|2,0,0]=4 17596 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1F)F 7a_100000210253_100000211571 [0,2,0,0,0,0|2,0,0]=4 17597 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1O)Br 34a_100000210253_200009828000 [0,2,0,0,0,0|2,0,0]=4 17598 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1O)Br 7a_100000210253_200009828000 [0,2,0,0,0,0|2,0,0]=4 17599 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1O)F 34a_100000210253_100009814381 [0,2,0,0,0,0|2,0,0]=4 17600 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1O)F 7a_100000210253_100000047744 [0,2,0,0,0,0|2,0,0]=4 17601 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1O)O 34a_100000210253_100009814097 [0,2,0,0,0,0|2,0,0]=4 17602 B17R1.9248 CCCCCOCC(=O)c1cc(ccc1O)O 7a_100000210253_100009814097 [0,2,0,0,0,0|2,0,0]=4 17603 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1Br)Cl 62a_100012361344_100000210326 [0,2,0,0,0,0|2,0,0]=4 17604 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1C)C 62a_100000183774_100000210326 [0,2,0,0,0,0|2,0,0]=4 17605 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1C)C 62a_100000210326_100000183774 [0,2,0,0,0,0|2,0,0]=4 17606 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1Cl)Cl 62a_100000183120_100000210326 [0,2,0,0,0,0|2,0,0]=4 17607 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1Cl)F 62a_100000210326_200010187420 [0,2,0,0,0,0|2,0,0]=4 17608 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1Cl)F 62a_200010187420_100000210326 [0,2,0,0,0,0|2,0,0]=4 17609 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1F)F 62a_100000210326_100000211571 [0,2,0,0,0,0|2,0,0]=4 17610 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1F)F 62a_100000211571_100000210326 [0,2,0,0,0,0|2,0,0]=4 17611 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1O)Br 62a_200009828000_100000210326 [0,2,0,0,0,0|2,0,0]=4 17612 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1O)Cl 62a_200009816716_100000210326 [0,2,0,0,0,0|2,0,0]=4 17613 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1O)F 62a_100000210326_100009814381 [0,2,0,0,0,0|2,0,0]=4 17614 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1O)F 62a_100009814381_100000210326 [0,2,0,0,0,0|2,0,0]=4 17615 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1O)O 62a_100000210326_100009814097 [0,2,0,0,0,0|2,0,0]=4 17616 B17R1.9248 CCCCCSCC(=O)c1cc(ccc1O)O 62a_100009814097_100000210326 [0,2,0,0,0,0|2,0,0]=4 17617 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Br)Br 1458a_100000690610_100000743108 [0,2,0,0,0,0|2,0,0]=4 17618 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000743108 [0,2,0,0,0,0|2,0,0]=4 17619 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_100000743108 [0,2,0,0,0,0|2,0,0]=4 17620 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Br)F 1458a_100000212315_100000743108 [0,2,0,0,0,0|2,0,0]=4 17621 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Br)I 1458a_100000698340_100000743108 [0,2,0,0,0,0|2,0,0]=4 17622 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Br)O 1458a_100012352043_100000743108 [0,2,0,0,0,0|2,0,0]=4 17623 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000743108 [0,2,0,0,0,0|2,0,0]=4 17624 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000743108 [0,2,0,0,0,0|2,0,0]=4 17625 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000743108 [0,2,0,0,0,0|2,0,0]=4 17626 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000743108 [0,2,0,0,0,0|2,0,0]=4 17627 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000743108 [0,2,0,0,0,0|2,0,0]=4 17628 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000743108 [0,2,0,0,0,0|2,0,0]=4 17629 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_100000743108 [0,2,0,0,0,0|2,0,0]=4 17630 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000743108 [0,2,0,0,0,0|2,0,0]=4 17631 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_100000743108 [0,2,0,0,0,0|2,0,0]=4 17632 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Cl)F 1458a_100011219680_100000743108 [0,2,0,0,0,0|2,0,0]=4 17633 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Cl)I 1458a_100000688013_100000743108 [0,2,0,0,0,0|2,0,0]=4 17634 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1Cl)O 1458a_100000719527_100000743108 [0,2,0,0,0,0|2,0,0]=4 17635 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1F)Br 1458a_100000212322_100000743108 [0,2,0,0,0,0|2,0,0]=4 17636 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000743108 [0,2,0,0,0,0|2,0,0]=4 17637 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1F)Cl 1458a_100000214954_100000743108 [0,2,0,0,0,0|2,0,0]=4 17638 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1F)F 1458a_100000198512_100000743108 [0,2,0,0,0,0|2,0,0]=4 17639 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1F)I 1458a_100000688014_100000743108 [0,2,0,0,0,0|2,0,0]=4 17640 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1F)O 1458a_100000037260_100000743108 [0,2,0,0,0,0|2,0,0]=4 17641 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1I)Br 1458a_100000183945_100000743108 [0,2,0,0,0,0|2,0,0]=4 17642 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000743108 [0,2,0,0,0,0|2,0,0]=4 17643 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1I)Cl 1458a_100000739379_100000743108 [0,2,0,0,0,0|2,0,0]=4 17644 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1I)F 1458a_100000748905_100000743108 [0,2,0,0,0,0|2,0,0]=4 17645 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1I)I 1458a_100000750460_100000743108 [0,2,0,0,0,0|2,0,0]=4 17646 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1I)O 1458a_200009995701_100000743108 [0,2,0,0,0,0|2,0,0]=4 17647 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000743108 [0,2,0,0,0,0|2,0,0]=4 17648 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000743108 [0,2,0,0,0,0|2,0,0]=4 17649 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000743108 [0,2,0,0,0,0|2,0,0]=4 17650 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000743108 [0,2,0,0,0,0|2,0,0]=4 17651 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000743108 [0,2,0,0,0,0|2,0,0]=4 17652 B17R1.9248 CCCCOCCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000743108 [0,2,0,0,0,0|2,0,0]=4 17653 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)Br 1626a_100161115042_100000690610 [0,2,0,0,0,0|2,0,0]=4 17654 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)Br 240690a_100161115042_100000690610 [0,2,0,0,0,0|2,0,0]=4 17655 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)Br 527a_100161115042_100000690610 [0,2,0,0,0,0|2,0,0]=4 17656 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)C 1626a_100161115042_100000689033 [0,2,0,0,0,0|2,0,0]=4 17657 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)C 240690a_100161115042_100000689033 [0,2,0,0,0,0|2,0,0]=4 17658 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)C 527a_100161115042_100000689033 [0,2,0,0,0,0|2,0,0]=4 17659 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)Cl 1626a_100161115042_100000736951 [0,2,0,0,0,0|2,0,0]=4 17660 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)Cl 240690a_100161115042_100000736951 [0,2,0,0,0,0|2,0,0]=4 17661 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)Cl 527a_100161115042_100000736951 [0,2,0,0,0,0|2,0,0]=4 17662 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)F 1626a_100161115042_100000212315 [0,2,0,0,0,0|2,0,0]=4 17663 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)F 240690a_100161115042_100000212315 [0,2,0,0,0,0|2,0,0]=4 17664 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)F 34a_200000206141_100000210303 [0,2,0,0,0,0|2,0,0]=4 17665 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)F 527a_100161115042_100000212315 [0,2,0,0,0,0|2,0,0]=4 17666 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)F 7a_200000206141_100000210303 [0,2,0,0,0,0|2,0,0]=4 17667 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)I 1626a_100161115042_100000698340 [0,2,0,0,0,0|2,0,0]=4 17668 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)I 240690a_100161115042_100000698340 [0,2,0,0,0,0|2,0,0]=4 17669 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)I 527a_100161115042_100000698340 [0,2,0,0,0,0|2,0,0]=4 17670 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)O 240690a_100161115042_100012352043 [0,2,0,0,0,0|2,0,0]=4 17671 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Br)O 527a_100161115042_100012352043 [0,2,0,0,0,0|2,0,0]=4 17672 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)Br 1626a_100161115042_100000759961 [0,2,0,0,0,0|2,0,0]=4 17673 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)Br 240690a_100161115042_100000759961 [0,2,0,0,0,0|2,0,0]=4 17674 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)Br 527a_100161115042_100000759961 [0,2,0,0,0,0|2,0,0]=4 17675 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)C 1626a_100161115042_100000195421 [0,2,0,0,0,0|2,0,0]=4 17676 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)C 240690a_100161115042_100000195421 [0,2,0,0,0,0|2,0,0]=4 17677 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)C 527a_100161115042_100000195421 [0,2,0,0,0,0|2,0,0]=4 17678 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)Cl 1626a_100161115042_100000692595 [0,2,0,0,0,0|2,0,0]=4 17679 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)Cl 240690a_100161115042_100000692595 [0,2,0,0,0,0|2,0,0]=4 17680 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)Cl 527a_100161115042_100000692595 [0,2,0,0,0,0|2,0,0]=4 17681 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)F 1626a_100161115042_100000240043 [0,2,0,0,0,0|2,0,0]=4 17682 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)F 240690a_100161115042_100000240043 [0,2,0,0,0,0|2,0,0]=4 17683 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)F 527a_100161115042_100000240043 [0,2,0,0,0,0|2,0,0]=4 17684 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)I 1626a_100161115042_100000688012 [0,2,0,0,0,0|2,0,0]=4 17685 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)I 240690a_100161115042_100000688012 [0,2,0,0,0,0|2,0,0]=4 17686 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)I 527a_100161115042_100000688012 [0,2,0,0,0,0|2,0,0]=4 17687 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1C)O 240690a_100161115042_100000687834 [0,2,0,0,0,0|2,0,0]=4 17688 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)Br 1626a_100161115042_100000211212 [0,2,0,0,0,0|2,0,0]=4 17689 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)Br 240690a_100161115042_100000211212 [0,2,0,0,0,0|2,0,0]=4 17690 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)Br 527a_100161115042_100000211212 [0,2,0,0,0,0|2,0,0]=4 17691 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)C 1626a_100161115042_100011290873 [0,2,0,0,0,0|2,0,0]=4 17692 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)C 240690a_100161115042_100011290873 [0,2,0,0,0,0|2,0,0]=4 17693 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)C 527a_100161115042_100011290873 [0,2,0,0,0,0|2,0,0]=4 17694 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)Cl 1626a_100161115042_100000210642 [0,2,0,0,0,0|2,0,0]=4 17695 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)Cl 240690a_100161115042_100000210642 [0,2,0,0,0,0|2,0,0]=4 17696 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)Cl 527a_100161115042_100000210642 [0,2,0,0,0,0|2,0,0]=4 17697 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)F 1626a_100161115042_100011219680 [0,2,0,0,0,0|2,0,0]=4 17698 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)F 240690a_100161115042_100011219680 [0,2,0,0,0,0|2,0,0]=4 17699 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)F 527a_100161115042_100011219680 [0,2,0,0,0,0|2,0,0]=4 17700 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)I 1626a_100161115042_100000688013 [0,2,0,0,0,0|2,0,0]=4 17701 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)I 240690a_100161115042_100000688013 [0,2,0,0,0,0|2,0,0]=4 17702 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)I 527a_100161115042_100000688013 [0,2,0,0,0,0|2,0,0]=4 17703 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)O 240690a_100161115042_100000719527 [0,2,0,0,0,0|2,0,0]=4 17704 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1Cl)O 527a_100161115042_100000719527 [0,2,0,0,0,0|2,0,0]=4 17705 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)Br 1626a_100161115042_100000212322 [0,2,0,0,0,0|2,0,0]=4 17706 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)Br 240690a_100161115042_100000212322 [0,2,0,0,0,0|2,0,0]=4 17707 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)Br 527a_100161115042_100000212322 [0,2,0,0,0,0|2,0,0]=4 17708 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)C 1626a_100161115042_100000749327 [0,2,0,0,0,0|2,0,0]=4 17709 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)C 240690a_100161115042_100000749327 [0,2,0,0,0,0|2,0,0]=4 17710 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)C 527a_100161115042_100000749327 [0,2,0,0,0,0|2,0,0]=4 17711 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)Cl 1626a_100161115042_100000214954 [0,2,0,0,0,0|2,0,0]=4 17712 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)Cl 240690a_100161115042_100000214954 [0,2,0,0,0,0|2,0,0]=4 17713 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)Cl 527a_100161115042_100000214954 [0,2,0,0,0,0|2,0,0]=4 17714 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)F 1626a_100161115042_100000198512 [0,2,0,0,0,0|2,0,0]=4 17715 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)F 240690a_100161115042_100000198512 [0,2,0,0,0,0|2,0,0]=4 17716 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)F 527a_100161115042_100000198512 [0,2,0,0,0,0|2,0,0]=4 17717 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)I 1626a_100161115042_100000688014 [0,2,0,0,0,0|2,0,0]=4 17718 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)I 240690a_100161115042_100000688014 [0,2,0,0,0,0|2,0,0]=4 17719 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)I 527a_100161115042_100000688014 [0,2,0,0,0,0|2,0,0]=4 17720 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)O 240690a_100161115042_100000037260 [0,2,0,0,0,0|2,0,0]=4 17721 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1F)O 527a_100161115042_100000037260 [0,2,0,0,0,0|2,0,0]=4 17722 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)Br 1626a_100161115042_100000183945 [0,2,0,0,0,0|2,0,0]=4 17723 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)Br 240690a_100161115042_100000183945 [0,2,0,0,0,0|2,0,0]=4 17724 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)C 1626a_100161115042_100000057929 [0,2,0,0,0,0|2,0,0]=4 17725 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)C 240690a_100161115042_100000057929 [0,2,0,0,0,0|2,0,0]=4 17726 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)C 527a_100161115042_100000057929 [0,2,0,0,0,0|2,0,0]=4 17727 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)Cl 1626a_100161115042_100000739379 [0,2,0,0,0,0|2,0,0]=4 17728 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)Cl 240690a_100161115042_100000739379 [0,2,0,0,0,0|2,0,0]=4 17729 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)Cl 527a_100161115042_100000739379 [0,2,0,0,0,0|2,0,0]=4 17730 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)F 1626a_100161115042_100000748905 [0,2,0,0,0,0|2,0,0]=4 17731 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)F 240690a_100161115042_100000748905 [0,2,0,0,0,0|2,0,0]=4 17732 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)F 527a_100161115042_100000748905 [0,2,0,0,0,0|2,0,0]=4 17733 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)I 1626a_100161115042_100000750460 [0,2,0,0,0,0|2,0,0]=4 17734 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)I 240690a_100161115042_100000750460 [0,2,0,0,0,0|2,0,0]=4 17735 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)I 527a_100161115042_100000750460 [0,2,0,0,0,0|2,0,0]=4 17736 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)O 1626a_100161115042_200009995701 [0,2,0,0,0,0|2,0,0]=4 17737 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)O 240690a_100161115042_200009995701 [0,2,0,0,0,0|2,0,0]=4 17738 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1I)O 527a_100161115042_200009995701 [0,2,0,0,0,0|2,0,0]=4 17739 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)Br 1626a_100161115042_100000212140 [0,2,0,0,0,0|2,0,0]=4 17740 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)Br 240690a_100161115042_100000212140 [0,2,0,0,0,0|2,0,0]=4 17741 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)Br 527a_100161115042_100000212140 [0,2,0,0,0,0|2,0,0]=4 17742 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)C 240690a_100161115042_100000229998 [0,2,0,0,0,0|2,0,0]=4 17743 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)C 527a_100161115042_100000229998 [0,2,0,0,0,0|2,0,0]=4 17744 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)Cl 1626a_100161115042_100000212143 [0,2,0,0,0,0|2,0,0]=4 17745 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)Cl 240690a_100161115042_100000212143 [0,2,0,0,0,0|2,0,0]=4 17746 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)Cl 527a_100161115042_100000212143 [0,2,0,0,0,0|2,0,0]=4 17747 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)F 240690a_100161115042_100000742286 [0,2,0,0,0,0|2,0,0]=4 17748 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)F 527a_100161115042_100000742286 [0,2,0,0,0,0|2,0,0]=4 17749 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)I 240690a_100161115042_100000212111 [0,2,0,0,0,0|2,0,0]=4 17750 B17R1.9248 CCCOCCNC(=O)c1cc(ccc1O)I 527a_100161115042_100000212111 [0,2,0,0,0,0|2,0,0]=4 17751 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)Br 11a_100020603323_100000690610 [0,2,0,0,0,0|2,0,0]=4 17752 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)Br 240690a_100020603323_100000690610 [0,2,0,0,0,0|2,0,0]=4 17753 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)Br 527a_100020603323_100000690610 [0,2,0,0,0,0|2,0,0]=4 17754 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)C 11a_100020603323_100000689033 [0,2,0,0,0,0|2,0,0]=4 17755 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)C 240690a_100020603323_100000689033 [0,2,0,0,0,0|2,0,0]=4 17756 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)C 527a_100020603323_100000689033 [0,2,0,0,0,0|2,0,0]=4 17757 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)Cl 11a_100020603323_100000736951 [0,2,0,0,0,0|2,0,0]=4 17758 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)Cl 240690a_100020603323_100000736951 [0,2,0,0,0,0|2,0,0]=4 17759 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)Cl 527a_100020603323_100000736951 [0,2,0,0,0,0|2,0,0]=4 17760 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)F 11a_100020603323_100000212315 [0,2,0,0,0,0|2,0,0]=4 17761 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)F 240690a_100020603323_100000212315 [0,2,0,0,0,0|2,0,0]=4 17762 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)F 527a_100020603323_100000212315 [0,2,0,0,0,0|2,0,0]=4 17763 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)I 11a_100020603323_100000698340 [0,2,0,0,0,0|2,0,0]=4 17764 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)I 240690a_100020603323_100000698340 [0,2,0,0,0,0|2,0,0]=4 17765 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)I 527a_100020603323_100000698340 [0,2,0,0,0,0|2,0,0]=4 17766 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)O 240690a_100020603323_100012352043 [0,2,0,0,0,0|2,0,0]=4 17767 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Br)O 527a_100020603323_100012352043 [0,2,0,0,0,0|2,0,0]=4 17768 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)Br 11a_100020603323_100000759961 [0,2,0,0,0,0|2,0,0]=4 17769 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)Br 240690a_100020603323_100000759961 [0,2,0,0,0,0|2,0,0]=4 17770 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)Br 527a_100020603323_100000759961 [0,2,0,0,0,0|2,0,0]=4 17771 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)C 11a_100020603323_100000195421 [0,2,0,0,0,0|2,0,0]=4 17772 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)C 240690a_100020603323_100000195421 [0,2,0,0,0,0|2,0,0]=4 17773 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)C 527a_100020603323_100000195421 [0,2,0,0,0,0|2,0,0]=4 17774 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)Cl 11a_100020603323_100000692595 [0,2,0,0,0,0|2,0,0]=4 17775 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)Cl 240690a_100020603323_100000692595 [0,2,0,0,0,0|2,0,0]=4 17776 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)Cl 527a_100020603323_100000692595 [0,2,0,0,0,0|2,0,0]=4 17777 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)F 11a_100020603323_100000240043 [0,2,0,0,0,0|2,0,0]=4 17778 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)F 240690a_100020603323_100000240043 [0,2,0,0,0,0|2,0,0]=4 17779 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)F 527a_100020603323_100000240043 [0,2,0,0,0,0|2,0,0]=4 17780 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)I 11a_100020603323_100000688012 [0,2,0,0,0,0|2,0,0]=4 17781 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)I 240690a_100020603323_100000688012 [0,2,0,0,0,0|2,0,0]=4 17782 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)I 527a_100020603323_100000688012 [0,2,0,0,0,0|2,0,0]=4 17783 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1C)O 240690a_100020603323_100000687834 [0,2,0,0,0,0|2,0,0]=4 17784 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)Br 11a_100020603323_100000211212 [0,2,0,0,0,0|2,0,0]=4 17785 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)Br 240690a_100020603323_100000211212 [0,2,0,0,0,0|2,0,0]=4 17786 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)Br 527a_100020603323_100000211212 [0,2,0,0,0,0|2,0,0]=4 17787 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)C 11a_100020603323_100011290873 [0,2,0,0,0,0|2,0,0]=4 17788 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)C 240690a_100020603323_100011290873 [0,2,0,0,0,0|2,0,0]=4 17789 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)C 527a_100020603323_100011290873 [0,2,0,0,0,0|2,0,0]=4 17790 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)Cl 11a_100020603323_100000210642 [0,2,0,0,0,0|2,0,0]=4 17791 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)Cl 240690a_100020603323_100000210642 [0,2,0,0,0,0|2,0,0]=4 17792 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)Cl 527a_100020603323_100000210642 [0,2,0,0,0,0|2,0,0]=4 17793 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)F 11a_100020603323_100011219680 [0,2,0,0,0,0|2,0,0]=4 17794 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)F 240690a_100020603323_100011219680 [0,2,0,0,0,0|2,0,0]=4 17795 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)F 527a_100020603323_100011219680 [0,2,0,0,0,0|2,0,0]=4 17796 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)I 11a_100020603323_100000688013 [0,2,0,0,0,0|2,0,0]=4 17797 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)I 240690a_100020603323_100000688013 [0,2,0,0,0,0|2,0,0]=4 17798 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)I 527a_100020603323_100000688013 [0,2,0,0,0,0|2,0,0]=4 17799 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)O 240690a_100020603323_100000719527 [0,2,0,0,0,0|2,0,0]=4 17800 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1Cl)O 527a_100020603323_100000719527 [0,2,0,0,0,0|2,0,0]=4 17801 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)Br 11a_100020603323_100000212322 [0,2,0,0,0,0|2,0,0]=4 17802 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)Br 240690a_100020603323_100000212322 [0,2,0,0,0,0|2,0,0]=4 17803 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)Br 527a_100020603323_100000212322 [0,2,0,0,0,0|2,0,0]=4 17804 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)C 11a_100020603323_100000749327 [0,2,0,0,0,0|2,0,0]=4 17805 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)C 240690a_100020603323_100000749327 [0,2,0,0,0,0|2,0,0]=4 17806 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)C 527a_100020603323_100000749327 [0,2,0,0,0,0|2,0,0]=4 17807 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)Cl 11a_100020603323_100000214954 [0,2,0,0,0,0|2,0,0]=4 17808 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)Cl 240690a_100020603323_100000214954 [0,2,0,0,0,0|2,0,0]=4 17809 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)Cl 527a_100020603323_100000214954 [0,2,0,0,0,0|2,0,0]=4 17810 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)F 11a_100020603323_100000198512 [0,2,0,0,0,0|2,0,0]=4 17811 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)F 240690a_100020603323_100000198512 [0,2,0,0,0,0|2,0,0]=4 17812 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)F 527a_100020603323_100000198512 [0,2,0,0,0,0|2,0,0]=4 17813 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)I 11a_100020603323_100000688014 [0,2,0,0,0,0|2,0,0]=4 17814 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)I 240690a_100020603323_100000688014 [0,2,0,0,0,0|2,0,0]=4 17815 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)I 527a_100020603323_100000688014 [0,2,0,0,0,0|2,0,0]=4 17816 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)O 240690a_100020603323_100000037260 [0,2,0,0,0,0|2,0,0]=4 17817 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1F)O 527a_100020603323_100000037260 [0,2,0,0,0,0|2,0,0]=4 17818 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)Br 11a_100020603323_100000183945 [0,2,0,0,0,0|2,0,0]=4 17819 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)Br 240690a_100020603323_100000183945 [0,2,0,0,0,0|2,0,0]=4 17820 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)C 11a_100020603323_100000057929 [0,2,0,0,0,0|2,0,0]=4 17821 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)C 240690a_100020603323_100000057929 [0,2,0,0,0,0|2,0,0]=4 17822 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)C 527a_100020603323_100000057929 [0,2,0,0,0,0|2,0,0]=4 17823 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)Cl 11a_100020603323_100000739379 [0,2,0,0,0,0|2,0,0]=4 17824 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)Cl 240690a_100020603323_100000739379 [0,2,0,0,0,0|2,0,0]=4 17825 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)Cl 527a_100020603323_100000739379 [0,2,0,0,0,0|2,0,0]=4 17826 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)F 11a_100020603323_100000748905 [0,2,0,0,0,0|2,0,0]=4 17827 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)F 240690a_100020603323_100000748905 [0,2,0,0,0,0|2,0,0]=4 17828 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)F 527a_100020603323_100000748905 [0,2,0,0,0,0|2,0,0]=4 17829 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)I 11a_100020603323_100000750460 [0,2,0,0,0,0|2,0,0]=4 17830 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)I 240690a_100020603323_100000750460 [0,2,0,0,0,0|2,0,0]=4 17831 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)I 527a_100020603323_100000750460 [0,2,0,0,0,0|2,0,0]=4 17832 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)O 240690a_100020603323_200009995701 [0,2,0,0,0,0|2,0,0]=4 17833 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1I)O 527a_100020603323_200009995701 [0,2,0,0,0,0|2,0,0]=4 17834 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)Br 240690a_100020603323_100000212140 [0,2,0,0,0,0|2,0,0]=4 17835 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)Br 527a_100020603323_100000212140 [0,2,0,0,0,0|2,0,0]=4 17836 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)C 240690a_100020603323_100000229998 [0,2,0,0,0,0|2,0,0]=4 17837 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)C 527a_100020603323_100000229998 [0,2,0,0,0,0|2,0,0]=4 17838 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)Cl 11a_100020603323_100000212143 [0,2,0,0,0,0|2,0,0]=4 17839 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)Cl 240690a_100020603323_100000212143 [0,2,0,0,0,0|2,0,0]=4 17840 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)Cl 527a_100020603323_100000212143 [0,2,0,0,0,0|2,0,0]=4 17841 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)F 240690a_100020603323_100000742286 [0,2,0,0,0,0|2,0,0]=4 17842 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)F 527a_100020603323_100000742286 [0,2,0,0,0,0|2,0,0]=4 17843 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)I 240690a_100020603323_100000212111 [0,2,0,0,0,0|2,0,0]=4 17844 B17R1.9248 CCCSCCNC(=O)c1cc(ccc1O)I 527a_100020603323_100000212111 [0,2,0,0,0,0|2,0,0]=4 17845 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Br 11a_100000210961_100000690610 [0,2,0,0,0,0|2,0,0]=4 17846 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Br 1626a_100000210961_100000690610 [0,2,0,0,0,0|2,0,0]=4 17847 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Br 240690a_100000210961_100000690610 [0,2,0,0,0,0|2,0,0]=4 17848 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Br 527a_100000210961_100000690610 [0,2,0,0,0,0|2,0,0]=4 17849 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)C 11a_100000210961_100000689033 [0,2,0,0,0,0|2,0,0]=4 17850 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)C 1626a_100000210961_100000689033 [0,2,0,0,0,0|2,0,0]=4 17851 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)C 240690a_100000210961_100000689033 [0,2,0,0,0,0|2,0,0]=4 17852 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)C 527a_100000210961_100000689033 [0,2,0,0,0,0|2,0,0]=4 17853 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Cl 11a_100000210961_100000736951 [0,2,0,0,0,0|2,0,0]=4 17854 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Cl 1626a_100000210961_100000736951 [0,2,0,0,0,0|2,0,0]=4 17855 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Cl 240690a_100000210961_100000736951 [0,2,0,0,0,0|2,0,0]=4 17856 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)Cl 527a_100000210961_100000736951 [0,2,0,0,0,0|2,0,0]=4 17857 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)F 11a_100000210961_100000212315 [0,2,0,0,0,0|2,0,0]=4 17858 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)F 1626a_100000210961_100000212315 [0,2,0,0,0,0|2,0,0]=4 17859 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)F 240690a_100000210961_100000212315 [0,2,0,0,0,0|2,0,0]=4 17860 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)F 527a_100000210961_100000212315 [0,2,0,0,0,0|2,0,0]=4 17861 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)I 11a_100000210961_100000698340 [0,2,0,0,0,0|2,0,0]=4 17862 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)I 1626a_100000210961_100000698340 [0,2,0,0,0,0|2,0,0]=4 17863 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)I 240690a_100000210961_100000698340 [0,2,0,0,0,0|2,0,0]=4 17864 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)I 527a_100000210961_100000698340 [0,2,0,0,0,0|2,0,0]=4 17865 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)O 240690a_100000210961_100012352043 [0,2,0,0,0,0|2,0,0]=4 17866 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Br)O 527a_100000210961_100012352043 [0,2,0,0,0,0|2,0,0]=4 17867 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Br 11a_100000210961_100000759961 [0,2,0,0,0,0|2,0,0]=4 17868 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Br 1626a_100000210961_100000759961 [0,2,0,0,0,0|2,0,0]=4 17869 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Br 240690a_100000210961_100000759961 [0,2,0,0,0,0|2,0,0]=4 17870 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Br 527a_100000210961_100000759961 [0,2,0,0,0,0|2,0,0]=4 17871 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)C 11a_100000210961_100000195421 [0,2,0,0,0,0|2,0,0]=4 17872 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)C 1626a_100000210961_100000195421 [0,2,0,0,0,0|2,0,0]=4 17873 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)C 240690a_100000210961_100000195421 [0,2,0,0,0,0|2,0,0]=4 17874 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)C 527a_100000210961_100000195421 [0,2,0,0,0,0|2,0,0]=4 17875 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Cl 11a_100000210961_100000692595 [0,2,0,0,0,0|2,0,0]=4 17876 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Cl 1626a_100000210961_100000692595 [0,2,0,0,0,0|2,0,0]=4 17877 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Cl 240690a_100000210961_100000692595 [0,2,0,0,0,0|2,0,0]=4 17878 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)Cl 527a_100000210961_100000692595 [0,2,0,0,0,0|2,0,0]=4 17879 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)F 11a_100000210961_100000240043 [0,2,0,0,0,0|2,0,0]=4 17880 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)F 1626a_100000210961_100000240043 [0,2,0,0,0,0|2,0,0]=4 17881 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)F 240690a_100000210961_100000240043 [0,2,0,0,0,0|2,0,0]=4 17882 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)F 527a_100000210961_100000240043 [0,2,0,0,0,0|2,0,0]=4 17883 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)I 11a_100000210961_100000688012 [0,2,0,0,0,0|2,0,0]=4 17884 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)I 1626a_100000210961_100000688012 [0,2,0,0,0,0|2,0,0]=4 17885 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)I 240690a_100000210961_100000688012 [0,2,0,0,0,0|2,0,0]=4 17886 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)I 527a_100000210961_100000688012 [0,2,0,0,0,0|2,0,0]=4 17887 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1C)O 240690a_100000210961_100000687834 [0,2,0,0,0,0|2,0,0]=4 17888 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Br 11a_100000210961_100000211212 [0,2,0,0,0,0|2,0,0]=4 17889 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Br 1626a_100000210961_100000211212 [0,2,0,0,0,0|2,0,0]=4 17890 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Br 240690a_100000210961_100000211212 [0,2,0,0,0,0|2,0,0]=4 17891 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Br 527a_100000210961_100000211212 [0,2,0,0,0,0|2,0,0]=4 17892 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)C 11a_100000210961_100011290873 [0,2,0,0,0,0|2,0,0]=4 17893 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)C 1626a_100000210961_100011290873 [0,2,0,0,0,0|2,0,0]=4 17894 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)C 240690a_100000210961_100011290873 [0,2,0,0,0,0|2,0,0]=4 17895 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)C 527a_100000210961_100011290873 [0,2,0,0,0,0|2,0,0]=4 17896 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Cl 11a_100000210961_100000210642 [0,2,0,0,0,0|2,0,0]=4 17897 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Cl 1626a_100000210961_100000210642 [0,2,0,0,0,0|2,0,0]=4 17898 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Cl 240690a_100000210961_100000210642 [0,2,0,0,0,0|2,0,0]=4 17899 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)Cl 527a_100000210961_100000210642 [0,2,0,0,0,0|2,0,0]=4 17900 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)F 11a_100000210961_100011219680 [0,2,0,0,0,0|2,0,0]=4 17901 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)F 1626a_100000210961_100011219680 [0,2,0,0,0,0|2,0,0]=4 17902 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)F 240690a_100000210961_100011219680 [0,2,0,0,0,0|2,0,0]=4 17903 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)F 527a_100000210961_100011219680 [0,2,0,0,0,0|2,0,0]=4 17904 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)I 11a_100000210961_100000688013 [0,2,0,0,0,0|2,0,0]=4 17905 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)I 1626a_100000210961_100000688013 [0,2,0,0,0,0|2,0,0]=4 17906 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)I 240690a_100000210961_100000688013 [0,2,0,0,0,0|2,0,0]=4 17907 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)I 527a_100000210961_100000688013 [0,2,0,0,0,0|2,0,0]=4 17908 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)O 240690a_100000210961_100000719527 [0,2,0,0,0,0|2,0,0]=4 17909 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1Cl)O 527a_100000210961_100000719527 [0,2,0,0,0,0|2,0,0]=4 17910 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Br 11a_100000210961_100000212322 [0,2,0,0,0,0|2,0,0]=4 17911 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Br 1626a_100000210961_100000212322 [0,2,0,0,0,0|2,0,0]=4 17912 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Br 240690a_100000210961_100000212322 [0,2,0,0,0,0|2,0,0]=4 17913 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Br 527a_100000210961_100000212322 [0,2,0,0,0,0|2,0,0]=4 17914 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)C 11a_100000210961_100000749327 [0,2,0,0,0,0|2,0,0]=4 17915 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)C 1626a_100000210961_100000749327 [0,2,0,0,0,0|2,0,0]=4 17916 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)C 240690a_100000210961_100000749327 [0,2,0,0,0,0|2,0,0]=4 17917 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)C 527a_100000210961_100000749327 [0,2,0,0,0,0|2,0,0]=4 17918 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Cl 11a_100000210961_100000214954 [0,2,0,0,0,0|2,0,0]=4 17919 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Cl 1626a_100000210961_100000214954 [0,2,0,0,0,0|2,0,0]=4 17920 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Cl 240690a_100000210961_100000214954 [0,2,0,0,0,0|2,0,0]=4 17921 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)Cl 527a_100000210961_100000214954 [0,2,0,0,0,0|2,0,0]=4 17922 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)F 11a_100000210961_100000198512 [0,2,0,0,0,0|2,0,0]=4 17923 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)F 1626a_100000210961_100000198512 [0,2,0,0,0,0|2,0,0]=4 17924 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)F 240690a_100000210961_100000198512 [0,2,0,0,0,0|2,0,0]=4 17925 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)F 527a_100000210961_100000198512 [0,2,0,0,0,0|2,0,0]=4 17926 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)I 11a_100000210961_100000688014 [0,2,0,0,0,0|2,0,0]=4 17927 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)I 1626a_100000210961_100000688014 [0,2,0,0,0,0|2,0,0]=4 17928 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)I 240690a_100000210961_100000688014 [0,2,0,0,0,0|2,0,0]=4 17929 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)I 527a_100000210961_100000688014 [0,2,0,0,0,0|2,0,0]=4 17930 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)O 240690a_100000210961_100000037260 [0,2,0,0,0,0|2,0,0]=4 17931 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1F)O 527a_100000210961_100000037260 [0,2,0,0,0,0|2,0,0]=4 17932 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Br 11a_100000210961_100000183945 [0,2,0,0,0,0|2,0,0]=4 17933 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Br 1626a_100000210961_100000183945 [0,2,0,0,0,0|2,0,0]=4 17934 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Br 240690a_100000210961_100000183945 [0,2,0,0,0,0|2,0,0]=4 17935 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)C 11a_100000210961_100000057929 [0,2,0,0,0,0|2,0,0]=4 17936 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)C 1626a_100000210961_100000057929 [0,2,0,0,0,0|2,0,0]=4 17937 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)C 240690a_100000210961_100000057929 [0,2,0,0,0,0|2,0,0]=4 17938 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)C 527a_100000210961_100000057929 [0,2,0,0,0,0|2,0,0]=4 17939 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Cl 11a_100000210961_100000739379 [0,2,0,0,0,0|2,0,0]=4 17940 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Cl 1626a_100000210961_100000739379 [0,2,0,0,0,0|2,0,0]=4 17941 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Cl 240690a_100000210961_100000739379 [0,2,0,0,0,0|2,0,0]=4 17942 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)Cl 527a_100000210961_100000739379 [0,2,0,0,0,0|2,0,0]=4 17943 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)F 11a_100000210961_100000748905 [0,2,0,0,0,0|2,0,0]=4 17944 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)F 1626a_100000210961_100000748905 [0,2,0,0,0,0|2,0,0]=4 17945 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)F 240690a_100000210961_100000748905 [0,2,0,0,0,0|2,0,0]=4 17946 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)F 527a_100000210961_100000748905 [0,2,0,0,0,0|2,0,0]=4 17947 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)I 11a_100000210961_100000750460 [0,2,0,0,0,0|2,0,0]=4 17948 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)I 1626a_100000210961_100000750460 [0,2,0,0,0,0|2,0,0]=4 17949 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)I 240690a_100000210961_100000750460 [0,2,0,0,0,0|2,0,0]=4 17950 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)I 527a_100000210961_100000750460 [0,2,0,0,0,0|2,0,0]=4 17951 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)O 1626a_100000210961_200009995701 [0,2,0,0,0,0|2,0,0]=4 17952 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)O 240690a_100000210961_200009995701 [0,2,0,0,0,0|2,0,0]=4 17953 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1I)O 527a_100000210961_200009995701 [0,2,0,0,0,0|2,0,0]=4 17954 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Br 1626a_100000210961_100000212140 [0,2,0,0,0,0|2,0,0]=4 17955 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Br 240690a_100000210961_100000212140 [0,2,0,0,0,0|2,0,0]=4 17956 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Br 527a_100000210961_100000212140 [0,2,0,0,0,0|2,0,0]=4 17957 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)C 240690a_100000210961_100000229998 [0,2,0,0,0,0|2,0,0]=4 17958 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)C 527a_100000210961_100000229998 [0,2,0,0,0,0|2,0,0]=4 17959 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Cl 11a_100000210961_100000212143 [0,2,0,0,0,0|2,0,0]=4 17960 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Cl 1626a_100000210961_100000212143 [0,2,0,0,0,0|2,0,0]=4 17961 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Cl 240690a_100000210961_100000212143 [0,2,0,0,0,0|2,0,0]=4 17962 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)Cl 527a_100000210961_100000212143 [0,2,0,0,0,0|2,0,0]=4 17963 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)F 240690a_100000210961_100000742286 [0,2,0,0,0,0|2,0,0]=4 17964 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)F 527a_100000210961_100000742286 [0,2,0,0,0,0|2,0,0]=4 17965 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)I 240690a_100000210961_100000212111 [0,2,0,0,0,0|2,0,0]=4 17966 B17R1.9248 CCOCCCNC(=O)c1cc(ccc1O)I 527a_100000210961_100000212111 [0,2,0,0,0,0|2,0,0]=4 17967 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCF)Br 1458a_100000689033_100015922095 [0,2,0,0,0,0|2,0,0]=4 17968 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCF)C 1458a_100000195421_100015922095 [0,2,0,0,0,0|2,0,0]=4 17969 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCF)Cl 1458a_100011290873_100015922095 [0,2,0,0,0,0|2,0,0]=4 17970 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCF)F 1458a_100000749327_100015922095 [0,2,0,0,0,0|2,0,0]=4 17971 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCF)I 1458a_100000057929_100015922095 [0,2,0,0,0,0|2,0,0]=4 17972 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCF)O 1458a_100000229998_100015922095 [0,2,0,0,0,0|2,0,0]=4 17973 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCO)Br 1458a_100000689033_100000766143 [0,2,0,0,0,0|2,0,0]=4 17974 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCO)C 1458a_100000195421_100000766143 [0,2,0,0,0,0|2,0,0]=4 17975 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCO)Cl 1458a_100011290873_100000766143 [0,2,0,0,0,0|2,0,0]=4 17976 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCO)F 1458a_100000749327_100000766143 [0,2,0,0,0,0|2,0,0]=4 17977 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCO)I 1458a_100000057929_100000766143 [0,2,0,0,0,0|2,0,0]=4 17978 B17R1.9248 Cc1ccc(c(c1)C(=O)CCCCCCO)O 1458a_100000229998_100000766143 [0,2,0,0,0,0|2,0,0]=4 17979 B17R1.9248 Cc1ccc(c(c1)C(=O)NCCCCCO)Br 240690a_100000762737_100000689033 [0,2,0,0,0,0|2,0,0]=4 17980 B17R1.9248 Cc1ccc(c(c1)C(=O)NCCCCCO)C 240690a_100000762737_100000195421 [0,2,0,0,0,0|2,0,0]=4 17981 B17R1.9248 Cc1ccc(c(c1)C(=O)NCCCCCO)Cl 240690a_100000762737_100011290873 [0,2,0,0,0,0|2,0,0]=4 17982 B17R1.9248 Cc1ccc(c(c1)C(=O)NCCCCCO)F 240690a_100000762737_100000749327 [0,2,0,0,0,0|2,0,0]=4 17983 B17R1.9248 Cc1ccc(c(c1)C(=O)NCCCCCO)I 240690a_100000762737_100000057929 [0,2,0,0,0,0|2,0,0]=4 17984 B17R1.9248 Cc1ccc(c(c1)C(=O)NCCCCCO)O 240690a_100000762737_100000229998 [0,2,0,0,0,0|2,0,0]=4 17985 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCF)Br 1458a_100000759961_100015922095 [0,2,0,0,0,0|2,0,0]=4 17986 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCF)Cl 1458a_100000692595_100015922095 [0,2,0,0,0,0|2,0,0]=4 17987 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCF)F 1458a_100000240043_100015922095 [0,2,0,0,0,0|2,0,0]=4 17988 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCF)I 1458a_100000688012_100015922095 [0,2,0,0,0,0|2,0,0]=4 17989 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCF)O 1458a_100000687834_100015922095 [0,2,0,0,0,0|2,0,0]=4 17990 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCO)Br 1458a_100000759961_100000766143 [0,2,0,0,0,0|2,0,0]=4 17991 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCO)Cl 1458a_100000692595_100000766143 [0,2,0,0,0,0|2,0,0]=4 17992 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCO)F 1458a_100000240043_100000766143 [0,2,0,0,0,0|2,0,0]=4 17993 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCO)I 1458a_100000688012_100000766143 [0,2,0,0,0,0|2,0,0]=4 17994 B17R1.9248 Cc1ccc(cc1C(=O)CCCCCCO)O 1458a_100000687834_100000766143 [0,2,0,0,0,0|2,0,0]=4 17995 B17R1.9248 Cc1ccc(cc1C(=O)NCCCCCO)Br 240690a_100000762737_100000759961 [0,2,0,0,0,0|2,0,0]=4 17996 B17R1.9248 Cc1ccc(cc1C(=O)NCCCCCO)Cl 240690a_100000762737_100000692595 [0,2,0,0,0,0|2,0,0]=4 17997 B17R1.9248 Cc1ccc(cc1C(=O)NCCCCCO)F 240690a_100000762737_100000240043 [0,2,0,0,0,0|2,0,0]=4 17998 B17R1.9248 Cc1ccc(cc1C(=O)NCCCCCO)I 240690a_100000762737_100000688012 [0,2,0,0,0,0|2,0,0]=4 17999 B17R1.9248 Cc1ccc(cc1C(=O)NCCCCCO)O 240690a_100000762737_100000687834 [0,2,0,0,0,0|2,0,0]=4 18000 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Br)Br 1458a_100000690610_100015922095 [0,2,0,0,0,0|2,0,0]=4 18001 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Br)Cl 1458a_100000736951_100015922095 [0,2,0,0,0,0|2,0,0]=4 18002 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Br)F 1458a_100000212315_100015922095 [0,2,0,0,0,0|2,0,0]=4 18003 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Br)I 1458a_100000698340_100015922095 [0,2,0,0,0,0|2,0,0]=4 18004 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Br)O 1458a_100012352043_100015922095 [0,2,0,0,0,0|2,0,0]=4 18005 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Cl)Br 1458a_100000211212_100015922095 [0,2,0,0,0,0|2,0,0]=4 18006 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Cl)Cl 1458a_100000210642_100015922095 [0,2,0,0,0,0|2,0,0]=4 18007 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Cl)F 1458a_100011219680_100015922095 [0,2,0,0,0,0|2,0,0]=4 18008 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Cl)I 1458a_100000688013_100015922095 [0,2,0,0,0,0|2,0,0]=4 18009 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1Cl)O 1458a_100000719527_100015922095 [0,2,0,0,0,0|2,0,0]=4 18010 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1F)Br 1458a_100000212322_100015922095 [0,2,0,0,0,0|2,0,0]=4 18011 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1F)Cl 1458a_100000214954_100015922095 [0,2,0,0,0,0|2,0,0]=4 18012 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1F)F 1458a_100000198512_100015922095 [0,2,0,0,0,0|2,0,0]=4 18013 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1F)I 1458a_100000688014_100015922095 [0,2,0,0,0,0|2,0,0]=4 18014 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1F)O 1458a_100000037260_100015922095 [0,2,0,0,0,0|2,0,0]=4 18015 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1I)Br 1458a_100000183945_100015922095 [0,2,0,0,0,0|2,0,0]=4 18016 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1I)Cl 1458a_100000739379_100015922095 [0,2,0,0,0,0|2,0,0]=4 18017 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1I)F 1458a_100000748905_100015922095 [0,2,0,0,0,0|2,0,0]=4 18018 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1I)I 1458a_100000750460_100015922095 [0,2,0,0,0,0|2,0,0]=4 18019 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1I)O 1458a_200009995701_100015922095 [0,2,0,0,0,0|2,0,0]=4 18020 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1O)Br 1458a_100000212140_100015922095 [0,2,0,0,0,0|2,0,0]=4 18021 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1O)Cl 1458a_100000212143_100015922095 [0,2,0,0,0,0|2,0,0]=4 18022 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1O)F 1458a_100000742286_100015922095 [0,2,0,0,0,0|2,0,0]=4 18023 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1O)I 1458a_100000212111_100015922095 [0,2,0,0,0,0|2,0,0]=4 18024 B17R1.9248 O=C(CCCCCCF)c1cc(ccc1O)O 1458a_100000758025_100015922095 [0,2,0,0,0,0|2,0,0]=4 18025 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Br)Br 1458a_100000690610_100000766143 [0,2,0,0,0,0|2,0,0]=4 18026 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Br)Cl 1458a_100000736951_100000766143 [0,2,0,0,0,0|2,0,0]=4 18027 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Br)F 1458a_100000212315_100000766143 [0,2,0,0,0,0|2,0,0]=4 18028 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Br)I 1458a_100000698340_100000766143 [0,2,0,0,0,0|2,0,0]=4 18029 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Br)O 1458a_100012352043_100000766143 [0,2,0,0,0,0|2,0,0]=4 18030 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Cl)Br 1458a_100000211212_100000766143 [0,2,0,0,0,0|2,0,0]=4 18031 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Cl)Cl 1458a_100000210642_100000766143 [0,2,0,0,0,0|2,0,0]=4 18032 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Cl)F 1458a_100011219680_100000766143 [0,2,0,0,0,0|2,0,0]=4 18033 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Cl)I 1458a_100000688013_100000766143 [0,2,0,0,0,0|2,0,0]=4 18034 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1Cl)O 1458a_100000719527_100000766143 [0,2,0,0,0,0|2,0,0]=4 18035 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1F)Br 1458a_100000212322_100000766143 [0,2,0,0,0,0|2,0,0]=4 18036 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1F)Cl 1458a_100000214954_100000766143 [0,2,0,0,0,0|2,0,0]=4 18037 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1F)F 1458a_100000198512_100000766143 [0,2,0,0,0,0|2,0,0]=4 18038 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1F)I 1458a_100000688014_100000766143 [0,2,0,0,0,0|2,0,0]=4 18039 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1F)O 1458a_100000037260_100000766143 [0,2,0,0,0,0|2,0,0]=4 18040 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1I)Br 1458a_100000183945_100000766143 [0,2,0,0,0,0|2,0,0]=4 18041 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1I)Cl 1458a_100000739379_100000766143 [0,2,0,0,0,0|2,0,0]=4 18042 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1I)F 1458a_100000748905_100000766143 [0,2,0,0,0,0|2,0,0]=4 18043 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1I)I 1458a_100000750460_100000766143 [0,2,0,0,0,0|2,0,0]=4 18044 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1I)O 1458a_200009995701_100000766143 [0,2,0,0,0,0|2,0,0]=4 18045 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1O)Br 1458a_100000212140_100000766143 [0,2,0,0,0,0|2,0,0]=4 18046 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1O)Cl 1458a_100000212143_100000766143 [0,2,0,0,0,0|2,0,0]=4 18047 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1O)F 1458a_100000742286_100000766143 [0,2,0,0,0,0|2,0,0]=4 18048 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1O)I 1458a_100000212111_100000766143 [0,2,0,0,0,0|2,0,0]=4 18049 B17R1.9248 O=C(CCCCCCO)c1cc(ccc1O)O 1458a_100000758025_100000766143 [0,2,0,0,0,0|2,0,0]=4 18050 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Br)Br 240690a_100000762737_100000690610 [0,2,0,0,0,0|2,0,0]=4 18051 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Br)Cl 240690a_100000762737_100000736951 [0,2,0,0,0,0|2,0,0]=4 18052 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Br)F 240690a_100000762737_100000212315 [0,2,0,0,0,0|2,0,0]=4 18053 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Br)I 240690a_100000762737_100000698340 [0,2,0,0,0,0|2,0,0]=4 18054 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Br)O 240690a_100000762737_100012352043 [0,2,0,0,0,0|2,0,0]=4 18055 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Cl)Br 240690a_100000762737_100000211212 [0,2,0,0,0,0|2,0,0]=4 18056 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Cl)Cl 240690a_100000762737_100000210642 [0,2,0,0,0,0|2,0,0]=4 18057 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Cl)F 240690a_100000762737_100011219680 [0,2,0,0,0,0|2,0,0]=4 18058 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Cl)I 240690a_100000762737_100000688013 [0,2,0,0,0,0|2,0,0]=4 18059 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1Cl)O 240690a_100000762737_100000719527 [0,2,0,0,0,0|2,0,0]=4 18060 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1F)Br 240690a_100000762737_100000212322 [0,2,0,0,0,0|2,0,0]=4 18061 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1F)Cl 240690a_100000762737_100000214954 [0,2,0,0,0,0|2,0,0]=4 18062 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1F)F 240690a_100000762737_100000198512 [0,2,0,0,0,0|2,0,0]=4 18063 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1F)I 240690a_100000762737_100000688014 [0,2,0,0,0,0|2,0,0]=4 18064 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1F)O 240690a_100000762737_100000037260 [0,2,0,0,0,0|2,0,0]=4 18065 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1I)Br 240690a_100000762737_100000183945 [0,2,0,0,0,0|2,0,0]=4 18066 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1I)Cl 240690a_100000762737_100000739379 [0,2,0,0,0,0|2,0,0]=4 18067 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1I)F 240690a_100000762737_100000748905 [0,2,0,0,0,0|2,0,0]=4 18068 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1I)I 240690a_100000762737_100000750460 [0,2,0,0,0,0|2,0,0]=4 18069 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1I)O 240690a_100000762737_200009995701 [0,2,0,0,0,0|2,0,0]=4 18070 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1O)Br 240690a_100000762737_100000212140 [0,2,0,0,0,0|2,0,0]=4 18071 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1O)Cl 240690a_100000762737_100000212143 [0,2,0,0,0,0|2,0,0]=4 18072 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1O)F 240690a_100000762737_100000742286 [0,2,0,0,0,0|2,0,0]=4 18073 B17R1.9248 O=C(NCCCCCO)c1cc(ccc1O)I 240690a_100000762737_100000212111 [0,2,0,0,0,0|2,0,0]=4 18074 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000210614 [0,2,0,0,0,0|1,0,0]=3 18075 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210614 [0,2,0,0,0,0|1,0,0]=3 18076 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000210614 [0,2,0,0,0,0|1,0,0]=3 18077 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000210614 [0,2,0,0,0,0|1,0,0]=3 18078 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000210614 [0,2,0,0,0,0|1,0,0]=3 18079 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210614 [0,2,0,0,0,0|1,0,0]=3 18080 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210614 [0,2,0,0,0,0|1,0,0]=3 18081 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210614 [0,2,0,0,0,0|1,0,0]=3 18082 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000210614 [0,2,0,0,0,0|1,0,0]=3 18083 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000210614 [0,2,0,0,0,0|1,0,0]=3 18084 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210614 [0,2,0,0,0,0|1,0,0]=3 18085 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000210614 [0,2,0,0,0,0|1,0,0]=3 18086 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000210614 [0,2,0,0,0,0|1,0,0]=3 18087 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000210614 [0,2,0,0,0,0|1,0,0]=3 18088 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210614 [0,2,0,0,0,0|1,0,0]=3 18089 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000210614 [0,2,0,0,0,0|1,0,0]=3 18090 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000210614 [0,2,0,0,0,0|1,0,0]=3 18091 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000210614 [0,2,0,0,0,0|1,0,0]=3 18092 B17R1.9253 CCCCCCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210614 [0,2,0,0,0,0|1,0,0]=3 18093 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Br 11a_100000210581_100000687083 [0,2,0,0,0,0|1,0,0]=3 18094 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Br 1626a_100000210581_100000687083 [0,2,0,0,0,0|1,0,0]=3 18095 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Br 240690a_100000210581_100000687083 [0,2,0,0,0,0|1,0,0]=3 18096 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Br 527a_100000210581_100000687083 [0,2,0,0,0,0|1,0,0]=3 18097 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)C 11a_100000210581_100000760426 [0,2,0,0,0,0|1,0,0]=3 18098 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)C 1626a_100000210581_100000760426 [0,2,0,0,0,0|1,0,0]=3 18099 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)C 240690a_100000210581_100000760426 [0,2,0,0,0,0|1,0,0]=3 18100 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)C 527a_100000210581_100000760426 [0,2,0,0,0,0|1,0,0]=3 18101 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Cl 11a_100000210581_100000687899 [0,2,0,0,0,0|1,0,0]=3 18102 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Cl 1626a_100000210581_100000687899 [0,2,0,0,0,0|1,0,0]=3 18103 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100000210581_100000687899 [0,2,0,0,0,0|1,0,0]=3 18104 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)Cl 527a_100000210581_100000687899 [0,2,0,0,0,0|1,0,0]=3 18105 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)F 11a_100000210581_100000739618 [0,2,0,0,0,0|1,0,0]=3 18106 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)F 1626a_100000210581_100000739618 [0,2,0,0,0,0|1,0,0]=3 18107 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)F 240690a_100000210581_100000739618 [0,2,0,0,0,0|1,0,0]=3 18108 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)F 527a_100000210581_100000739618 [0,2,0,0,0,0|1,0,0]=3 18109 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)O 240690a_100000210581_100011934545 [0,2,0,0,0,0|1,0,0]=3 18110 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Br)O 527a_100000210581_100011934545 [0,2,0,0,0,0|1,0,0]=3 18111 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)C)C 11a_100000210581_100000210874 [0,2,0,0,0,0|1,0,0]=3 18112 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)C)C 1626a_100000210581_100000210874 [0,2,0,0,0,0|1,0,0]=3 18113 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)C)C 240690a_100000210581_100000210874 [0,2,0,0,0,0|1,0,0]=3 18114 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)C)C 527a_100000210581_100000210874 [0,2,0,0,0,0|1,0,0]=3 18115 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)C 11a_100000210581_100000684526 [0,2,0,0,0,0|1,0,0]=3 18116 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)C 1626a_100000210581_100000684526 [0,2,0,0,0,0|1,0,0]=3 18117 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)C 240690a_100000210581_100000684526 [0,2,0,0,0,0|1,0,0]=3 18118 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)C 527a_100000210581_100000684526 [0,2,0,0,0,0|1,0,0]=3 18119 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100000210581_100000210701 [0,2,0,0,0,0|1,0,0]=3 18120 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100000210581_100000210701 [0,2,0,0,0,0|1,0,0]=3 18121 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100000210581_100000210701 [0,2,0,0,0,0|1,0,0]=3 18122 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100000210581_100000210701 [0,2,0,0,0,0|1,0,0]=3 18123 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)F 11a_100000210581_100000685768 [0,2,0,0,0,0|1,0,0]=3 18124 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)F 1626a_100000210581_100000685768 [0,2,0,0,0,0|1,0,0]=3 18125 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)F 240690a_100000210581_100000685768 [0,2,0,0,0,0|1,0,0]=3 18126 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)F 527a_100000210581_100000685768 [0,2,0,0,0,0|1,0,0]=3 18127 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100000210581_100011997059 [0,2,0,0,0,0|1,0,0]=3 18128 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)Cl)O 527a_100000210581_100011997059 [0,2,0,0,0,0|1,0,0]=3 18129 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)C 11a_100000210581_100000763163 [0,2,0,0,0,0|1,0,0]=3 18130 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)C 1626a_100000210581_100000763163 [0,2,0,0,0,0|1,0,0]=3 18131 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)C 240690a_100000210581_100000763163 [0,2,0,0,0,0|1,0,0]=3 18132 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)C 527a_100000210581_100000763163 [0,2,0,0,0,0|1,0,0]=3 18133 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)F 11a_100000210581_100000211655 [0,2,0,0,0,0|1,0,0]=3 18134 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)F 1626a_100000210581_100000211655 [0,2,0,0,0,0|1,0,0]=3 18135 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)F 240690a_100000210581_100000211655 [0,2,0,0,0,0|1,0,0]=3 18136 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)F 527a_100000210581_100000211655 [0,2,0,0,0,0|1,0,0]=3 18137 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)O 11a_100000210581_100012017291 [0,2,0,0,0,0|1,0,0]=3 18138 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)O 240690a_100000210581_100012017291 [0,2,0,0,0,0|1,0,0]=3 18139 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)F)O 527a_100000210581_100012017291 [0,2,0,0,0,0|1,0,0]=3 18140 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Br 11a_100000210581_100000689235 [0,2,0,0,0,0|1,0,0]=3 18141 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Br 1626a_100000210581_100000689235 [0,2,0,0,0,0|1,0,0]=3 18142 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Br 240690a_100000210581_100000689235 [0,2,0,0,0,0|1,0,0]=3 18143 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Br 527a_100000210581_100000689235 [0,2,0,0,0,0|1,0,0]=3 18144 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)C 11a_100000210581_100000729426 [0,2,0,0,0,0|1,0,0]=3 18145 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)C 1626a_100000210581_100000729426 [0,2,0,0,0,0|1,0,0]=3 18146 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)C 240690a_100000210581_100000729426 [0,2,0,0,0,0|1,0,0]=3 18147 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)C 527a_100000210581_100000729426 [0,2,0,0,0,0|1,0,0]=3 18148 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Cl 11a_100000210581_100012047205 [0,2,0,0,0,0|1,0,0]=3 18149 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Cl 1626a_100000210581_100012047205 [0,2,0,0,0,0|1,0,0]=3 18150 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Cl 240690a_100000210581_100012047205 [0,2,0,0,0,0|1,0,0]=3 18151 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)Cl 527a_100000210581_100012047205 [0,2,0,0,0,0|1,0,0]=3 18152 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)F 11a_100000210581_100012047268 [0,2,0,0,0,0|1,0,0]=3 18153 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)F 1626a_100000210581_100012047268 [0,2,0,0,0,0|1,0,0]=3 18154 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)F 240690a_100000210581_100012047268 [0,2,0,0,0,0|1,0,0]=3 18155 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)F 527a_100000210581_100012047268 [0,2,0,0,0,0|1,0,0]=3 18156 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)I 11a_100000210581_100011204819 [0,2,0,0,0,0|1,0,0]=3 18157 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)I 1626a_100000210581_100011204819 [0,2,0,0,0,0|1,0,0]=3 18158 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)I 240690a_100000210581_100011204819 [0,2,0,0,0,0|1,0,0]=3 18159 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)I)I 527a_100000210581_100011204819 [0,2,0,0,0,0|1,0,0]=3 18160 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)O)C 240690a_100000210581_100000094094 [0,2,0,0,0,0|1,0,0]=3 18161 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)O)C 527a_100000210581_100000094094 [0,2,0,0,0,0|1,0,0]=3 18162 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)O)O 240690a_100000210581_100000690292 [0,2,0,0,0,0|1,0,0]=3 18163 B17R1.9253 CCCCCCNC(=O)c1cc(cc(c1)O)O 527a_100000210581_100000690292 [0,2,0,0,0,0|1,0,0]=3 18164 B17R1.9253 CCCCCCO[C@@H](C)c1cc(cc(c1)F)F 34a_100012136759_100000210314 [0,2,0,0,0,0|1,0,1]=4 18165 B17R1.9253 CCCCCCO[C@@H](C)c1cc(cc(c1)F)F 7a_100012136759_100000210314 [0,2,0,0,0,0|1,0,1]=4 18166 B17R1.9253 CCCCCNCC(=O)c1cc(cc(c1)Cl)Cl 2230a_100000209983_200012340517 [0,2,0,0,0,0|2,0,0]=4 18167 B17R1.9253 CCCCCNCC(=O)c1cc(cc(c1)F)F 2230a_100000209983_100011216790 [0,2,0,0,0,0|2,0,0]=4 18168 B17R1.9253 CCCCCNCC(=O)c1cc(cc(c1)O)O 2230a_100000209983_100010006762 [0,2,0,0,0,0|2,0,0]=4 18169 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Br)Br 22a_100000694160_100000687083 [0,2,0,0,0,0|2,0,0]=4 18170 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Br)C 22a_100000694160_100000760426 [0,2,0,0,0,0|2,0,0]=4 18171 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Br)Cl 22a_100000694160_100000687899 [0,2,0,0,0,0|2,0,0]=4 18172 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Br)F 22a_100000694160_100000739618 [0,2,0,0,0,0|2,0,0]=4 18173 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Br)O 22a_100000694160_100011934545 [0,2,0,0,0,0|2,0,0]=4 18174 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)C)C 22a_100000694160_100000210874 [0,2,0,0,0,0|2,0,0]=4 18175 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Cl)C 22a_100000694160_100000684526 [0,2,0,0,0,0|2,0,0]=4 18176 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Cl)Cl 22a_100000694160_100000210701 [0,2,0,0,0,0|2,0,0]=4 18177 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Cl)F 22a_100000694160_100000685768 [0,2,0,0,0,0|2,0,0]=4 18178 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)Cl)O 22a_100000694160_100011997059 [0,2,0,0,0,0|2,0,0]=4 18179 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)F)C 22a_100000694160_100000763163 [0,2,0,0,0,0|2,0,0]=4 18180 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)F)F 22a_100000694160_100000211655 [0,2,0,0,0,0|2,0,0]=4 18181 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)F)O 22a_100000694160_100012017291 [0,2,0,0,0,0|2,0,0]=4 18182 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)I)Br 22a_100000694160_100000689235 [0,2,0,0,0,0|2,0,0]=4 18183 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)I)C 22a_100000694160_100000729426 [0,2,0,0,0,0|2,0,0]=4 18184 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)I)Cl 22a_100000694160_100012047205 [0,2,0,0,0,0|2,0,0]=4 18185 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)I)F 22a_100000694160_100012047268 [0,2,0,0,0,0|2,0,0]=4 18186 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)I)I 22a_100000694160_100011204819 [0,2,0,0,0,0|2,0,0]=4 18187 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)O)C 22a_100000694160_100000094094 [0,2,0,0,0,0|2,0,0]=4 18188 B17R1.9253 CCCCCNNC(=O)c1cc(cc(c1)O)O 22a_100000694160_100000690292 [0,2,0,0,0,0|2,0,0]=4 18189 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)Cl)Cl 34a_100000210253_200012340517 [0,2,0,0,0,0|2,0,0]=4 18190 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)Cl)Cl 7a_100000210253_200012340517 [0,2,0,0,0,0|2,0,0]=4 18191 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)F)F 34a_100000210253_100011216790 [0,2,0,0,0,0|2,0,0]=4 18192 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)F)F 34a_100012568930_100000718602 [0,2,0,0,0,0|2,0,0]=4 18193 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)F)F 7a_100000210253_100011216790 [0,2,0,0,0,0|2,0,0]=4 18194 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)F)F 7a_100012568930_100000210326 [0,2,0,0,0,0|2,0,0]=4 18195 B17R1.9253 CCCCCOCC(=O)c1cc(cc(c1)O)O 34a_100000210253_100010006762 [0,2,0,0,0,0|2,0,0]=4 18196 B17R1.9253 CCCCCSCC(=O)c1cc(cc(c1)Cl)Cl 62a_100000210326_200012340517 [0,2,0,0,0,0|2,0,0]=4 18197 B17R1.9253 CCCCCSCC(=O)c1cc(cc(c1)Cl)Cl 62a_200012340517_100000210326 [0,2,0,0,0,0|2,0,0]=4 18198 B17R1.9253 CCCCCSCC(=O)c1cc(cc(c1)F)F 62a_100000210326_100011216790 [0,2,0,0,0,0|2,0,0]=4 18199 B17R1.9253 CCCCCSCC(=O)c1cc(cc(c1)F)F 62a_100011216790_100000210326 [0,2,0,0,0,0|2,0,0]=4 18200 B17R1.9253 CCCCCSCC(=O)c1cc(cc(c1)O)O 62a_100000210326_100010006762 [0,2,0,0,0,0|2,0,0]=4 18201 B17R1.9253 CCCCCSCC(=O)c1cc(cc(c1)O)O 62a_100010006762_100000210326 [0,2,0,0,0,0|2,0,0]=4 18202 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_100000743108 [0,2,0,0,0,0|2,0,0]=4 18203 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000743108 [0,2,0,0,0,0|2,0,0]=4 18204 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000743108 [0,2,0,0,0,0|2,0,0]=4 18205 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_100000743108 [0,2,0,0,0,0|2,0,0]=4 18206 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_100000743108 [0,2,0,0,0,0|2,0,0]=4 18207 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000743108 [0,2,0,0,0,0|2,0,0]=4 18208 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000743108 [0,2,0,0,0,0|2,0,0]=4 18209 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000743108 [0,2,0,0,0,0|2,0,0]=4 18210 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_100000743108 [0,2,0,0,0,0|2,0,0]=4 18211 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_100000743108 [0,2,0,0,0,0|2,0,0]=4 18212 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000743108 [0,2,0,0,0,0|2,0,0]=4 18213 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)F)F 1458a_100000211655_100000743108 [0,2,0,0,0,0|2,0,0]=4 18214 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)F)O 1458a_100012017291_100000743108 [0,2,0,0,0,0|2,0,0]=4 18215 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_100000743108 [0,2,0,0,0,0|2,0,0]=4 18216 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000743108 [0,2,0,0,0,0|2,0,0]=4 18217 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_100000743108 [0,2,0,0,0,0|2,0,0]=4 18218 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)I)F 1458a_100012047268_100000743108 [0,2,0,0,0,0|2,0,0]=4 18219 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)I)I 1458a_100011204819_100000743108 [0,2,0,0,0,0|2,0,0]=4 18220 B17R1.9253 CCCCOCCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000743108 [0,2,0,0,0,0|2,0,0]=4 18221 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)Br 1626a_100161115042_100000687083 [0,2,0,0,0,0|2,0,0]=4 18222 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)Br 240690a_100161115042_100000687083 [0,2,0,0,0,0|2,0,0]=4 18223 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)Br 527a_100161115042_100000687083 [0,2,0,0,0,0|2,0,0]=4 18224 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)C 1626a_100161115042_100000760426 [0,2,0,0,0,0|2,0,0]=4 18225 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)C 240690a_100161115042_100000760426 [0,2,0,0,0,0|2,0,0]=4 18226 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)C 527a_100161115042_100000760426 [0,2,0,0,0,0|2,0,0]=4 18227 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)Cl 1626a_100161115042_100000687899 [0,2,0,0,0,0|2,0,0]=4 18228 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100161115042_100000687899 [0,2,0,0,0,0|2,0,0]=4 18229 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)Cl 527a_100161115042_100000687899 [0,2,0,0,0,0|2,0,0]=4 18230 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)F 1626a_100161115042_100000739618 [0,2,0,0,0,0|2,0,0]=4 18231 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)F 240690a_100161115042_100000739618 [0,2,0,0,0,0|2,0,0]=4 18232 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)F 527a_100161115042_100000739618 [0,2,0,0,0,0|2,0,0]=4 18233 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)O 240690a_100161115042_100011934545 [0,2,0,0,0,0|2,0,0]=4 18234 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Br)O 527a_100161115042_100011934545 [0,2,0,0,0,0|2,0,0]=4 18235 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)C)C 1626a_100161115042_100000210874 [0,2,0,0,0,0|2,0,0]=4 18236 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)C)C 240690a_100161115042_100000210874 [0,2,0,0,0,0|2,0,0]=4 18237 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)C)C 527a_100161115042_100000210874 [0,2,0,0,0,0|2,0,0]=4 18238 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)C 1626a_100161115042_100000684526 [0,2,0,0,0,0|2,0,0]=4 18239 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)C 240690a_100161115042_100000684526 [0,2,0,0,0,0|2,0,0]=4 18240 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)C 527a_100161115042_100000684526 [0,2,0,0,0,0|2,0,0]=4 18241 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100161115042_100000210701 [0,2,0,0,0,0|2,0,0]=4 18242 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100161115042_100000210701 [0,2,0,0,0,0|2,0,0]=4 18243 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100161115042_100000210701 [0,2,0,0,0,0|2,0,0]=4 18244 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)F 1626a_100161115042_100000685768 [0,2,0,0,0,0|2,0,0]=4 18245 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)F 240690a_100161115042_100000685768 [0,2,0,0,0,0|2,0,0]=4 18246 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)F 527a_100161115042_100000685768 [0,2,0,0,0,0|2,0,0]=4 18247 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100161115042_100011997059 [0,2,0,0,0,0|2,0,0]=4 18248 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)Cl)O 527a_100161115042_100011997059 [0,2,0,0,0,0|2,0,0]=4 18249 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)C 1626a_100161115042_100000763163 [0,2,0,0,0,0|2,0,0]=4 18250 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)C 240690a_100161115042_100000763163 [0,2,0,0,0,0|2,0,0]=4 18251 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)C 527a_100161115042_100000763163 [0,2,0,0,0,0|2,0,0]=4 18252 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)F 1626a_100161115042_100000211655 [0,2,0,0,0,0|2,0,0]=4 18253 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)F 240690a_100161115042_100000211655 [0,2,0,0,0,0|2,0,0]=4 18254 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)F 527a_100161115042_100000211655 [0,2,0,0,0,0|2,0,0]=4 18255 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)O 240690a_100161115042_100012017291 [0,2,0,0,0,0|2,0,0]=4 18256 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)F)O 527a_100161115042_100012017291 [0,2,0,0,0,0|2,0,0]=4 18257 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)Br 1626a_100161115042_100000689235 [0,2,0,0,0,0|2,0,0]=4 18258 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)Br 240690a_100161115042_100000689235 [0,2,0,0,0,0|2,0,0]=4 18259 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)Br 527a_100161115042_100000689235 [0,2,0,0,0,0|2,0,0]=4 18260 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)C 1626a_100161115042_100000729426 [0,2,0,0,0,0|2,0,0]=4 18261 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)C 240690a_100161115042_100000729426 [0,2,0,0,0,0|2,0,0]=4 18262 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)C 527a_100161115042_100000729426 [0,2,0,0,0,0|2,0,0]=4 18263 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)Cl 1626a_100161115042_100012047205 [0,2,0,0,0,0|2,0,0]=4 18264 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)Cl 240690a_100161115042_100012047205 [0,2,0,0,0,0|2,0,0]=4 18265 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)Cl 527a_100161115042_100012047205 [0,2,0,0,0,0|2,0,0]=4 18266 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)F 1626a_100161115042_100012047268 [0,2,0,0,0,0|2,0,0]=4 18267 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)F 240690a_100161115042_100012047268 [0,2,0,0,0,0|2,0,0]=4 18268 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)F 527a_100161115042_100012047268 [0,2,0,0,0,0|2,0,0]=4 18269 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)I 1626a_100161115042_100011204819 [0,2,0,0,0,0|2,0,0]=4 18270 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)I 240690a_100161115042_100011204819 [0,2,0,0,0,0|2,0,0]=4 18271 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)I)I 527a_100161115042_100011204819 [0,2,0,0,0,0|2,0,0]=4 18272 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)O)C 240690a_100161115042_100000094094 [0,2,0,0,0,0|2,0,0]=4 18273 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)O)C 527a_100161115042_100000094094 [0,2,0,0,0,0|2,0,0]=4 18274 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)O)O 240690a_100161115042_100000690292 [0,2,0,0,0,0|2,0,0]=4 18275 B17R1.9253 CCCOCCNC(=O)c1cc(cc(c1)O)O 527a_100161115042_100000690292 [0,2,0,0,0,0|2,0,0]=4 18276 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)Br 11a_100020603323_100000687083 [0,2,0,0,0,0|2,0,0]=4 18277 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)Br 240690a_100020603323_100000687083 [0,2,0,0,0,0|2,0,0]=4 18278 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)Br 527a_100020603323_100000687083 [0,2,0,0,0,0|2,0,0]=4 18279 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)C 11a_100020603323_100000760426 [0,2,0,0,0,0|2,0,0]=4 18280 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)C 240690a_100020603323_100000760426 [0,2,0,0,0,0|2,0,0]=4 18281 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)C 527a_100020603323_100000760426 [0,2,0,0,0,0|2,0,0]=4 18282 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)Cl 11a_100020603323_100000687899 [0,2,0,0,0,0|2,0,0]=4 18283 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100020603323_100000687899 [0,2,0,0,0,0|2,0,0]=4 18284 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)Cl 527a_100020603323_100000687899 [0,2,0,0,0,0|2,0,0]=4 18285 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)F 11a_100020603323_100000739618 [0,2,0,0,0,0|2,0,0]=4 18286 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)F 240690a_100020603323_100000739618 [0,2,0,0,0,0|2,0,0]=4 18287 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)F 527a_100020603323_100000739618 [0,2,0,0,0,0|2,0,0]=4 18288 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)O 240690a_100020603323_100011934545 [0,2,0,0,0,0|2,0,0]=4 18289 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Br)O 527a_100020603323_100011934545 [0,2,0,0,0,0|2,0,0]=4 18290 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)C)C 11a_100020603323_100000210874 [0,2,0,0,0,0|2,0,0]=4 18291 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)C)C 240690a_100020603323_100000210874 [0,2,0,0,0,0|2,0,0]=4 18292 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)C)C 527a_100020603323_100000210874 [0,2,0,0,0,0|2,0,0]=4 18293 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)C 11a_100020603323_100000684526 [0,2,0,0,0,0|2,0,0]=4 18294 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)C 240690a_100020603323_100000684526 [0,2,0,0,0,0|2,0,0]=4 18295 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)C 527a_100020603323_100000684526 [0,2,0,0,0,0|2,0,0]=4 18296 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100020603323_100000210701 [0,2,0,0,0,0|2,0,0]=4 18297 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100020603323_100000210701 [0,2,0,0,0,0|2,0,0]=4 18298 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100020603323_100000210701 [0,2,0,0,0,0|2,0,0]=4 18299 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)F 11a_100020603323_100000685768 [0,2,0,0,0,0|2,0,0]=4 18300 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)F 240690a_100020603323_100000685768 [0,2,0,0,0,0|2,0,0]=4 18301 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)F 527a_100020603323_100000685768 [0,2,0,0,0,0|2,0,0]=4 18302 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100020603323_100011997059 [0,2,0,0,0,0|2,0,0]=4 18303 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)Cl)O 527a_100020603323_100011997059 [0,2,0,0,0,0|2,0,0]=4 18304 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)C 11a_100020603323_100000763163 [0,2,0,0,0,0|2,0,0]=4 18305 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)C 240690a_100020603323_100000763163 [0,2,0,0,0,0|2,0,0]=4 18306 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)C 527a_100020603323_100000763163 [0,2,0,0,0,0|2,0,0]=4 18307 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)F 11a_100020603323_100000211655 [0,2,0,0,0,0|2,0,0]=4 18308 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)F 240690a_100020603323_100000211655 [0,2,0,0,0,0|2,0,0]=4 18309 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)F 527a_100020603323_100000211655 [0,2,0,0,0,0|2,0,0]=4 18310 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)O 11a_100020603323_100012017291 [0,2,0,0,0,0|2,0,0]=4 18311 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)O 240690a_100020603323_100012017291 [0,2,0,0,0,0|2,0,0]=4 18312 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)F)O 527a_100020603323_100012017291 [0,2,0,0,0,0|2,0,0]=4 18313 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)Br 11a_100020603323_100000689235 [0,2,0,0,0,0|2,0,0]=4 18314 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)Br 240690a_100020603323_100000689235 [0,2,0,0,0,0|2,0,0]=4 18315 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)Br 527a_100020603323_100000689235 [0,2,0,0,0,0|2,0,0]=4 18316 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)C 11a_100020603323_100000729426 [0,2,0,0,0,0|2,0,0]=4 18317 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)C 240690a_100020603323_100000729426 [0,2,0,0,0,0|2,0,0]=4 18318 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)C 527a_100020603323_100000729426 [0,2,0,0,0,0|2,0,0]=4 18319 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)Cl 11a_100020603323_100012047205 [0,2,0,0,0,0|2,0,0]=4 18320 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)Cl 240690a_100020603323_100012047205 [0,2,0,0,0,0|2,0,0]=4 18321 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)Cl 527a_100020603323_100012047205 [0,2,0,0,0,0|2,0,0]=4 18322 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)F 11a_100020603323_100012047268 [0,2,0,0,0,0|2,0,0]=4 18323 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)F 240690a_100020603323_100012047268 [0,2,0,0,0,0|2,0,0]=4 18324 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)F 527a_100020603323_100012047268 [0,2,0,0,0,0|2,0,0]=4 18325 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)I 11a_100020603323_100011204819 [0,2,0,0,0,0|2,0,0]=4 18326 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)I 240690a_100020603323_100011204819 [0,2,0,0,0,0|2,0,0]=4 18327 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)I)I 527a_100020603323_100011204819 [0,2,0,0,0,0|2,0,0]=4 18328 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)O)C 240690a_100020603323_100000094094 [0,2,0,0,0,0|2,0,0]=4 18329 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)O)C 527a_100020603323_100000094094 [0,2,0,0,0,0|2,0,0]=4 18330 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)O)O 240690a_100020603323_100000690292 [0,2,0,0,0,0|2,0,0]=4 18331 B17R1.9253 CCCSCCNC(=O)c1cc(cc(c1)O)O 527a_100020603323_100000690292 [0,2,0,0,0,0|2,0,0]=4 18332 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Br 11a_100000210961_100000687083 [0,2,0,0,0,0|2,0,0]=4 18333 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Br 1626a_100000210961_100000687083 [0,2,0,0,0,0|2,0,0]=4 18334 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Br 240690a_100000210961_100000687083 [0,2,0,0,0,0|2,0,0]=4 18335 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Br 527a_100000210961_100000687083 [0,2,0,0,0,0|2,0,0]=4 18336 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)C 11a_100000210961_100000760426 [0,2,0,0,0,0|2,0,0]=4 18337 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)C 1626a_100000210961_100000760426 [0,2,0,0,0,0|2,0,0]=4 18338 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)C 240690a_100000210961_100000760426 [0,2,0,0,0,0|2,0,0]=4 18339 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)C 527a_100000210961_100000760426 [0,2,0,0,0,0|2,0,0]=4 18340 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Cl 11a_100000210961_100000687899 [0,2,0,0,0,0|2,0,0]=4 18341 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Cl 1626a_100000210961_100000687899 [0,2,0,0,0,0|2,0,0]=4 18342 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Cl 240690a_100000210961_100000687899 [0,2,0,0,0,0|2,0,0]=4 18343 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)Cl 527a_100000210961_100000687899 [0,2,0,0,0,0|2,0,0]=4 18344 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)F 11a_100000210961_100000739618 [0,2,0,0,0,0|2,0,0]=4 18345 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)F 1626a_100000210961_100000739618 [0,2,0,0,0,0|2,0,0]=4 18346 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)F 240690a_100000210961_100000739618 [0,2,0,0,0,0|2,0,0]=4 18347 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)F 527a_100000210961_100000739618 [0,2,0,0,0,0|2,0,0]=4 18348 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)O 240690a_100000210961_100011934545 [0,2,0,0,0,0|2,0,0]=4 18349 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Br)O 527a_100000210961_100011934545 [0,2,0,0,0,0|2,0,0]=4 18350 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)C)C 11a_100000210961_100000210874 [0,2,0,0,0,0|2,0,0]=4 18351 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)C)C 1626a_100000210961_100000210874 [0,2,0,0,0,0|2,0,0]=4 18352 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)C)C 240690a_100000210961_100000210874 [0,2,0,0,0,0|2,0,0]=4 18353 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)C)C 527a_100000210961_100000210874 [0,2,0,0,0,0|2,0,0]=4 18354 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)C 11a_100000210961_100000684526 [0,2,0,0,0,0|2,0,0]=4 18355 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)C 1626a_100000210961_100000684526 [0,2,0,0,0,0|2,0,0]=4 18356 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)C 240690a_100000210961_100000684526 [0,2,0,0,0,0|2,0,0]=4 18357 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)C 527a_100000210961_100000684526 [0,2,0,0,0,0|2,0,0]=4 18358 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)Cl 11a_100000210961_100000210701 [0,2,0,0,0,0|2,0,0]=4 18359 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100000210961_100000210701 [0,2,0,0,0,0|2,0,0]=4 18360 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100000210961_100000210701 [0,2,0,0,0,0|2,0,0]=4 18361 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)Cl 527a_100000210961_100000210701 [0,2,0,0,0,0|2,0,0]=4 18362 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)F 11a_100000210961_100000685768 [0,2,0,0,0,0|2,0,0]=4 18363 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)F 1626a_100000210961_100000685768 [0,2,0,0,0,0|2,0,0]=4 18364 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)F 240690a_100000210961_100000685768 [0,2,0,0,0,0|2,0,0]=4 18365 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)F 527a_100000210961_100000685768 [0,2,0,0,0,0|2,0,0]=4 18366 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)O 240690a_100000210961_100011997059 [0,2,0,0,0,0|2,0,0]=4 18367 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)Cl)O 527a_100000210961_100011997059 [0,2,0,0,0,0|2,0,0]=4 18368 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)C 11a_100000210961_100000763163 [0,2,0,0,0,0|2,0,0]=4 18369 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)C 1626a_100000210961_100000763163 [0,2,0,0,0,0|2,0,0]=4 18370 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)C 240690a_100000210961_100000763163 [0,2,0,0,0,0|2,0,0]=4 18371 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)C 527a_100000210961_100000763163 [0,2,0,0,0,0|2,0,0]=4 18372 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)F 11a_100000210961_100000211655 [0,2,0,0,0,0|2,0,0]=4 18373 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)F 1626a_100000210961_100000211655 [0,2,0,0,0,0|2,0,0]=4 18374 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)F 240690a_100000210961_100000211655 [0,2,0,0,0,0|2,0,0]=4 18375 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)F 527a_100000210961_100000211655 [0,2,0,0,0,0|2,0,0]=4 18376 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)O 11a_100000210961_100012017291 [0,2,0,0,0,0|2,0,0]=4 18377 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)O 240690a_100000210961_100012017291 [0,2,0,0,0,0|2,0,0]=4 18378 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)F)O 527a_100000210961_100012017291 [0,2,0,0,0,0|2,0,0]=4 18379 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Br 11a_100000210961_100000689235 [0,2,0,0,0,0|2,0,0]=4 18380 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Br 1626a_100000210961_100000689235 [0,2,0,0,0,0|2,0,0]=4 18381 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Br 240690a_100000210961_100000689235 [0,2,0,0,0,0|2,0,0]=4 18382 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Br 527a_100000210961_100000689235 [0,2,0,0,0,0|2,0,0]=4 18383 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)C 11a_100000210961_100000729426 [0,2,0,0,0,0|2,0,0]=4 18384 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)C 1626a_100000210961_100000729426 [0,2,0,0,0,0|2,0,0]=4 18385 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)C 240690a_100000210961_100000729426 [0,2,0,0,0,0|2,0,0]=4 18386 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)C 527a_100000210961_100000729426 [0,2,0,0,0,0|2,0,0]=4 18387 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Cl 11a_100000210961_100012047205 [0,2,0,0,0,0|2,0,0]=4 18388 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Cl 1626a_100000210961_100012047205 [0,2,0,0,0,0|2,0,0]=4 18389 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Cl 240690a_100000210961_100012047205 [0,2,0,0,0,0|2,0,0]=4 18390 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)Cl 527a_100000210961_100012047205 [0,2,0,0,0,0|2,0,0]=4 18391 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)F 11a_100000210961_100012047268 [0,2,0,0,0,0|2,0,0]=4 18392 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)F 1626a_100000210961_100012047268 [0,2,0,0,0,0|2,0,0]=4 18393 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)F 240690a_100000210961_100012047268 [0,2,0,0,0,0|2,0,0]=4 18394 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)F 527a_100000210961_100012047268 [0,2,0,0,0,0|2,0,0]=4 18395 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)I 11a_100000210961_100011204819 [0,2,0,0,0,0|2,0,0]=4 18396 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)I 1626a_100000210961_100011204819 [0,2,0,0,0,0|2,0,0]=4 18397 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)I 240690a_100000210961_100011204819 [0,2,0,0,0,0|2,0,0]=4 18398 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)I)I 527a_100000210961_100011204819 [0,2,0,0,0,0|2,0,0]=4 18399 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)O)C 240690a_100000210961_100000094094 [0,2,0,0,0,0|2,0,0]=4 18400 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)O)C 527a_100000210961_100000094094 [0,2,0,0,0,0|2,0,0]=4 18401 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)O)O 240690a_100000210961_100000690292 [0,2,0,0,0,0|2,0,0]=4 18402 B17R1.9253 CCOCCCNC(=O)c1cc(cc(c1)O)O 527a_100000210961_100000690292 [0,2,0,0,0,0|2,0,0]=4 18403 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCF)Br 1458a_100000760426_100015922095 [0,2,0,0,0,0|2,0,0]=4 18404 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCF)C 1458a_100000210874_100015922095 [0,2,0,0,0,0|2,0,0]=4 18405 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCF)Cl 1458a_100000684526_100015922095 [0,2,0,0,0,0|2,0,0]=4 18406 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCF)F 1458a_100000763163_100015922095 [0,2,0,0,0,0|2,0,0]=4 18407 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCF)I 1458a_100000729426_100015922095 [0,2,0,0,0,0|2,0,0]=4 18408 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCF)O 1458a_100000094094_100015922095 [0,2,0,0,0,0|2,0,0]=4 18409 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCO)Br 1458a_100000760426_100000766143 [0,2,0,0,0,0|2,0,0]=4 18410 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCO)C 1458a_100000210874_100000766143 [0,2,0,0,0,0|2,0,0]=4 18411 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCO)Cl 1458a_100000684526_100000766143 [0,2,0,0,0,0|2,0,0]=4 18412 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCO)F 1458a_100000763163_100000766143 [0,2,0,0,0,0|2,0,0]=4 18413 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCO)I 1458a_100000729426_100000766143 [0,2,0,0,0,0|2,0,0]=4 18414 B17R1.9253 Cc1cc(cc(c1)C(=O)CCCCCCO)O 1458a_100000094094_100000766143 [0,2,0,0,0,0|2,0,0]=4 18415 B17R1.9253 Cc1cc(cc(c1)C(=O)NCCCCCO)Br 240690a_100000762737_100000760426 [0,2,0,0,0,0|2,0,0]=4 18416 B17R1.9253 Cc1cc(cc(c1)C(=O)NCCCCCO)C 240690a_100000762737_100000210874 [0,2,0,0,0,0|2,0,0]=4 18417 B17R1.9253 Cc1cc(cc(c1)C(=O)NCCCCCO)Cl 240690a_100000762737_100000684526 [0,2,0,0,0,0|2,0,0]=4 18418 B17R1.9253 Cc1cc(cc(c1)C(=O)NCCCCCO)F 240690a_100000762737_100000763163 [0,2,0,0,0,0|2,0,0]=4 18419 B17R1.9253 Cc1cc(cc(c1)C(=O)NCCCCCO)I 240690a_100000762737_100000729426 [0,2,0,0,0,0|2,0,0]=4 18420 B17R1.9253 Cc1cc(cc(c1)C(=O)NCCCCCO)O 240690a_100000762737_100000094094 [0,2,0,0,0,0|2,0,0]=4 18421 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Br)Br 1458a_100000687083_100015922095 [0,2,0,0,0,0|2,0,0]=4 18422 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Br)Cl 1458a_100000687899_100015922095 [0,2,0,0,0,0|2,0,0]=4 18423 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Br)F 1458a_100000739618_100015922095 [0,2,0,0,0,0|2,0,0]=4 18424 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Br)O 1458a_100011934545_100015922095 [0,2,0,0,0,0|2,0,0]=4 18425 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015922095 [0,2,0,0,0,0|2,0,0]=4 18426 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Cl)F 1458a_100000685768_100015922095 [0,2,0,0,0,0|2,0,0]=4 18427 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)Cl)O 1458a_100011997059_100015922095 [0,2,0,0,0,0|2,0,0]=4 18428 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)F)F 1458a_100000211655_100015922095 [0,2,0,0,0,0|2,0,0]=4 18429 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)F)O 1458a_100012017291_100015922095 [0,2,0,0,0,0|2,0,0]=4 18430 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)I)Br 1458a_100000689235_100015922095 [0,2,0,0,0,0|2,0,0]=4 18431 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)I)Cl 1458a_100012047205_100015922095 [0,2,0,0,0,0|2,0,0]=4 18432 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)I)F 1458a_100012047268_100015922095 [0,2,0,0,0,0|2,0,0]=4 18433 B17R1.9253 O=C(CCCCCCF)c1cc(cc(c1)I)I 1458a_100011204819_100015922095 [0,2,0,0,0,0|2,0,0]=4 18434 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Br)Br 1458a_100000687083_100000766143 [0,2,0,0,0,0|2,0,0]=4 18435 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Br)Cl 1458a_100000687899_100000766143 [0,2,0,0,0,0|2,0,0]=4 18436 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Br)F 1458a_100000739618_100000766143 [0,2,0,0,0,0|2,0,0]=4 18437 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Br)O 1458a_100011934545_100000766143 [0,2,0,0,0,0|2,0,0]=4 18438 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000766143 [0,2,0,0,0,0|2,0,0]=4 18439 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Cl)F 1458a_100000685768_100000766143 [0,2,0,0,0,0|2,0,0]=4 18440 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)Cl)O 1458a_100011997059_100000766143 [0,2,0,0,0,0|2,0,0]=4 18441 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)F)F 1458a_100000211655_100000766143 [0,2,0,0,0,0|2,0,0]=4 18442 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)F)O 1458a_100012017291_100000766143 [0,2,0,0,0,0|2,0,0]=4 18443 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)I)Br 1458a_100000689235_100000766143 [0,2,0,0,0,0|2,0,0]=4 18444 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)I)Cl 1458a_100012047205_100000766143 [0,2,0,0,0,0|2,0,0]=4 18445 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)I)F 1458a_100012047268_100000766143 [0,2,0,0,0,0|2,0,0]=4 18446 B17R1.9253 O=C(CCCCCCO)c1cc(cc(c1)I)I 1458a_100011204819_100000766143 [0,2,0,0,0,0|2,0,0]=4 18447 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Br)Br 240690a_100000762737_100000687083 [0,2,0,0,0,0|2,0,0]=4 18448 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Br)Cl 240690a_100000762737_100000687899 [0,2,0,0,0,0|2,0,0]=4 18449 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Br)F 240690a_100000762737_100000739618 [0,2,0,0,0,0|2,0,0]=4 18450 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Br)O 240690a_100000762737_100011934545 [0,2,0,0,0,0|2,0,0]=4 18451 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Cl)Cl 240690a_100000762737_100000210701 [0,2,0,0,0,0|2,0,0]=4 18452 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Cl)F 240690a_100000762737_100000685768 [0,2,0,0,0,0|2,0,0]=4 18453 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)Cl)O 240690a_100000762737_100011997059 [0,2,0,0,0,0|2,0,0]=4 18454 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)F)F 240690a_100000762737_100000211655 [0,2,0,0,0,0|2,0,0]=4 18455 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)F)O 240690a_100000762737_100012017291 [0,2,0,0,0,0|2,0,0]=4 18456 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)I)Br 240690a_100000762737_100000689235 [0,2,0,0,0,0|2,0,0]=4 18457 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)I)Cl 240690a_100000762737_100012047205 [0,2,0,0,0,0|2,0,0]=4 18458 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)I)F 240690a_100000762737_100012047268 [0,2,0,0,0,0|2,0,0]=4 18459 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)I)I 240690a_100000762737_100011204819 [0,2,0,0,0,0|2,0,0]=4 18460 B17R1.9253 O=C(NCCCCCO)c1cc(cc(c1)O)O 240690a_100000762737_100000690292 [0,2,0,0,0,0|2,0,0]=4 18461 B17R1.9264 C#Cc1cccc(c1)C(=O)CCCCCCC 1458a_100011997762_100000210614 [0,2,0,0,0,0|1,0,0]=3 18462 B17R1.9264 C#Cc1cccc(c1)C(=O)CCCCCCF 1458a_100011997762_100015922095 [0,2,0,0,0,0|2,0,0]=4 18463 B17R1.9264 C#Cc1cccc(c1)C(=O)CCCCCCO 1458a_100011997762_100000766143 [0,2,0,0,0,0|2,0,0]=4 18464 B17R1.9264 C#Cc1cccc(c1)C(=O)CCOCCCC 1458a_100011997762_100000743108 [0,2,0,0,0,0|2,0,0]=4 18465 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCCCC 11a_100000210581_100011997762 [0,2,0,0,0,0|1,0,0]=3 18466 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCCCC 1626a_100000210581_100011997762 [0,2,0,0,0,0|1,0,0]=3 18467 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCCCC 240690a_100000210581_100011997762 [0,2,0,0,0,0|1,0,0]=3 18468 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCCCC 527a_100000210581_100011997762 [0,2,0,0,0,0|1,0,0]=3 18469 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100011997762 [0,2,0,0,0,0|2,0,0]=4 18470 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCOCC 11a_100000210961_100011997762 [0,2,0,0,0,0|2,0,0]=4 18471 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCOCC 1626a_100000210961_100011997762 [0,2,0,0,0,0|2,0,0]=4 18472 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCOCC 240690a_100000210961_100011997762 [0,2,0,0,0,0|2,0,0]=4 18473 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCCOCC 527a_100000210961_100011997762 [0,2,0,0,0,0|2,0,0]=4 18474 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCOCCC 1626a_100161115042_100011997762 [0,2,0,0,0,0|2,0,0]=4 18475 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCOCCC 240690a_100161115042_100011997762 [0,2,0,0,0,0|2,0,0]=4 18476 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCOCCC 527a_100161115042_100011997762 [0,2,0,0,0,0|2,0,0]=4 18477 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCSCCC 11a_100020603323_100011997762 [0,2,0,0,0,0|2,0,0]=4 18478 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCSCCC 240690a_100020603323_100011997762 [0,2,0,0,0,0|2,0,0]=4 18479 B17R1.9264 C#Cc1cccc(c1)C(=O)NCCSCCC 527a_100020603323_100011997762 [0,2,0,0,0,0|2,0,0]=4 18480 B17R1.9264 C#Cc1cccc(c1)C(=O)NNCCCCC 22a_100000694160_100011997762 [0,2,0,0,0,0|2,0,0]=4 18481 B17R1.9264 C=Cc1cccc(c1)C(=O)CCCCCCC 1458a_100011215009_100000210614 [0,2,0,0,0,0|1,0,0]=3 18482 B17R1.9264 C=Cc1cccc(c1)C(=O)CCCCCCF 1458a_100011215009_100015922095 [0,2,0,0,0,0|2,0,0]=4 18483 B17R1.9264 C=Cc1cccc(c1)C(=O)CCCCCCO 1458a_100011215009_100000766143 [0,2,0,0,0,0|2,0,0]=4 18484 B17R1.9264 C=Cc1cccc(c1)C(=O)CCOCCCC 1458a_100011215009_100000743108 [0,2,0,0,0,0|2,0,0]=4 18485 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCCCC 11a_100000210581_100011215009 [0,2,0,0,0,0|1,0,0]=3 18486 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCCCC 1626a_100000210581_100011215009 [0,2,0,0,0,0|1,0,0]=3 18487 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCCCC 240690a_100000210581_100011215009 [0,2,0,0,0,0|1,0,0]=3 18488 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCCCC 527a_100000210581_100011215009 [0,2,0,0,0,0|1,0,0]=3 18489 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100011215009 [0,2,0,0,0,0|2,0,0]=4 18490 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCOCC 11a_100000210961_100011215009 [0,2,0,0,0,0|2,0,0]=4 18491 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCOCC 1626a_100000210961_100011215009 [0,2,0,0,0,0|2,0,0]=4 18492 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCOCC 240690a_100000210961_100011215009 [0,2,0,0,0,0|2,0,0]=4 18493 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCCOCC 527a_100000210961_100011215009 [0,2,0,0,0,0|2,0,0]=4 18494 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCOCCC 1626a_100161115042_100011215009 [0,2,0,0,0,0|2,0,0]=4 18495 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCOCCC 240690a_100161115042_100011215009 [0,2,0,0,0,0|2,0,0]=4 18496 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCOCCC 527a_100161115042_100011215009 [0,2,0,0,0,0|2,0,0]=4 18497 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCSCCC 11a_100020603323_100011215009 [0,2,0,0,0,0|2,0,0]=4 18498 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCSCCC 240690a_100020603323_100011215009 [0,2,0,0,0,0|2,0,0]=4 18499 B17R1.9264 C=Cc1cccc(c1)C(=O)NCCSCCC 527a_100020603323_100011215009 [0,2,0,0,0,0|2,0,0]=4 18500 B17R1.9264 C=Cc1cccc(c1)C(=O)NNCCCCC 22a_100000694160_100011215009 [0,2,0,0,0,0|2,0,0]=4 18501 B17R1.9264 CCCCCCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000210614 [0,2,0,0,0,0|1,0,0]=3 18502 B17R1.9264 CCCCCCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210614 [0,2,0,0,0,0|1,0,0]=3 18503 B17R1.9264 CCCCCCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210614 [0,2,0,0,0,0|1,0,0]=3 18504 B17R1.9264 CCCCCCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210614 [0,2,0,0,0,0|1,0,0]=3 18505 B17R1.9264 CCCCCCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210614 [0,2,0,0,0,0|1,0,0]=3 18506 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)C#N 11a_100000210581_100000183950 [0,2,0,0,0,0|1,0,0]=3 18507 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)C#N 1626a_100000210581_100000183950 [0,2,0,0,0,0|1,0,0]=3 18508 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)C#N 240690a_100000210581_100000183950 [0,2,0,0,0,0|1,0,0]=3 18509 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)C#N 527a_100000210581_100000183950 [0,2,0,0,0,0|1,0,0]=3 18510 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)CC 11a_100000210581_100011933908 [0,2,0,0,0,0|1,0,0]=3 18511 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)CC 1626a_100000210581_100011933908 [0,2,0,0,0,0|1,0,0]=3 18512 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)CC 240690a_100000210581_100011933908 [0,2,0,0,0,0|1,0,0]=3 18513 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)CC 527a_100000210581_100011933908 [0,2,0,0,0,0|1,0,0]=3 18514 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)CO 240690a_100000210581_100000746274 [0,2,0,0,0,0|1,0,0]=3 18515 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)OC 11a_100000210581_100000188888 [0,2,0,0,0,0|1,0,0]=3 18516 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)OC 1626a_100000210581_100000188888 [0,2,0,0,0,0|1,0,0]=3 18517 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)OC 240690a_100000210581_100000188888 [0,2,0,0,0,0|1,0,0]=3 18518 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)OC 527a_100000210581_100000188888 [0,2,0,0,0,0|1,0,0]=3 18519 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)SC 11a_100000210581_100011217804 [0,2,0,0,0,0|1,0,0]=3 18520 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)SC 1626a_100000210581_100011217804 [0,2,0,0,0,0|1,0,0]=3 18521 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)SC 240690a_100000210581_100011217804 [0,2,0,0,0,0|1,0,0]=3 18522 B17R1.9264 CCCCCCNC(=O)c1cccc(c1)SC 527a_100000210581_100011217804 [0,2,0,0,0,0|1,0,0]=3 18523 B17R1.9264 CCCCCCOC(C)c1cccc(c1)OC 34a_100000246466_100000210314 [0,2,0,0,0,0|1,0,1]=4 18524 B17R1.9264 CCCCCCOC(C)c1cccc(c1)OC 7a_100000246466_100000210314 [0,2,0,0,0,0|1,0,1]=4 18525 B17R1.9264 CCCCCNCC(=O)c1cccc(c1)C#N 2230a_100000209983_100000751541 [0,2,0,0,0,0|2,0,0]=4 18526 B17R1.9264 CCCCCNNC(=O)c1cccc(c1)C#N 22a_100000694160_100000183950 [0,2,0,0,0,0|2,0,0]=4 18527 B17R1.9264 CCCCCNNC(=O)c1cccc(c1)CC 22a_100000694160_100011933908 [0,2,0,0,0,0|2,0,0]=4 18528 B17R1.9264 CCCCCNNC(=O)c1cccc(c1)CO 22a_100000694160_100000746274 [0,2,0,0,0,0|2,0,0]=4 18529 B17R1.9264 CCCCCNNC(=O)c1cccc(c1)OC 22a_100000694160_100000188888 [0,2,0,0,0,0|2,0,0]=4 18530 B17R1.9264 CCCCCNNC(=O)c1cccc(c1)SC 22a_100000694160_100011217804 [0,2,0,0,0,0|2,0,0]=4 18531 B17R1.9264 CCCCCOCC(=O)c1cccc(c1)C#N 34a_100000210253_100000751541 [0,2,0,0,0,0|2,0,0]=4 18532 B17R1.9264 CCCCCOCC(=O)c1cccc(c1)C#N 7a_100000210253_100000751541 [0,2,0,0,0,0|2,0,0]=4 18533 B17R1.9264 CCCCCOCC(=O)c1cccc(c1)OC 34a_100000210253_100000211451 [0,2,0,0,0,0|2,0,0]=4 18534 B17R1.9264 CCCCCOCC(=O)c1cccc(c1)OC 7a_100000210253_100000211451 [0,2,0,0,0,0|2,0,0]=4 18535 B17R1.9264 CCCCCSCC(=O)c1cccc(c1)C#N 62a_100000210326_100000751541 [0,2,0,0,0,0|2,0,0]=4 18536 B17R1.9264 CCCCCSCC(=O)c1cccc(c1)OC 62a_100000210326_100000211451 [0,2,0,0,0,0|2,0,0]=4 18537 B17R1.9264 CCCCCSCC(=O)c1cccc(c1)OC 62a_100000211451_100000210326 [0,2,0,0,0,0|2,0,0]=4 18538 B17R1.9264 CCCCOCCC(=O)c1cccc(c1)C#N 1458a_100000183950_100000743108 [0,2,0,0,0,0|2,0,0]=4 18539 B17R1.9264 CCCCOCCC(=O)c1cccc(c1)CC 1458a_100011933908_100000743108 [0,2,0,0,0,0|2,0,0]=4 18540 B17R1.9264 CCCCOCCC(=O)c1cccc(c1)CO 1458a_100000746274_100000743108 [0,2,0,0,0,0|2,0,0]=4 18541 B17R1.9264 CCCCOCCC(=O)c1cccc(c1)OC 1458a_100000188888_100000743108 [0,2,0,0,0,0|2,0,0]=4 18542 B17R1.9264 CCCCOCCC(=O)c1cccc(c1)SC 1458a_100011217804_100000743108 [0,2,0,0,0,0|2,0,0]=4 18543 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)C#N 1626a_100161115042_100000183950 [0,2,0,0,0,0|2,0,0]=4 18544 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)C#N 240690a_100161115042_100000183950 [0,2,0,0,0,0|2,0,0]=4 18545 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)C#N 527a_100161115042_100000183950 [0,2,0,0,0,0|2,0,0]=4 18546 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)CC 1626a_100161115042_100011933908 [0,2,0,0,0,0|2,0,0]=4 18547 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)CC 240690a_100161115042_100011933908 [0,2,0,0,0,0|2,0,0]=4 18548 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)CC 527a_100161115042_100011933908 [0,2,0,0,0,0|2,0,0]=4 18549 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)CO 240690a_100161115042_100000746274 [0,2,0,0,0,0|2,0,0]=4 18550 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)OC 1626a_100161115042_100000188888 [0,2,0,0,0,0|2,0,0]=4 18551 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)OC 240690a_100161115042_100000188888 [0,2,0,0,0,0|2,0,0]=4 18552 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)OC 527a_100161115042_100000188888 [0,2,0,0,0,0|2,0,0]=4 18553 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)SC 1626a_100161115042_100011217804 [0,2,0,0,0,0|2,0,0]=4 18554 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)SC 240690a_100161115042_100011217804 [0,2,0,0,0,0|2,0,0]=4 18555 B17R1.9264 CCCOCCNC(=O)c1cccc(c1)SC 527a_100161115042_100011217804 [0,2,0,0,0,0|2,0,0]=4 18556 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)C#N 11a_100020603323_100000183950 [0,2,0,0,0,0|2,0,0]=4 18557 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)C#N 240690a_100020603323_100000183950 [0,2,0,0,0,0|2,0,0]=4 18558 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)C#N 527a_100020603323_100000183950 [0,2,0,0,0,0|2,0,0]=4 18559 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)C#N 62a_100000210303_100011445461 [0,2,0,0,0,0|2,0,0]=4 18560 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)CC 11a_100020603323_100011933908 [0,2,0,0,0,0|2,0,0]=4 18561 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)CC 240690a_100020603323_100011933908 [0,2,0,0,0,0|2,0,0]=4 18562 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)CC 527a_100020603323_100011933908 [0,2,0,0,0,0|2,0,0]=4 18563 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)CO 240690a_100020603323_100000746274 [0,2,0,0,0,0|2,0,0]=4 18564 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)OC 11a_100020603323_100000188888 [0,2,0,0,0,0|2,0,0]=4 18565 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)OC 240690a_100020603323_100000188888 [0,2,0,0,0,0|2,0,0]=4 18566 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)OC 527a_100020603323_100000188888 [0,2,0,0,0,0|2,0,0]=4 18567 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)SC 11a_100020603323_100011217804 [0,2,0,0,0,0|2,0,0]=4 18568 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)SC 240690a_100020603323_100011217804 [0,2,0,0,0,0|2,0,0]=4 18569 B17R1.9264 CCCSCCNC(=O)c1cccc(c1)SC 527a_100020603323_100011217804 [0,2,0,0,0,0|2,0,0]=4 18570 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)C#N 11a_100000210961_100000183950 [0,2,0,0,0,0|2,0,0]=4 18571 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)C#N 1626a_100000210961_100000183950 [0,2,0,0,0,0|2,0,0]=4 18572 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)C#N 240690a_100000210961_100000183950 [0,2,0,0,0,0|2,0,0]=4 18573 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)C#N 527a_100000210961_100000183950 [0,2,0,0,0,0|2,0,0]=4 18574 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)CC 11a_100000210961_100011933908 [0,2,0,0,0,0|2,0,0]=4 18575 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)CC 1626a_100000210961_100011933908 [0,2,0,0,0,0|2,0,0]=4 18576 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)CC 240690a_100000210961_100011933908 [0,2,0,0,0,0|2,0,0]=4 18577 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)CC 527a_100000210961_100011933908 [0,2,0,0,0,0|2,0,0]=4 18578 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)CO 240690a_100000210961_100000746274 [0,2,0,0,0,0|2,0,0]=4 18579 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)OC 11a_100000210961_100000188888 [0,2,0,0,0,0|2,0,0]=4 18580 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)OC 1626a_100000210961_100000188888 [0,2,0,0,0,0|2,0,0]=4 18581 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)OC 240690a_100000210961_100000188888 [0,2,0,0,0,0|2,0,0]=4 18582 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)OC 527a_100000210961_100000188888 [0,2,0,0,0,0|2,0,0]=4 18583 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)SC 11a_100000210961_100011217804 [0,2,0,0,0,0|2,0,0]=4 18584 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)SC 1626a_100000210961_100011217804 [0,2,0,0,0,0|2,0,0]=4 18585 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)SC 240690a_100000210961_100011217804 [0,2,0,0,0,0|2,0,0]=4 18586 B17R1.9264 CCOCCCNC(=O)c1cccc(c1)SC 527a_100000210961_100011217804 [0,2,0,0,0,0|2,0,0]=4 18587 B17R1.9264 CCc1cccc(c1)C(=O)CCCCCCF 1458a_100011933908_100015922095 [0,2,0,0,0,0|2,0,0]=4 18588 B17R1.9264 CCc1cccc(c1)C(=O)CCCCCCO 1458a_100011933908_100000766143 [0,2,0,0,0,0|2,0,0]=4 18589 B17R1.9264 CCc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100011933908 [0,2,0,0,0,0|2,0,0]=4 18590 B17R1.9264 COc1cccc(c1)C(=O)CCCCCCF 1458a_100000188888_100015922095 [0,2,0,0,0,0|2,0,0]=4 18591 B17R1.9264 COc1cccc(c1)C(=O)CCCCCCO 1458a_100000188888_100000766143 [0,2,0,0,0,0|2,0,0]=4 18592 B17R1.9264 COc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100000188888 [0,2,0,0,0,0|2,0,0]=4 18593 B17R1.9264 CSc1cccc(c1)C(=O)CCCCCCF 1458a_100011217804_100015922095 [0,2,0,0,0,0|2,0,0]=4 18594 B17R1.9264 CSc1cccc(c1)C(=O)CCCCCCO 1458a_100011217804_100000766143 [0,2,0,0,0,0|2,0,0]=4 18595 B17R1.9264 CSc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100011217804 [0,2,0,0,0,0|2,0,0]=4 18596 B17R1.9264 N#Cc1cccc(c1)C(=O)CCCCCCF 1458a_100000183950_100015922095 [0,2,0,0,0,0|2,0,0]=4 18597 B17R1.9264 N#Cc1cccc(c1)C(=O)CCCCCCO 1458a_100000183950_100000766143 [0,2,0,0,0,0|2,0,0]=4 18598 B17R1.9264 N#Cc1cccc(c1)C(=O)NCCCCCO 240690a_100000762737_100000183950 [0,2,0,0,0,0|2,0,0]=4 18599 B17R1.9264 O=C(CCCCCCF)c1cccc(c1)CO 1458a_100000746274_100015922095 [0,2,0,0,0,0|2,0,0]=4 18600 B17R1.9264 O=C(CCCCCCO)c1cccc(c1)CO 1458a_100000746274_100000766143 [0,2,0,0,0,0|2,0,0]=4 18601 B17R1.9264 O=C(NCCCCCO)c1cccc(c1)CO 240690a_100000762737_100000746274 [0,2,0,0,0,0|2,0,0]=4 18602 B17R1.14339 CC(C)CCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210682 [0,2,0,0,0,0|1,0,0]=3 18603 B17R1.14339 CC(C)CCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210682 [0,2,0,0,0,0|1,0,0]=3 18604 B17R1.14339 CC(C)CCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210682 [0,2,0,0,0,0|1,0,0]=3 18605 B17R1.14339 CC(C)CCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210682 [0,2,0,0,0,0|1,0,0]=3 18606 B17R1.14339 CC(C)CCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210682 [0,2,0,0,0,0|1,0,0]=3 18607 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)Br 34a_100000246457_100011216152 [0,2,0,0,0,0|1,0,1]=4 18608 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)Br 7a_100000246457_100011216152 [0,2,0,0,0,0|1,0,1]=4 18609 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)F 34a_100000744526_100011216152 [0,2,0,0,0,0|1,0,1]=4 18610 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)F 7a_100000744526_100011216152 [0,2,0,0,0,0|1,0,1]=4 18611 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)I 34a_100013085317_100011216152 [0,2,0,0,0,0|1,0,1]=4 18612 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)I 7a_100013085317_100011216152 [0,2,0,0,0,0|1,0,1]=4 18613 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)N 34a_100011217120_100011216152 [0,2,0,0,0,0|1,0,1]=4 18614 B17R1.14339 CC(C)CCCCOC(C)c1cccc(c1)N 7a_100011217120_100011216152 [0,2,0,0,0,0|1,0,1]=4 18615 B17R1.14339 CC(C)CCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100011216152 [0,2,0,0,0,0|1,0,1]=4 18616 B17R1.14339 CC(C)CCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100011216152 [0,2,0,0,0,0|1,0,1]=4 18617 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)Br 2230a_200000737386_100000212080 [0,2,0,0,0,0|2,0,0]=4 18618 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)Br 34a_200000737386_100000212080 [0,2,0,0,0,0|2,0,0]=4 18619 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)Cl 2230a_200000737386_100000211444 [0,2,0,0,0,0|2,0,0]=4 18620 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)Cl 34a_200000737386_100000211444 [0,2,0,0,0,0|2,0,0]=4 18621 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)F 2230a_200000737386_100000215616 [0,2,0,0,0,0|2,0,0]=4 18622 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)F 34a_200000737386_100000215616 [0,2,0,0,0,0|2,0,0]=4 18623 B17R1.14339 CC(C)CCCNCC(=O)c1cccc(c1)O 34a_200000737386_100009813753 [0,2,0,0,0,0|2,0,0]=4 18624 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)Br 34a_100000210774_100000212080 [0,2,0,0,0,0|2,0,0]=4 18625 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)Br 7a_100000210774_100000212080 [0,2,0,0,0,0|2,0,0]=4 18626 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)Cl 34a_100000210774_100000211444 [0,2,0,0,0,0|2,0,0]=4 18627 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)Cl 7a_100000210774_100000211444 [0,2,0,0,0,0|2,0,0]=4 18628 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100011214892 [0,2,0,0,0,0|2,0,0]=4 18629 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)F 34a_100000210774_100000215616 [0,2,0,0,0,0|2,0,0]=4 18630 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)F 34a_100011592800_100011214892 [0,2,0,0,0,0|2,0,0]=4 18631 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)F 7a_100011592800_100011214892 [0,2,0,0,0,0|2,0,0]=4 18632 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)O 34a_100000210774_100009813753 [0,2,0,0,0,0|2,0,0]=4 18633 B17R1.14339 CC(C)CCCOCC(=O)c1cccc(c1)O 7a_100000210774_100009813753 [0,2,0,0,0,0|2,0,0]=4 18634 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100011214892 [0,2,0,0,0,0|2,0,0]=4 18635 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)Br 62a_100011214892_100000212080 [0,2,0,0,0,0|2,0,0]=4 18636 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100011214892 [0,2,0,0,0,0|2,0,0]=4 18637 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)Cl 62a_100011214892_100000211444 [0,2,0,0,0,0|2,0,0]=4 18638 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)F 62a_100000215616_100011214892 [0,2,0,0,0,0|2,0,0]=4 18639 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)F 62a_100011214892_100000215616 [0,2,0,0,0,0|2,0,0]=4 18640 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)O 62a_100009813753_100011214892 [0,2,0,0,0,0|2,0,0]=4 18641 B17R1.14339 CC(C)CCCSCC(=O)c1cccc(c1)O 62a_100011214892_100009813753 [0,2,0,0,0,0|2,0,0]=4 18642 B17R1.14339 CC(C)COCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000210624 [0,2,0,0,0,0|2,0,0]=4 18643 B17R1.14339 CC(C)COCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000210760 [0,2,0,0,0,0|2,0,0]=4 18644 B17R1.14339 CC(C)NCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_100000210206 [0,2,0,0,0,0|2,0,0]=4 18645 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Br 11a_100000737246_100000210664 [0,2,0,0,0,0|2,0,0]=4 18646 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Br 1626a_100000737246_100000210664 [0,2,0,0,0,0|2,0,0]=4 18647 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Br 240690a_100000737246_100000210664 [0,2,0,0,0,0|2,0,0]=4 18648 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Br 527a_100000737246_100000210664 [0,2,0,0,0,0|2,0,0]=4 18649 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Cl 11a_100000737246_100000210390 [0,2,0,0,0,0|2,0,0]=4 18650 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Cl 1626a_100000737246_100000210390 [0,2,0,0,0,0|2,0,0]=4 18651 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Cl 240690a_100000737246_100000210390 [0,2,0,0,0,0|2,0,0]=4 18652 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)Cl 527a_100000737246_100000210390 [0,2,0,0,0,0|2,0,0]=4 18653 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)F 11a_100000737246_100000210950 [0,2,0,0,0,0|2,0,0]=4 18654 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)F 1626a_100000737246_100000210950 [0,2,0,0,0,0|2,0,0]=4 18655 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)F 240690a_100000737246_100000210950 [0,2,0,0,0,0|2,0,0]=4 18656 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)F 527a_100000737246_100000210950 [0,2,0,0,0,0|2,0,0]=4 18657 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)I 11a_100000737246_100000184098 [0,2,0,0,0,0|2,0,0]=4 18658 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)I 1626a_100000737246_100000184098 [0,2,0,0,0,0|2,0,0]=4 18659 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)I 240690a_100000737246_100000184098 [0,2,0,0,0,0|2,0,0]=4 18660 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)I 527a_100000737246_100000184098 [0,2,0,0,0,0|2,0,0]=4 18661 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)O 240690a_100000737246_100000183914 [0,2,0,0,0,0|2,0,0]=4 18662 B17R1.14339 CC(C)OCCCNC(=O)c1cccc(c1)O 527a_100000737246_100000183914 [0,2,0,0,0,0|2,0,0]=4 18663 B17R1.14339 CC(O)CCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_200000718107 [0,2,0,0,0,0|2,0,0]=4 18664 B17R1.14339 CC(O)CCCOCC(=O)c1cccc(c1)F 34a_100011592800_200000718107 [0,2,0,0,0,0|2,0,0]=4 18665 B17R1.14339 CC(O)CCCOCC(=O)c1cccc(c1)F 7a_100011592800_200000718107 [0,2,0,0,0,0|2,0,0]=4 18666 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)Br 62a_100000212080_200000718107 [0,2,0,0,0,0|2,0,0]=4 18667 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)Br 62a_200000718107_100000212080 [0,2,0,0,0,0|2,0,0]=4 18668 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_200000718107 [0,2,0,0,0,0|2,0,0]=4 18669 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)Cl 62a_200000718107_100000211444 [0,2,0,0,0,0|2,0,0]=4 18670 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)F 62a_100000215616_200000718107 [0,2,0,0,0,0|2,0,0]=4 18671 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)F 62a_200000718107_100000215616 [0,2,0,0,0,0|2,0,0]=4 18672 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)O 62a_100009813753_200000718107 [0,2,0,0,0,0|2,0,0]=4 18673 B17R1.14339 CC(O)CCCSCC(=O)c1cccc(c1)O 62a_200000718107_100009813753 [0,2,0,0,0,0|2,0,0]=4 18674 B17R1.14339 CC(O)COCCNC(=O)c1cccc(c1)Br 34a_200000158903_100011218427 [0,2,0,0,0,0|2,0,0]=4 18675 B17R1.14339 CC(O)COCCNC(=O)c1cccc(c1)Br 7a_200000158903_100011218427 [0,2,0,0,0,0|2,0,0]=4 18676 B17R1.14339 CN(C)CCCCNC(=O)c1cccc(c1)Br 240690a_100025707445_100000210664 [0,2,0,0,0,0|2,0,0]=4 18677 B17R1.14339 CN(C)CCCCNC(=O)c1cccc(c1)Cl 240690a_100025707445_100000210390 [0,2,0,0,0,0|2,0,0]=4 18678 B17R1.14339 CN(C)CCCCNC(=O)c1cccc(c1)F 240690a_100025707445_100000210950 [0,2,0,0,0,0|2,0,0]=4 18679 B17R1.14339 CN(C)CCCCNC(=O)c1cccc(c1)I 240690a_100025707445_100000184098 [0,2,0,0,0,0|2,0,0]=4 18680 B17R1.14339 CN(C)CCCCNC(=O)c1cccc(c1)O 240690a_100025707445_100000183914 [0,2,0,0,0,0|2,0,0]=4 18681 B17R1.14339 C[C@@H](O)COCCNC(=O)c1cccc(c1)Br 34a_200000158903_100009817552 [0,2,0,0,0,0|2,0,0]=4 18682 B17R1.14339 C[C@@H](O)COCCNC(=O)c1cccc(c1)Br 7a_200000158903_100009817552 [0,2,0,0,0,0|2,0,0]=4 18683 B17R1.14339 Cc1cccc(c1)C(=O)CCCCCC(C)C 1458a_100000189346_100000210682 [0,2,0,0,0,0|1,0,0]=3 18684 B17R1.14339 Cc1cccc(c1)C(=O)CNCCCC(C)C 2230a_200000737386_100000739480 [0,2,0,0,0,0|2,0,0]=4 18685 B17R1.14339 Cc1cccc(c1)C(=O)CNCCCC(C)C 34a_200000737386_100000739480 [0,2,0,0,0,0|2,0,0]=4 18686 B17R1.14339 Cc1cccc(c1)C(=O)COCCCC(C)C 34a_100000210774_100000739480 [0,2,0,0,0,0|2,0,0]=4 18687 B17R1.14339 Cc1cccc(c1)C(=O)COCCCC(C)C 7a_100000210774_100000739480 [0,2,0,0,0,0|2,0,0]=4 18688 B17R1.14339 Cc1cccc(c1)C(=O)CSCCCC(C)C 62a_100000739480_100011214892 [0,2,0,0,0,0|2,0,0]=4 18689 B17R1.14339 Cc1cccc(c1)C(=O)CSCCCC(C)C 62a_100011214892_100000739480 [0,2,0,0,0,0|2,0,0]=4 18690 B17R1.14339 Cc1cccc(c1)C(=O)CSCCCC(C)O 62a_100000739480_200000718107 [0,2,0,0,0,0|2,0,0]=4 18691 B17R1.14339 Cc1cccc(c1)C(=O)CSCCCC(C)O 62a_200000718107_100000739480 [0,2,0,0,0,0|2,0,0]=4 18692 B17R1.14339 Cc1cccc(c1)C(=O)NCCCCN(C)C 240690a_100025707445_100000189346 [0,2,0,0,0,0|2,0,0]=4 18693 B17R1.14339 Cc1cccc(c1)C(=O)NCCCOC(C)C 11a_100000737246_100000189346 [0,2,0,0,0,0|2,0,0]=4 18694 B17R1.14339 Cc1cccc(c1)C(=O)NCCCOC(C)C 1626a_100000737246_100000189346 [0,2,0,0,0,0|2,0,0]=4 18695 B17R1.14339 Cc1cccc(c1)C(=O)NCCCOC(C)C 240690a_100000737246_100000189346 [0,2,0,0,0,0|2,0,0]=4 18696 B17R1.14339 Cc1cccc(c1)C(=O)NCCCOC(C)C 527a_100000737246_100000189346 [0,2,0,0,0,0|2,0,0]=4 18697 B17R1.14339 Cc1cccc(c1)C(C)OCCCCC(C)C 34a_100000757818_100011216152 [0,2,0,0,0,0|1,0,1]=4 18698 B17R1.14339 Cc1cccc(c1)C(C)OCCCCC(C)C 7a_100000757818_100011216152 [0,2,0,0,0,0|1,0,1]=4 18699 B17R1.1327 C=C(C)CCC(=O)COC(=O)c1ccccc1 1458a_200000688413_100000073877 [0,2,0,0,0,0|0,0,2]=4 18700 B17R1.1327 CC(C)CCC(=O)CCC(=O)c1ccccc1 1458a_100000181311_100000750707 [0,2,0,0,0,0|1,0,1]=4 18701 B17R1.1327 CC(C)CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210312 [0,2,0,0,0,0|1,0,1]=4 18702 B17R1.1327 CC(C)CCC(=O)COC(=O)c1ccccc1 1458a_100000181311_100000073877 [0,2,0,0,0,0|0,0,1]=3 18703 B17R1.1327 CC(C)CCC(C)OCC(=O)c1ccccc1 7a_100011215350_100000211460 [0,2,0,0,0,0|2,0,0]=4 18704 B17R1.1327 CC(C)CCC(C)SCC(=O)c1ccccc1 62a_100000211460_100011261404 [0,2,0,0,0,0|2,0,0]=4 18705 B17R1.1327 CC(C)CCC(C)SCC(=O)c1ccccc1 62a_100011261404_100000211460 [0,2,0,0,0,0|2,0,0]=4 18706 B17R1.1327 CC(C)CCN(C)CCC(=O)c1ccccc1 2230a_100000742789_100000750707 [0,2,0,0,0,0|2,0,0]=4 18707 B17R1.1327 CC(C)CCN(C)CCC(=O)c1ccccc1 269982a_100000742789_100000750707 [0,2,0,0,0,0|2,0,0]=4 18708 B17R1.1327 CC(C)CCN(C)COC(=O)c1ccccc1 269982a_100000742789_100000073877 [0,2,0,0,0,0|1,0,0]=3 18709 B17R1.1327 CC(C)CNC(C)COC(=O)c1ccccc1 270004a_100000210953_100000000904 [0,2,0,0,0,0|1,0,0]=3 18710 B17R1.1327 CC(C)COC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210760 [0,2,0,0,0,0|2,0,0]=4 18711 B17R1.1327 CC(C)OCC(=O)COC(=O)c1ccccc1 1458a_100000745533_100000073877 [0,2,0,0,0,0|1,0,1]=4 18712 B17R1.1327 CC(C)SCC(=O)COC(=O)c1ccccc1 1458a_100000241585_100000073877 [0,2,0,0,0,0|1,0,1]=4 18713 B17R1.1327 CC(CCC(=O)c1ccccc1)OC[C@@H](C)O 7a_200012571355_100009817552 [0,2,0,0,0,0|2,0,0]=4 18714 B17R1.1327 CC(COC(=O)c1ccccc1)NCC(F)F 270004a_100000765723_100000000904 [0,2,0,0,0,0|2,0,0]=4 18715 B17R1.1327 CC(O)CCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100012276601 [0,2,0,0,0,0|1,0,1]=4 18716 B17R1.1327 CC(O)CNC(C)COC(=O)c1ccccc1 270004a_100000210904_100000000904 [0,2,0,0,0,0|1,0,0]=3 18717 B17R1.1327 CC(O)COC(C)CCC(=O)c1ccccc1 7a_200012571355_100011218427 [0,2,0,0,0,0|2,0,0]=4 18718 B17R1.1327 CN(C)CCN(C)COC(=O)c1ccccc1 269982a_100000225618_100000073877 [0,2,0,0,0,0|2,0,0]=4 18719 B17R1.1327 C[S+](C)CCC(=O)COC(=O)c1ccccc1 1458a_100009452791_100000073877 [0,2,0,0,0,0|1,0,1]=4 18720 B17R1.1329 C=C(C(=O)CCCCC(C)C)c1ccccc1 1458a_100000065200_100011216152 [0,2,0,0,0,0|2,0,0]=4 18721 B17R1.1329 CC(C)CCCNC(C)C(=O)c1ccccc1 2230a_200000737386_100000239700 [0,2,0,0,0,0|2,0,0]=4 18722 B17R1.1329 CC(C)CCCOC(C)C(=O)c1ccccc1 7a_100000210774_100000239700 [0,2,0,0,0,0|2,0,0]=4 18723 B17R1.1329 CC(C)CCCSC(C)C(=O)c1ccccc1 62a_100000239700_100011214892 [0,2,0,0,0,0|2,0,0]=4 18724 B17R1.1329 CC(C)CCCSC(C)C(=O)c1ccccc1 62a_100011214892_100000239700 [0,2,0,0,0,0|2,0,0]=4 18725 B17R1.1329 CC(O)CCCSC(C)C(=O)c1ccccc1 62a_100000239700_200000718107 [0,2,0,0,0,0|2,0,0]=4 18726 B17R1.1329 CC(O)CCCSC(C)C(=O)c1ccccc1 62a_200000718107_100000239700 [0,2,0,0,0,0|2,0,0]=4 18727 B17R1.2579 C#CC(OCCCCC(C)C)c1ccccc1 34a_100011219616_100011216152 [0,2,0,0,0,0|1,0,1]=4 18728 B17R1.2579 C#CC(OCCCCC(C)C)c1ccccc1 7a_100011219616_100011216152 [0,2,0,0,0,0|1,0,1]=4 18729 B17R1.2579 C=CC(OCCCCC(C)C)c1ccccc1 34a_100011215659_100011216152 [0,2,0,0,0,0|1,0,1]=4 18730 B17R1.2579 C=CC(OCCCCC(C)C)c1ccccc1 7a_100011215659_100011216152 [0,2,0,0,0,0|1,0,1]=4 18731 B17R1.2579 CC(C)CCCCOC(C#N)c1ccccc1 7a_100011217353_100011216152 [0,2,0,0,0,0|1,0,1]=4 18732 B17R1.2579 CC(C)CCCCOC(CBr)c1ccccc1 7a_100000185958_100011216152 [0,2,0,0,0,0|1,0,1]=4 18733 B17R1.2579 CC(C)CCCCOC(CN)c1ccccc1 34a_100000210709_100011216152 [0,2,0,0,0,0|1,0,1]=4 18734 B17R1.2579 CC(C)CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011216152 [0,2,0,0,0,0|1,0,1]=4 18735 B17R1.2579 CC(C)CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011216152 [0,2,0,0,0,0|1,0,1]=4 18736 B17R1.2579 CCC(OCCCCC(C)C)c1ccccc1 34a_100000698172_100011216152 [0,2,0,0,0,0|1,0,1]=4 18737 B17R1.2579 CCC(OCCCCC(C)C)c1ccccc1 7a_100000698172_100011216152 [0,2,0,0,0,0|1,0,1]=4 18738 B17R1.4483 C=C(C)C(=O)CCCOC(=O)c1ccccc1 1458a_100000185857_200009892979 [0,2,0,0,0,0|0,0,2]=4 18739 B17R1.4483 CC(=O)C(C)COCOC(=O)c1ccccc1 7a_100000032740_100000073877 [0,2,0,0,0,0|1,0,1]=4 18740 B17R1.4483 CC(=O)C(C)OCCOC(=O)c1ccccc1 34a_100000212229_100009812718 [0,2,0,0,0,0|1,0,1]=4 18741 B17R1.4483 CC(=O)C(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000179758 [0,2,0,0,0,0|1,0,1]=4 18742 B17R1.4483 CC(=O)C(C)SCCOC(=O)c1ccccc1 62a_100009812718_100009814033 [0,2,0,0,0,0|1,0,1]=4 18743 B17R1.4483 CC(=O)C(C)SCCOC(=O)c1ccccc1 62a_100009814033_100009812718 [0,2,0,0,0,0|1,0,1]=4 18744 B17R1.4483 CC(C)C(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_100000210206 [0,2,0,0,0,0|1,0,1]=4 18745 B17R1.4483 CC(C)C(=O)CCCOC(=O)c1ccccc1 1458a_100000210198_200009892979 [0,2,0,0,0,0|0,0,1]=3 18746 B17R1.4483 CC(C)C(=O)CSCOC(=O)c1ccccc1 62a_100000073877_100000753385 [0,2,0,0,0,0|1,0,1]=4 18747 B17R1.4483 CC(C)C(=O)CSCOC(=O)c1ccccc1 62a_100000753385_100000073877 [0,2,0,0,0,0|1,0,1]=4 18748 B17R1.4483 CC(C)C(C)NCCCC(=O)c1ccccc1 2230a_100000211541_100000211006 [0,2,0,0,0,0|2,0,0]=4 18749 B17R1.4483 CC(C)C(C)OCCCC(=O)c1ccccc1 7a_100000748068_100000211006 [0,2,0,0,0,0|2,0,0]=4 18750 B17R1.4483 CC(C)C(C)OCCNC(=O)c1ccccc1 7a_100000748068_200011215302 [0,2,0,0,0,0|2,0,0]=4 18751 B17R1.4483 CC(C)C(C)OCCOC(=O)c1ccccc1 7a_100000748068_100000184176 [0,2,0,0,0,0|1,0,0]=3 18752 B17R1.4483 CC(C)C(O)CNCCC(=O)c1ccccc1 2230a_100000759067_100000750707 [0,2,0,0,0,0|2,0,0]=4 18753 B17R1.4483 CC(C)N(C)CCCOC(=O)c1ccccc1 269982a_200000211004_200009892979 [0,2,0,0,0,0|1,0,0]=3 18754 B17R1.4483 CC(F)C(=O)CCCOC(=O)c1ccccc1 1458a_100000062450_200009892979 [0,2,0,0,0,0|0,0,1]=3 18755 B17R1.4483 C[C@@H](O)C(=O)CCCOC(=O)c1ccccc1 1458a_100000717761_200009892979 [0,2,0,0,0,0|0,0,1]=3 18756 B17R1.4483 C[C@H](O)C(=O)CCCOC(=O)c1ccccc1 1458a_217856618621_200009892979 [0,2,0,0,0,0|0,0,1]=3 18757 B17R1.4483 O=C(OCCCC(=O)C(O)O)c1ccccc1 1458a_100000233687_200009892979 [0,2,0,0,0,0|1,0,1]=4 18758 B17R1.8305 C=C(C)CN(C)CCOC(=O)c1ccccc1 269982a_100000225649_100009812718 [0,2,0,0,0,0|1,0,1]=4 18759 B17R1.8305 CC(C)CC(=O)CCCC(=O)c1ccccc1 1458a_100000210554_100000211006 [0,2,0,0,0,0|1,0,1]=4 18760 B17R1.8305 CC(C)CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210624 [0,2,0,0,0,0|1,0,1]=4 18761 B17R1.8305 CC(C)CC(=O)CCNC(=O)c1ccccc1 1458a_100000210554_200011215302 [0,2,0,0,0,0|1,0,1]=4 18762 B17R1.8305 CC(C)CC(=O)CCOC(=O)c1ccccc1 1458a_100000210554_100000184176 [0,2,0,0,0,0|0,0,1]=3 18763 B17R1.8305 CC(C)CC(C)NCCC(=O)c1ccccc1 2230a_100000692259_100000750707 [0,2,0,0,0,0|2,0,0]=4 18764 B17R1.8305 CC(C)CC(C)OCCC(=O)c1ccccc1 7a_100000211805_100000750707 [0,2,0,0,0,0|2,0,0]=4 18765 B17R1.8305 CC(C)CC(C)OCOC(=O)c1ccccc1 7a_100000211805_100000073877 [0,2,0,0,0,0|1,0,0]=3 18766 B17R1.8305 CC(C)CC(C)SCCC(=O)c1ccccc1 62a_100000731052_100000750707 [0,2,0,0,0,0|2,0,0]=4 18767 B17R1.8305 CC(C)CC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000731052 [0,2,0,0,0,0|2,0,0]=4 18768 B17R1.8305 CC(C)CC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000731052 [0,2,0,0,0,0|1,0,0]=3 18769 B17R1.8305 CC(C)CC(C)SCOC(=O)c1ccccc1 62a_100000731052_100000073877 [0,2,0,0,0,0|1,0,0]=3 18770 B17R1.8305 CC(C)CN(C)CCCC(=O)c1ccccc1 2230a_100000747067_100000211006 [0,2,0,0,0,0|2,0,0]=4 18771 B17R1.8305 CC(C)CN(C)CCCC(=O)c1ccccc1 269982a_100000747067_100000211006 [0,2,0,0,0,0|2,0,0]=4 18772 B17R1.8305 CC(C)CN(C)CCNC(=O)c1ccccc1 269982a_100000747067_200011215302 [0,2,0,0,0,0|2,0,0]=4 18773 B17R1.8305 CC(C)CN(C)CCOC(=O)c1ccccc1 269982a_100000747067_100009812718 [0,2,0,0,0,0|1,0,0]=3 18774 B17R1.8305 CC(C)C[C@H](N)CCOC(C)c1ccccc1 34a_100161151251_100000211855 [0,2,0,0,0,0|1,0,1]=4 18775 B17R1.8305 CC(CN(C)C)SCOC(=O)c1ccccc1 62a_100000073877_100020606517 [0,2,0,0,0,0|2,0,0]=4 18776 B17R1.8305 CC(CN(C)C)SCOC(=O)c1ccccc1 62a_100020606517_100000073877 [0,2,0,0,0,0|2,0,0]=4 18777 B17R1.8305 CC(O)CC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100011218427 [0,2,0,0,0,0|1,0,1]=4 18778 B17R1.8305 CC(O)CN(C)CCCC(=O)c1ccccc1 2230a_100000227577_100000211006 [0,2,0,0,0,0|2,0,0]=4 18779 B17R1.8305 CC(O)CN(C)CCCC(=O)c1ccccc1 269982a_100000227577_100000211006 [0,2,0,0,0,0|2,0,0]=4 18780 B17R1.8305 CC(O)CN(C)CCNC(=O)c1ccccc1 269982a_100000227577_200011215302 [0,2,0,0,0,0|2,0,0]=4 18781 B17R1.8305 CC(O)CN(C)CCOC(=O)c1ccccc1 269982a_100000227577_100009812718 [0,2,0,0,0,0|1,0,0]=3 18782 B17R1.8305 CN(C)CC(=O)CCOC(=O)c1ccccc1 1458a_100000750896_100000184176 [0,2,0,0,0,0|1,0,1]=4 18783 B17R1.8305 C[C@@H](O)CC(=O)CCCC(=O)c1ccccc1 1458a_100011933948_100000211006 [0,2,0,0,0,0|1,0,1]=4 18784 B17R1.8305 C[C@@H](O)CC(=O)CCNC(=O)c1ccccc1 1458a_100011933948_200011215302 [0,2,0,0,0,0|1,0,1]=4 18785 B17R1.8305 C[C@@H](O)CC(=O)CCOC(=O)c1ccccc1 1458a_100011933948_100000184176 [0,2,0,0,0,0|0,0,1]=3 18786 B17R1.8305 C[S+](C)CC(=O)CCOC(=O)c1ccccc1 1458a_200159257847_100000184176 [0,2,0,0,0,0|1,0,1]=4 18787 B17R1.9281 CC(Br)COCCOS(=O)(=O)c1ccccc1 34a_100012180447_200000070464 [0,2,0,0,0,0|2,0,0]=4 18788 B17R1.9281 CC(C)CCCCOC(C)(C)c1ccccc1 7a_100000694644_100011216152 [0,2,0,0,0,0|1,0,1]=4 18789 B17R1.9281 CC(C)CCCCOC(F)(F)c1ccccc1 7a_100011214890_100000036403 [0,2,0,0,0,0|1,0,1]=4 18790 B17R1.9281 CC(C)CNCCOS(=O)(=O)c1ccccc1 34a_100000210953_200000070464 [0,2,0,0,0,0|2,0,0]=4 18791 B17R1.9281 CC(C)COCCOS(=O)(=O)c1ccccc1 34a_100000210257_200000070464 [0,2,0,0,0,0|2,0,0]=4 18792 B17R1.9281 CC(C)CSCCOS(=O)(=O)c1ccccc1 62a_100000210624_200000070464 [0,2,0,0,0,0|2,0,0]=4 18793 B17R1.9281 CC(F)COCCOS(=O)(=O)c1ccccc1 34a_100015925927_200000070464 [0,2,0,0,0,0|2,0,0]=4 18794 B17R1.9281 CC(O)CNCCOS(=O)(=O)c1ccccc1 34a_100000210904_200000070464 [0,2,0,0,0,0|2,0,0]=4 18795 B17R1.9281 CC(O)CSCCOS(=O)(=O)c1ccccc1 62a_100011218427_200000070464 [0,2,0,0,0,0|2,0,0]=4 18796 B17R1.9281 C[C@@H](Cl)COCCOS(=O)(=O)c1ccccc1 34a_100016084084_200000070464 [0,2,0,0,0,0|2,0,0]=4 18797 B17R1.9281 C[C@@H](N)COCCOS(=O)(=O)c1ccccc1 34a_100000737577_200000070464 [0,2,0,0,0,0|2,0,0]=4 18798 B17R1.9281 C[C@@H](O)CSCCOS(=O)(=O)c1ccccc1 62a_100009817552_200000070464 [0,2,0,0,0,0|2,0,0]=4 18799 B17R1.13883 CC(C)CCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210682 [0,2,0,0,0,0|1,0,0]=3 18800 B17R1.13883 CC(C)CCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210682 [0,2,0,0,0,0|1,0,0]=3 18801 B17R1.13883 CC(C)CCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210682 [0,2,0,0,0,0|1,0,0]=3 18802 B17R1.13883 CC(C)CCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210682 [0,2,0,0,0,0|1,0,0]=3 18803 B17R1.13883 CC(C)CCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210682 [0,2,0,0,0,0|1,0,0]=3 18804 B17R1.13883 CC(C)CCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210682 [0,2,0,0,0,0|1,0,0]=3 18805 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1Br 34a_100000702211_100011216152 [0,2,0,0,0,0|1,0,1]=4 18806 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1Br 7a_100000702211_100011216152 [0,2,0,0,0,0|1,0,1]=4 18807 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1Cl 34a_100000740796_100011216152 [0,2,0,0,0,0|1,0,1]=4 18808 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1Cl 7a_100000740796_100011216152 [0,2,0,0,0,0|1,0,1]=4 18809 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1Cl 7a_100011214890_100000181259 [0,2,0,0,0,0|1,0,1]=4 18810 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1F 34a_100000697922_100011216152 [0,2,0,0,0,0|1,0,1]=4 18811 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1F 34a_100011214890_200000741388 [0,2,0,0,0,0|1,0,1]=4 18812 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1F 7a_100000697922_100011216152 [0,2,0,0,0,0|1,0,1]=4 18813 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1F 7a_100011214890_200000741388 [0,2,0,0,0,0|1,0,1]=4 18814 B17R1.13883 CC(C)CCCCOC(C)c1ccccc1N 7a_100011405641_100011216152 [0,2,0,0,0,0|1,0,1]=4 18815 B17R1.13883 CC(C)CCCNCC(=O)c1ccccc1Br 34a_200000737386_100000199116 [0,2,0,0,0,0|2,0,0]=4 18816 B17R1.13883 CC(C)CCCNCC(=O)c1ccccc1Cl 34a_200000737386_100000211432 [0,2,0,0,0,0|2,0,0]=4 18817 B17R1.13883 CC(C)CCCNCC(=O)c1ccccc1F 34a_200000737386_100000204681 [0,2,0,0,0,0|2,0,0]=4 18818 B17R1.13883 CC(C)CCCOCC(=O)c1ccccc1Br 34a_100000210774_100000199116 [0,2,0,0,0,0|2,0,0]=4 18819 B17R1.13883 CC(C)CCCOCC(=O)c1ccccc1Cl 34a_100000210774_100000211432 [0,2,0,0,0,0|2,0,0]=4 18820 B17R1.13883 CC(C)CCCOCC(=O)c1ccccc1F 34a_100000210774_100000204681 [0,2,0,0,0,0|2,0,0]=4 18821 B17R1.13883 CC(C)CCCOCC(=O)c1ccccc1F 7a_100000210774_100000204681 [0,2,0,0,0,0|2,0,0]=4 18822 B17R1.13883 CC(C)CCCOCC(=O)c1ccccc1O 7a_100000210774_100000188908 [0,2,0,0,0,0|2,0,0]=4 18823 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1Br 62a_100000199116_100011214892 [0,2,0,0,0,0|2,0,0]=4 18824 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1Cl 62a_100000211432_100011214892 [0,2,0,0,0,0|2,0,0]=4 18825 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1Cl 62a_100011214892_100000211432 [0,2,0,0,0,0|2,0,0]=4 18826 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1F 62a_100000204681_100011214892 [0,2,0,0,0,0|2,0,0]=4 18827 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1F 62a_100011214892_100000204681 [0,2,0,0,0,0|2,0,0]=4 18828 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1O 62a_100000188908_100011214892 [0,2,0,0,0,0|2,0,0]=4 18829 B17R1.13883 CC(C)CCCSCC(=O)c1ccccc1O 62a_100011214892_100000188908 [0,2,0,0,0,0|2,0,0]=4 18830 B17R1.13883 CC(C)CCOCCC(=O)c1ccccc1F 7a_100000210254_100000086012 [0,2,0,0,0,0|2,0,0]=4 18831 B17R1.13883 CC(C)CCOCCC(=O)c1ccccc1O 7a_100000210254_100009873196 [0,2,0,0,0,0|2,0,0]=4 18832 B17R1.13883 CC(C)CCSCCC(=O)c1ccccc1F 62a_100000086012_100000210312 [0,2,0,0,0,0|2,0,0]=4 18833 B17R1.13883 CC(C)CCSCCC(=O)c1ccccc1F 62a_100000210312_100000086012 [0,2,0,0,0,0|2,0,0]=4 18834 B17R1.13883 CC(C)CCSCCC(=O)c1ccccc1O 62a_100000210312_100009873196 [0,2,0,0,0,0|2,0,0]=4 18835 B17R1.13883 CC(C)CNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210760 [0,2,0,0,0,0|2,0,0]=4 18836 B17R1.13883 CC(C)CNCCNC(=O)c1ccccc1Cl 270004a_100000737833_100000210432 [0,2,0,0,0,0|2,0,0]=4 18837 B17R1.13883 CC(C)CNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210624 [0,2,0,0,0,0|2,0,0]=4 18838 B17R1.13883 CC(C)COCCNC(=O)c1ccccc1Br 34a_200000158863_100000210624 [0,2,0,0,0,0|2,0,0]=4 18839 B17R1.13883 CC(C)COCCNC(=O)c1ccccc1Br 7a_200000158863_100000210760 [0,2,0,0,0,0|2,0,0]=4 18840 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Br 11a_100000737246_100000188424 [0,2,0,0,0,0|2,0,0]=4 18841 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Br 1626a_100000737246_100000188424 [0,2,0,0,0,0|2,0,0]=4 18842 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Br 240690a_100000737246_100000188424 [0,2,0,0,0,0|2,0,0]=4 18843 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Br 527a_100000737246_100000188424 [0,2,0,0,0,0|2,0,0]=4 18844 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Cl 11a_100000737246_100000185844 [0,2,0,0,0,0|2,0,0]=4 18845 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Cl 1626a_100000737246_100000185844 [0,2,0,0,0,0|2,0,0]=4 18846 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Cl 240690a_100000737246_100000185844 [0,2,0,0,0,0|2,0,0]=4 18847 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1Cl 527a_100000737246_100000185844 [0,2,0,0,0,0|2,0,0]=4 18848 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1F 11a_100000737246_100000188656 [0,2,0,0,0,0|2,0,0]=4 18849 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1F 1626a_100000737246_100000188656 [0,2,0,0,0,0|2,0,0]=4 18850 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1F 240690a_100000737246_100000188656 [0,2,0,0,0,0|2,0,0]=4 18851 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1F 527a_100000737246_100000188656 [0,2,0,0,0,0|2,0,0]=4 18852 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1I 11a_100000737246_100000187884 [0,2,0,0,0,0|2,0,0]=4 18853 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1I 1626a_100000737246_100000187884 [0,2,0,0,0,0|2,0,0]=4 18854 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1I 240690a_100000737246_100000187884 [0,2,0,0,0,0|2,0,0]=4 18855 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1I 527a_100000737246_100000187884 [0,2,0,0,0,0|2,0,0]=4 18856 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1N 34a_200011191992_100000210206 [0,2,0,0,0,0|2,0,0]=4 18857 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1O 240690a_100000737246_100015234032 [0,2,0,0,0,0|2,0,0]=4 18858 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1[O-] 1626a_100000737246_100009911694 [0,2,0,0,0,0|2,0,0]=4 18859 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1[O-] 240690a_100000737246_100009911694 [0,2,0,0,0,0|2,0,0]=4 18860 B17R1.13883 CC(C)OCCCNC(=O)c1ccccc1[O-] 527a_100000737246_100009911694 [0,2,0,0,0,0|2,0,0]=4 18861 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1Br 62a_100000199116_200000718107 [0,2,0,0,0,0|2,0,0]=4 18862 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1Cl 62a_100000211432_200000718107 [0,2,0,0,0,0|2,0,0]=4 18863 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1Cl 62a_200000718107_100000211432 [0,2,0,0,0,0|2,0,0]=4 18864 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1F 62a_100000204681_200000718107 [0,2,0,0,0,0|2,0,0]=4 18865 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1F 62a_200000718107_100000204681 [0,2,0,0,0,0|2,0,0]=4 18866 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1O 62a_100000188908_200000718107 [0,2,0,0,0,0|2,0,0]=4 18867 B17R1.13883 CC(O)CCCSCC(=O)c1ccccc1O 62a_200000718107_100000188908 [0,2,0,0,0,0|2,0,0]=4 18868 B17R1.13883 CC(O)CCNCCC(=O)c1ccccc1F 2230a_200000755665_100000086012 [0,2,0,0,0,0|2,0,0]=4 18869 B17R1.13883 CC(O)CCSCCC(=O)c1ccccc1F 62a_100000086012_100012276601 [0,2,0,0,0,0|2,0,0]=4 18870 B17R1.13883 CC(O)CCSCCC(=O)c1ccccc1F 62a_100012276601_100000086012 [0,2,0,0,0,0|2,0,0]=4 18871 B17R1.13883 CC(O)CCSCCC(=O)c1ccccc1O 62a_100012276601_100009873196 [0,2,0,0,0,0|2,0,0]=4 18872 B17R1.13883 CC(O)CNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100011218427 [0,2,0,0,0,0|2,0,0]=4 18873 B17R1.13883 CC(O)CNCCNC(=O)c1ccccc1Cl 34a_100000737833_100011218427 [0,2,0,0,0,0|2,0,0]=4 18874 B17R1.13883 CC(O)COCCNC(=O)c1ccccc1Br 34a_200000158863_100011218427 [0,2,0,0,0,0|2,0,0]=4 18875 B17R1.13883 CC(O)COCCNC(=O)c1ccccc1Br 7a_200000158863_100011218427 [0,2,0,0,0,0|2,0,0]=4 18876 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1Br 240690a_100025707445_100000188424 [0,2,0,0,0,0|2,0,0]=4 18877 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1Cl 240690a_100025707445_100000185844 [0,2,0,0,0,0|2,0,0]=4 18878 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1F 240690a_100025707445_100000188656 [0,2,0,0,0,0|2,0,0]=4 18879 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1I 240690a_100025707445_100000187884 [0,2,0,0,0,0|2,0,0]=4 18880 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1O 240690a_100025707445_100015234032 [0,2,0,0,0,0|2,0,0]=4 18881 B17R1.13883 CN(C)CCCCNC(=O)c1ccccc1[O-] 240690a_100025707445_100009911694 [0,2,0,0,0,0|2,0,0]=4 18882 B17R1.13883 C[C@@H](O)CNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100009817552 [0,2,0,0,0,0|2,0,0]=4 18883 B17R1.13883 C[C@@H](O)CNCCNC(=O)c1ccccc1Cl 34a_100000737833_100009817552 [0,2,0,0,0,0|2,0,0]=4 18884 B17R1.13883 C[C@@H](O)COCCNC(=O)c1ccccc1Br 34a_200000158863_100009817552 [0,2,0,0,0,0|2,0,0]=4 18885 B17R1.13883 C[C@@H](O)COCCNC(=O)c1ccccc1Br 7a_200000158863_100009817552 [0,2,0,0,0,0|2,0,0]=4 18886 B17R1.13883 Cc1ccccc1C(=O)CCCCCC(C)C 1458a_100000212026_100000210682 [0,2,0,0,0,0|1,0,0]=3 18887 B17R1.13883 Cc1ccccc1C(=O)CNCCCC(C)C 2230a_200000737386_100000741374 [0,2,0,0,0,0|2,0,0]=4 18888 B17R1.13883 Cc1ccccc1C(=O)CNCCCC(C)C 34a_200000737386_100000741374 [0,2,0,0,0,0|2,0,0]=4 18889 B17R1.13883 Cc1ccccc1C(=O)COCCCC(C)C 34a_100000210774_100000741374 [0,2,0,0,0,0|2,0,0]=4 18890 B17R1.13883 Cc1ccccc1C(=O)COCCCC(C)C 7a_100000210774_100000741374 [0,2,0,0,0,0|2,0,0]=4 18891 B17R1.13883 Cc1ccccc1C(=O)CSCCCC(C)C 62a_100000741374_100011214892 [0,2,0,0,0,0|2,0,0]=4 18892 B17R1.13883 Cc1ccccc1C(=O)CSCCCC(C)C 62a_100011214892_100000741374 [0,2,0,0,0,0|2,0,0]=4 18893 B17R1.13883 Cc1ccccc1C(=O)CSCCCC(C)O 62a_100000741374_200000718107 [0,2,0,0,0,0|2,0,0]=4 18894 B17R1.13883 Cc1ccccc1C(=O)CSCCCC(C)O 62a_200000718107_100000741374 [0,2,0,0,0,0|2,0,0]=4 18895 B17R1.13883 Cc1ccccc1C(=O)NCCCCN(C)C 240690a_100025707445_100000212026 [0,2,0,0,0,0|2,0,0]=4 18896 B17R1.13883 Cc1ccccc1C(=O)NCCCOC(C)C 11a_100000737246_100000212026 [0,2,0,0,0,0|2,0,0]=4 18897 B17R1.13883 Cc1ccccc1C(=O)NCCCOC(C)C 1626a_100000737246_100000212026 [0,2,0,0,0,0|2,0,0]=4 18898 B17R1.13883 Cc1ccccc1C(=O)NCCCOC(C)C 240690a_100000737246_100000212026 [0,2,0,0,0,0|2,0,0]=4 18899 B17R1.13883 Cc1ccccc1C(=O)NCCCOC(C)C 527a_100000737246_100000212026 [0,2,0,0,0,0|2,0,0]=4 18900 B17R1.13883 Cc1ccccc1C(C)OCCCCC(C)C 34a_100000742021_100011216152 [0,2,0,0,0,0|1,0,1]=4 18901 B17R1.13883 Cc1ccccc1C(C)OCCCCC(C)C 7a_100000742021_100011216152 [0,2,0,0,0,0|1,0,1]=4 18902 B17R1.16645 CC(C)(C)CCNCCC(=O)c1ccccc1 2230a_100000738805_100000750707 [0,2,0,0,0,0|2,0,0]=4 18903 B17R1.16645 CC(C)(C)CCOCCC(=O)c1ccccc1 7a_100000765024_100000750707 [0,2,0,0,0,0|2,0,0]=4 18904 B17R1.16645 CC(C)(C)CCOCOC(=O)c1ccccc1 7a_100000765024_100000073877 [0,2,0,0,0,0|1,0,0]=3 18905 B17R1.16645 CC(C)(C)CCSCCC(=O)c1ccccc1 62a_100000750707_100000755188 [0,2,0,0,0,0|2,0,0]=4 18906 B17R1.16645 CC(C)(C)CCSCCC(=O)c1ccccc1 62a_100000755188_100000750707 [0,2,0,0,0,0|2,0,0]=4 18907 B17R1.16645 CC(C)(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000755188 [0,2,0,0,0,0|1,0,0]=3 18908 B17R1.16645 CC(C)(C)CCSCOC(=O)c1ccccc1 62a_100000755188_100000073877 [0,2,0,0,0,0|1,0,0]=3 18909 B17R1.16645 CC(C)(C)CNCCCC(=O)c1ccccc1 2230a_100000743828_100000211006 [0,2,0,0,0,0|2,0,0]=4 18910 B17R1.16645 CC(C)(C)CNCCNC(=O)c1ccccc1 270004a_100000736134_100011204126 [0,2,0,0,0,0|2,0,0]=4 18911 B17R1.16645 CC(C)(C)COCCNC(=O)c1ccccc1 34a_200000158897_100011219605 [0,2,0,0,0,0|2,0,0]=4 18912 B17R1.16645 CC(C)(C)CSCCCC(=O)c1ccccc1 62a_100000211006_100011219605 [0,2,0,0,0,0|2,0,0]=4 18913 B17R1.16645 CC(C)(C)CSCCCC(=O)c1ccccc1 62a_100011219605_100000211006 [0,2,0,0,0,0|2,0,0]=4 18914 B17R1.16645 CC(C)(C)CSCCNC(=O)c1ccccc1 62a_100011219605_200011215302 [0,2,0,0,0,0|2,0,0]=4 18915 B17R1.16645 CC(C)(C)CSCCNC(=O)c1ccccc1 62a_200011215302_100011219605 [0,2,0,0,0,0|2,0,0]=4 18916 B17R1.16645 CC(C)(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100011219605 [0,2,0,0,0,0|1,0,0]=3 18917 B17R1.16645 CC(C)(C)CSCCOC(=O)c1ccccc1 62a_100011219605_100009812718 [0,2,0,0,0,0|1,0,0]=3 18918 B17R1.16645 CC(C)(C)OCCCNC(=O)c1ccccc1 1626a_100011250582_100000185807 [0,2,0,0,0,0|2,0,0]=4 18919 B17R1.16645 CC(C)(C)OCCCNC(=O)c1ccccc1 240690a_100011250582_100000185807 [0,2,0,0,0,0|2,0,0]=4 18920 B17R1.16645 CC(C)(C)OCCCNC(=O)c1ccccc1 527a_100011250582_100000185807 [0,2,0,0,0,0|2,0,0]=4 18921 B17R1.16645 CC(C)(C)OCCCOC(=O)c1ccccc1 34a_100015890283_200009892979 [0,2,0,0,0,0|1,0,0]=3 18922 B17R1.16645 CC(C)(C)OCCCOC(=O)c1ccccc1 7a_100015890283_200009892979 [0,2,0,0,0,0|1,0,0]=3 18923 B17R1.16645 CC(C)(C)SCCCOC(=O)c1ccccc1 62a_100000211941_200009892979 [0,2,0,0,0,0|1,0,0]=3 18924 B17R1.16645 CC(C)(C)SCCCOC(=O)c1ccccc1 62a_200009892979_100000211941 [0,2,0,0,0,0|1,0,0]=3 18925 B17R1.16645 CC(C)(F)CCNCCC(=O)c1ccccc1 2230a_100016253952_100000750707 [0,2,0,0,0,0|2,0,0]=4 18926 B17R1.16645 CC(C)(F)CNCCCC(=O)c1ccccc1 2230a_100020643315_100000211006 [0,2,0,0,0,0|2,0,0]=4 18927 B17R1.16645 CC(C)(F)COCCNC(=O)c1ccccc1 34a_200000158897_100011997219 [0,2,0,0,0,0|2,0,0]=4 18928 B17R1.16645 CC(C)(F)COCCOC(=O)c1ccccc1 34a_100000716592_100009812718 [0,2,0,0,0,0|1,0,0]=3 18929 B17R1.16645 CC(C)(F)CSCCCC(=O)c1ccccc1 62a_100000211006_100011997219 [0,2,0,0,0,0|2,0,0]=4 18930 B17R1.16645 CC(C)(F)CSCCCC(=O)c1ccccc1 62a_100011997219_100000211006 [0,2,0,0,0,0|2,0,0]=4 18931 B17R1.16645 CC(C)(F)CSCCNC(=O)c1ccccc1 62a_100011997219_200011215302 [0,2,0,0,0,0|2,0,0]=4 18932 B17R1.16645 CC(C)(F)CSCCNC(=O)c1ccccc1 62a_200011215302_100011997219 [0,2,0,0,0,0|2,0,0]=4 18933 B17R1.16645 CC(C)(F)CSCCOC(=O)c1ccccc1 62a_100009812718_100011997219 [0,2,0,0,0,0|1,0,0]=3 18934 B17R1.16645 CC(C)(F)CSCCOC(=O)c1ccccc1 62a_100011997219_100009812718 [0,2,0,0,0,0|1,0,0]=3 18935 B17R1.16645 CC(C)(O)CCCSCC(=O)c1ccccc1 62a_100000211460_100009888830 [0,2,0,0,0,0|2,0,0]=4 18936 B17R1.16645 CC(C)(O)CCCSCC(=O)c1ccccc1 62a_100009888830_100000211460 [0,2,0,0,0,0|2,0,0]=4 18937 B17R1.16645 CC(C)(O)CCSCCC(=O)c1ccccc1 62a_100000702414_100000750707 [0,2,0,0,0,0|2,0,0]=4 18938 B17R1.16645 CC(C)(O)CCSCCC(=O)c1ccccc1 62a_100000750707_100000702414 [0,2,0,0,0,0|2,0,0]=4 18939 B17R1.16645 CC(C)(O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000702414 [0,2,0,0,0,0|1,0,0]=3 18940 B17R1.16645 CC(C)(O)CCSCOC(=O)c1ccccc1 62a_100000702414_100000073877 [0,2,0,0,0,0|1,0,0]=3 18941 B17R1.16645 CC(C)(O)CNCCCC(=O)c1ccccc1 2230a_100000751335_100000211006 [0,2,0,0,0,0|2,0,0]=4 18942 B17R1.16645 CC(C)(O)COCCNC(=O)c1ccccc1 34a_200000158897_100000764493 [0,2,0,0,0,0|2,0,0]=4 18943 B17R1.16645 CC(C)(O)COCCNC(=O)c1ccccc1 7a_200000158897_100000764493 [0,2,0,0,0,0|2,0,0]=4 18944 B17R1.16645 CC(C)(O)COCCOC(=O)c1ccccc1 7a_100000025465_100000764493 [0,2,0,0,0,0|1,0,0]=3 18945 B17R1.16645 CC(C)(O)CSCCCC(=O)c1ccccc1 62a_100000211006_100000764493 [0,2,0,0,0,0|2,0,0]=4 18946 B17R1.16645 CC(C)(O)CSCCCC(=O)c1ccccc1 62a_100000764493_100000211006 [0,2,0,0,0,0|2,0,0]=4 18947 B17R1.16645 CC(C)(O)CSCCNC(=O)c1ccccc1 62a_100000764493_200011215302 [0,2,0,0,0,0|2,0,0]=4 18948 B17R1.16645 CC(C)(O)CSCCNC(=O)c1ccccc1 62a_200011215302_100000764493 [0,2,0,0,0,0|2,0,0]=4 18949 B17R1.16645 CC(C)(O)CSCCOC(=O)c1ccccc1 62a_100000764493_100009812718 [0,2,0,0,0,0|1,0,0]=3 18950 B17R1.16645 CC(C)(O)CSCCOC(=O)c1ccccc1 62a_100009812718_100000764493 [0,2,0,0,0,0|1,0,0]=3 18951 B17R1.16645 CC(F)(F)COCCOC(=O)c1ccccc1 34a_100000068830_100009812718 [0,2,0,0,0,0|1,0,0]=3 18952 B17R1.16645 CS(=O)(=O)CCOCOC(=O)c1ccccc1 7a_100000211924_100000073877 [0,2,0,0,0,0|2,0,0]=4 18953 B17R1.16645 CS(=O)(=O)CCSCOC(=O)c1ccccc1 62a_100000073877_100000230027 [0,2,0,0,0,0|2,0,0]=4 18954 B17R1.16645 CS(=O)(=O)CCSCOC(=O)c1ccccc1 62a_100000731031_100000073877 [0,2,0,0,0,0|2,0,0]=4 18955 B17R1.16645 C[N+](C)(C)CCCCCC(=O)c1ccccc1 1458a_100000185807_100009813293 [0,2,0,0,0,0|2,0,0]=4 18956 B17R1.16645 C[N+](C)(C)CCOCOC(=O)c1ccccc1 7a_200020618287_100000073877 [0,2,0,0,0,0|2,0,0]=4 18957 B17R1.16645 C[N+](C)(C)CCSCOC(=O)c1ccccc1 62a_100000073877_100000085578 [0,2,0,0,0,0|2,0,0]=4 18958 B17R1.16645 C[N+](C)(C)CCSCOC(=O)c1ccccc1 62a_100000085578_100000073877 [0,2,0,0,0,0|2,0,0]=4 18959 B17R1.16645 C[N+](C)(C)CSCCOC(=O)c1ccccc1 62a_100009812718_200000036245 [0,2,0,0,0,0|2,0,0]=4 18960 B17R1.16645 C[N+](C)(C)CSCCOC(=O)c1ccccc1 62a_200000036245_100009812718 [0,2,0,0,0,0|2,0,0]=4 18961 B17R1.16645 C[Si](C)(C)CCOCOC(=O)c1ccccc1 7a_100000039746_100000073877 [0,2,0,0,0,0|1,1,0]=4 18962 B17R1.16645 C[Si](C)(C)CCSCOC(=O)c1ccccc1 62a_100000073877_200000733723 [0,2,0,0,0,0|1,1,0]=4 18963 B17R1.16645 C[Si](C)(C)CCSCOC(=O)c1ccccc1 62a_200000733723_100000073877 [0,2,0,0,0,0|1,1,0]=4 18964 B17R1.16645 C[Si](C)(C)COCCOC(=O)c1ccccc1 7a_100000025465_100000233785 [0,2,0,0,0,0|1,1,0]=4 18965 B17R1.16645 C[Si](C)(C)CSCCOC(=O)c1ccccc1 62a_100000037933_100009812718 [0,2,0,0,0,0|1,1,0]=4 18966 B17R1.16645 C[Si](C)(C)CSCCOC(=O)c1ccccc1 62a_100009812718_100000037933 [0,2,0,0,0,0|1,1,0]=4 18967 B17R1.16645 O=C(CCCCCC(F)(F)F)c1ccccc1 1458a_100000185807_100010187589 [0,2,0,0,0,0|2,0,0]=4 18968 B17R1.16645 O=C(OCCCSC(F)(F)F)c1ccccc1 62a_200000243211_200009892979 [0,2,0,0,0,0|2,0,0]=4 18969 B17R1.16645 O=C(OCCCSC(F)(F)F)c1ccccc1 62a_200009892979_200103152311 [0,2,0,0,0,0|2,0,0]=4 18970 B17R1.16645 O=C(OCCNCC(F)(F)F)c1ccccc1 34a_100000717047_100009812718 [0,2,0,0,0,0|2,0,0]=4 18971 B17R1.16645 O=C(OCCOCC(F)(F)Br)c1ccccc1 34a_100011217949_100009812718 [0,2,0,0,0,0|2,0,0]=4 18972 B17R1.16645 O=C(OCCOCC(F)(F)Cl)c1ccccc1 34a_100000734434_100009812718 [0,2,0,0,0,0|2,0,0]=4 18973 B17R1.16645 O=C(OCCOCC(F)(F)F)c1ccccc1 34a_100000210435_100009812718 [0,2,0,0,0,0|2,0,0]=4 18974 B17R1.16645 O=C(OCCSCC(F)(F)F)c1ccccc1 62a_100000763148_100009812718 [0,2,0,0,0,0|2,0,0]=4 18975 B17R1.16645 O=C(OCCSCC(F)(F)F)c1ccccc1 62a_100009812718_100000763148 [0,2,0,0,0,0|2,0,0]=4 18976 B17R1.16645 O=C(OCSCCC(F)(F)F)c1ccccc1 62a_100000073877_100011219754 [0,2,0,0,0,0|2,0,0]=4 18977 B17R1.16645 O=C(OCSCCC(F)(F)F)c1ccccc1 62a_100011219754_100000073877 [0,2,0,0,0,0|2,0,0]=4 18978 B17R1.5194 C=CCC(OCCCCCC)c1ccccc1 34a_100000687291_100000210314 [0,2,0,0,0,0|1,0,1]=4 18979 B17R1.5194 C=CCC(OCCCCCC)c1ccccc1 7a_100000687291_100000210314 [0,2,0,0,0,0|1,0,1]=4 18980 B17R1.5194 CCCCCCOC(CCC)c1ccccc1 34a_100000747916_100000210314 [0,2,0,0,0,0|1,0,1]=4 18981 B17R1.5194 CCCCCCOC(CCC)c1ccccc1 7a_100000747916_100000210314 [0,2,0,0,0,0|1,0,1]=4 18982 B17R1.5194 CCCCCCOC(CCCl)c1ccccc1 7a_100000210259_200010132975 [0,2,0,0,0,0|1,0,1]=4 18983 B17R1.5194 CCCCCCOC(CCN)c1ccccc1 34a_100000763605_100000210314 [0,2,0,0,0,0|1,0,1]=4 18984 B17R1.5194 CCCCCCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210314 [0,2,0,0,0,0|1,0,1]=4 18985 B17R1.5194 CCCCCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210314 [0,2,0,0,0,0|1,0,1]=4 18986 B17R1.5194 CCCCCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210314 [0,2,0,0,0,0|1,0,1]=4 18987 B17R1.5198 C#CC(C)(OCCCCCC)c1ccccc1 34a_100000198054_100000210314 [0,2,0,0,0,0|1,0,1]=4 18988 B17R1.5198 C#CC(C)(OCCCCCC)c1ccccc1 7a_100000198054_100000210314 [0,2,0,0,0,0|1,0,1]=4 18989 B17R1.5198 CCCCCCOC(C)(CC)c1ccccc1 7a_100000748282_100000210314 [0,2,0,0,0,0|1,0,1]=4 18990 B17R1.5201 C=C(C)C(OCCCCCC)c1ccccc1 34a_200011216824_100000210314 [0,2,0,0,0,0|1,0,1]=4 18991 B17R1.5201 C=C(C)C(OCCCCCC)c1ccccc1 7a_200011216824_100000210314 [0,2,0,0,0,0|1,0,1]=4 18992 B17R1.5201 CC(=O)C(OCCCCCBr)c1ccccc1 7a_100000746331_100009888967 [0,2,0,0,0,0|1,0,1]=4 18993 B17R1.5201 CC(=O)C(OCCCCCCl)c1ccccc1 7a_100000746330_100009888967 [0,2,0,0,0,0|1,0,1]=4 18994 B17R1.5201 CC(=O)C(OCCCCCI)c1ccccc1 7a_200012148887_100009888967 [0,2,0,0,0,0|1,0,1]=4 18995 B17R1.5201 CCCCCCNC(C(=O)C)c1ccccc1 2230a_100000210581_100009888967 [0,2,0,0,0,0|1,0,1]=4 18996 B17R1.5201 CCCCCCNC(C(=O)N)c1ccccc1 2230a_100000210581_100000188848 [0,2,0,0,0,0|1,0,1]=4 18997 B17R1.5201 CCCCCCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000210757 [0,2,0,0,0,0|1,0,1]=4 18998 B17R1.5201 CCCCCCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210314 [0,2,0,0,0,0|1,0,1]=4 18999 B17R1.5201 CCCCCCOC(C(=O)C)c1ccccc1 7a_100000210259_100009888967 [0,2,0,0,0,0|0,0,1]=3 19000 B17R1.5201 CCCCCCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210314 [0,2,0,0,0,0|0,0,1]=3 19001 B17R1.5201 CCCCCCOC(C(=O)N)c1ccccc1 7a_100000210259_100000188848 [0,2,0,0,0,0|0,0,1]=3 19002 B17R1.5201 CCCCCCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210314 [0,2,0,0,0,0|0,0,1]=3 19003 B17R1.5201 CCCCCCOC(c1ccccc1)C(C)C 34a_200011217822_100000210314 [0,2,0,0,0,0|1,0,1]=4 19004 B17R1.5201 CCCCCCOC(c1ccccc1)C(C)C 7a_200011217822_100000210314 [0,2,0,0,0,0|1,0,1]=4 19005 B17R1.5201 CCCCCCSC(C(=O)C)c1ccccc1 62a_100000210314_100009888967 [0,2,0,0,0,0|0,1,1]=4 19006 B17R1.5201 CCCCCCSC(C(=O)C)c1ccccc1 62a_100009888967_100000210757 [0,2,0,0,0,0|0,1,1]=4 19007 B17R1.5201 CCCCCCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210757 [0,2,0,0,0,0|0,1,1]=4 19008 B17R1.5201 CCCCCCSC(C(=O)N)c1ccccc1 62a_100000210314_100000188848 [0,2,0,0,0,0|0,1,1]=4 19009 B17R1.5201 CCCCOCOC(C(=O)N)c1ccccc1 34a_100011200849_100011995733 [0,2,0,0,0,0|1,0,1]=4 19010 B17R1.5201 CCCOCCOC(C(=O)C)c1ccccc1 7a_100000752267_100009888967 [0,2,0,0,0,0|1,0,1]=4 19011 B17R1.5201 CCCOCCOC(C(=O)N)c1ccccc1 34a_100011200849_100011215938 [0,2,0,0,0,0|1,0,1]=4 19012 B17R1.5201 CCCOCCOC(C(=O)N)c1ccccc1 7a_100000752267_100000188848 [0,2,0,0,0,0|1,0,1]=4 19013 B17R1.5201 CCCOCCOC(C(=O)N)c1ccccc1 7a_100011200849_100011215938 [0,2,0,0,0,0|1,0,1]=4 19014 B17R1.5201 CCCSCCOC(C(=O)C)c1ccccc1 7a_200000230433_100009888967 [0,2,0,0,0,0|1,0,1]=4 19015 B17R1.5201 CCCSCCOC(C(=O)N)c1ccccc1 7a_200000230433_100000188848 [0,2,0,0,0,0|1,0,1]=4 19016 B17R1.5201 CCOCCCOC(C(=O)C)c1ccccc1 7a_100000757476_100009888967 [0,2,0,0,0,0|1,0,1]=4 19017 B17R1.5201 CCOCCCOC(C(=O)N)c1ccccc1 34a_100011200849_100012232248 [0,2,0,0,0,0|1,0,1]=4 19018 B17R1.5201 CCOCCCOC(C(=O)N)c1ccccc1 7a_100000757476_100000188848 [0,2,0,0,0,0|1,0,1]=4 19019 B17R1.5201 CCOCCCOC(C(=O)N)c1ccccc1 7a_100011200849_100012232248 [0,2,0,0,0,0|1,0,1]=4 19020 B17R1.5201 CCSCCCOC(C(=O)C)c1ccccc1 7a_100011216438_100009888967 [0,2,0,0,0,0|1,0,1]=4 19021 B17R1.5201 CCSCCCOC(C(=O)N)c1ccccc1 7a_100011216438_100000188848 [0,2,0,0,0,0|1,0,1]=4 19022 B17R1.5201 COCCCCOC(C(=O)N)c1ccccc1 34a_100011200849_100000755781 [0,2,0,0,0,0|1,0,1]=4 19023 B17R1.5201 COCCCCOC(C(=O)N)c1ccccc1 7a_100011200849_100000730899 [0,2,0,0,0,0|1,0,1]=4 19024 B17R1.5201 CSCCCCOC(C(=O)C)c1ccccc1 7a_100011217163_100009888967 [0,2,0,0,0,0|1,0,1]=4 19025 B17R1.5201 CSCCCCOC(C(=O)N)c1ccccc1 7a_100011217163_100000188848 [0,2,0,0,0,0|1,0,1]=4 19026 B17R1.5201 NC(=O)C(OCCCCCBr)c1ccccc1 7a_100000746331_100000188848 [0,2,0,0,0,0|1,0,1]=4 19027 B17R1.5201 NC(=O)C(OCCCCCCl)c1ccccc1 7a_100000746330_100000188848 [0,2,0,0,0,0|1,0,1]=4 19028 B17R1.5201 NC(=O)C(OCCCCCF)c1ccccc1 34a_100011200849_100000729378 [0,2,0,0,0,0|1,0,1]=4 19029 B17R1.5201 NC(=O)C(OCCCCCF)c1ccccc1 7a_100011200849_100000729378 [0,2,0,0,0,0|1,0,1]=4 19030 B17R1.5201 NC(=O)C(OCCCCCI)c1ccccc1 7a_200012148887_100000188848 [0,2,0,0,0,0|1,0,1]=4 19031 B17R1.5201 NC(=O)C(OCCCCCO)c1ccccc1 34a_100011200849_100000746330 [0,2,0,0,0,0|1,0,1]=4 19032 B17R1.5201 NC(=O)C(OCCCCCO)c1ccccc1 7a_100011200849_100000746330 [0,2,0,0,0,0|1,0,1]=4 19033 B17R1.16908 CCCCCCOC(C#N)c1ccccc1Cl 7a_200011294979_100000210314 [0,2,0,0,0,0|1,0,1]=4 19034 B17R1.16908 CCCCCCOC(CC)c1ccccc1F 34a_200011689290_100000210314 [0,2,0,0,0,0|1,0,1]=4 19035 B17R1.16908 CCCCCCOC(CC)c1ccccc1F 7a_200011689290_100000210314 [0,2,0,0,0,0|1,0,1]=4 19036 B17R1.16908 CCCCCCOC(CN)c1ccccc1Br 34a_100011236429_100000210314 [0,2,0,0,0,0|1,0,1]=4 19037 B17R1.16908 CCCCCCOC(CN)c1ccccc1Cl 34a_200000759403_100000210314 [0,2,0,0,0,0|1,0,1]=4 19038 B17R1.971 CC(CCO)N(C)COC(=O)c1ccccc1 269982a_100000731037_100000073877 [0,2,0,0,0,0|2,0,0]=4 19039 B17R1.971 CC(COC(=O)c1ccccc1)N(C)CCO 270004a_100000210263_100000000904 [0,2,0,0,0,0|2,0,0]=4 19040 B17R1.971 CCCC(=O)[C@H](C)CSC(=O)c1ccccc1 1458a_100016998329_100000210303 [0,2,0,0,0,0|0,1,1]=4 19041 B17R1.971 CCCC(C)C(=O)CCC(=O)c1ccccc1 1458a_100000210906_100000750707 [0,2,0,0,0,0|1,0,1]=4 19042 B17R1.971 CCCC(C)C(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000766640 [0,2,0,0,0,0|1,0,1]=4 19043 B17R1.971 CCCC(C)C(=O)COC(=O)c1ccccc1 1458a_100000210906_100000073877 [0,2,0,0,0,0|0,0,1]=3 19044 B17R1.971 CCCC(C)C(C)OCC(=O)c1ccccc1 7a_100000708338_100000211460 [0,2,0,0,0,0|2,0,0]=4 19045 B17R1.971 CCCN(C)C(C)COC(=O)c1ccccc1 270004a_100000747261_100000000904 [0,2,0,0,0,0|1,0,0]=3 19046 B17R1.971 CCC[C@H](O)C(=O)CCC(=O)c1ccccc1 1458a_100009822183_100000750707 [0,2,0,0,0,0|1,0,1]=4 19047 B17R1.971 CCC[C@H](O)C(=O)COC(=O)c1ccccc1 1458a_100009822183_100000073877 [0,2,0,0,0,0|0,0,1]=3 19048 B17R1.971 CCOC(C)C(=O)COC(=O)c1ccccc1 1458a_100000739345_100000073877 [0,2,0,0,0,0|1,0,1]=4 19049 B17R1.971 CCSC(C)C(=O)COC(=O)c1ccccc1 1458a_100000230601_100000073877 [0,2,0,0,0,0|1,0,1]=4 19050 B17R1.971 COCC(C)C(=O)COC(=O)c1ccccc1 1458a_100000751857_100000073877 [0,2,0,0,0,0|1,0,1]=4 19051 B17R1.971 CSCC(C)C(=O)COC(=O)c1ccccc1 1458a_100000753918_100000073877 [0,2,0,0,0,0|1,0,1]=4 19052 B17R1.1231 CC(COC(=O)c1ccccc1)N[C@H](C)CF 270004a_100102880703_100000000904 [0,2,0,0,0,0|2,0,0]=4 19053 B17R1.1231 CC(COC(=O)c1ccccc1)N[C@H](C)CO 270004a_100000737577_100000000904 [0,2,0,0,0,0|2,0,0]=4 19054 B17R1.1231 CCC(C)CC(=O)CCC(=O)c1ccccc1 1458a_100000708755_100000750707 [0,2,0,0,0,0|1,0,1]=4 19055 B17R1.1231 CCC(C)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000748023 [0,2,0,0,0,0|1,0,1]=4 19056 B17R1.1231 CCC(C)CC(=O)COC(=O)c1ccccc1 1458a_100000708755_100000073877 [0,2,0,0,0,0|0,0,1]=3 19057 B17R1.1231 CCC(C)CN(C)CCC(=O)c1ccccc1 2230a_100000753921_100000750707 [0,2,0,0,0,0|2,0,0]=4 19058 B17R1.1231 CCC(C)CN(C)CCC(=O)c1ccccc1 269982a_100000753921_100000750707 [0,2,0,0,0,0|2,0,0]=4 19059 B17R1.1231 CCC(C)CN(C)COC(=O)c1ccccc1 269982a_100000753921_100000073877 [0,2,0,0,0,0|1,0,0]=3 19060 B17R1.1231 CCC(C)NC(C)COC(=O)c1ccccc1 270004a_100000209981_100000000904 [0,2,0,0,0,0|1,0,0]=3 19061 B17R1.1231 CCC(C)OC(C)CCC(=O)c1ccccc1 7a_200012571355_100000758301 [0,2,0,0,0,0|2,0,0]=4 19062 B17R1.1231 CCC(O)CC(=O)CCC(=O)c1ccccc1 1458a_100011667805_100000750707 [0,2,0,0,0,0|1,0,1]=4 19063 B17R1.1231 CCC(O)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011218378 [0,2,0,0,0,0|1,0,1]=4 19064 B17R1.1231 CCC(O)CC(=O)COC(=O)c1ccccc1 1458a_100011667805_100000073877 [0,2,0,0,0,0|0,0,1]=3 19065 B17R1.1231 CCN(C)CC(=O)COC(=O)c1ccccc1 1458a_100116209913_100000073877 [0,2,0,0,0,0|1,0,1]=4 19066 B17R1.1231 CCN(C)CC(C)CNC(=O)c1ccccc1 1626a_100011281616_100000185807 [0,2,0,0,0,0|2,0,0]=4 19067 B17R1.1231 CCN(C)CC(C)CNC(=O)c1ccccc1 240690a_100011281616_100000185807 [0,2,0,0,0,0|2,0,0]=4 19068 B17R1.1231 CCN(C)CC(C)CNC(=O)c1ccccc1 527a_100011281616_100000185807 [0,2,0,0,0,0|2,0,0]=4 19069 B17R1.1231 CC[C@H](C)CC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100009816398 [0,2,0,0,0,0|1,0,1]=4 19070 B17R1.1231 CN(COC(=O)c1ccccc1)CC(O)CO 269982a_100011216503_100000073877 [0,2,0,0,0,0|2,0,0]=4 19071 B17R1.1541 CCCCC(=O)CN(C)C(=O)c1ccccc1 1458a_100000194983_100000210211 [0,2,0,0,0,0|1,0,1]=4 19072 B17R1.1541 CCCCC(C)NC(C)C(=O)c1ccccc1 2230a_100000126638_100000239700 [0,2,0,0,0,0|2,0,0]=4 19073 B17R1.1541 CCCCC(C)OC(C)C(=O)c1ccccc1 7a_100000687866_100000239700 [0,2,0,0,0,0|2,0,0]=4 19074 B17R1.1541 CCCCC(C)SC(C)C(=O)c1ccccc1 62a_100000239700_200011215066 [0,2,0,0,0,0|2,0,0]=4 19075 B17R1.1541 CCCCC(C)SC(C)C(=O)c1ccccc1 62a_200011215066_100000239700 [0,2,0,0,0,0|2,0,0]=4 19076 B17R1.4951 C#CC(CCCC)OCC(=O)c1ccccc1 7a_200011217967_100000211460 [0,2,0,0,0,0|2,0,0]=4 19077 B17R1.4951 C=CC(CCCC)OCC(=O)c1ccccc1 7a_200011215037_100000211460 [0,2,0,0,0,0|2,0,0]=4 19078 B17R1.4951 CCCCC(CC)CNC(=O)c1ccccc1 11a_100000209976_100000185807 [0,2,0,0,0,0|1,0,0]=3 19079 B17R1.4951 CCCCC(CC)CNC(=O)c1ccccc1 1626a_100000209976_100000185807 [0,2,0,0,0,0|1,0,0]=3 19080 B17R1.4951 CCCCC(CC)CNC(=O)c1ccccc1 240690a_100000209976_100000185807 [0,2,0,0,0,0|1,0,0]=3 19081 B17R1.4951 CCCCC(CC)CNC(=O)c1ccccc1 527a_100000209976_100000185807 [0,2,0,0,0,0|1,0,0]=3 19082 B17R1.4951 CCCCC(CC)COC(C)c1ccccc1 34a_100000210273_100000211855 [0,2,0,0,0,0|1,0,1]=4 19083 B17R1.4951 CCCCC(CC)COC(C)c1ccccc1 7a_100000210273_100000230085 [0,2,0,0,0,0|1,0,1]=4 19084 B17R1.4951 CCCCC(CC)CO[C@H](C)c1ccccc1 34a_100000761318_100000211942 [0,2,0,0,0,0|1,0,1]=4 19085 B17R1.4951 CCCCC(CC)CO[C@H](C)c1ccccc1 7a_100000761318_100000211942 [0,2,0,0,0,0|1,0,1]=4 19086 B17R1.4951 CCCCC(CC)OCC(=O)c1ccccc1 7a_100011215227_100000211460 [0,2,0,0,0,0|2,0,0]=4 19087 B17R1.4951 CCCCC(CC)SCC(=O)c1ccccc1 62a_100000211460_200011216223 [0,2,0,0,0,0|2,0,0]=4 19088 B17R1.4951 CCCCC(CC)SCC(=O)c1ccccc1 62a_200011216223_100000211460 [0,2,0,0,0,0|2,0,0]=4 19089 B17R1.4951 CCCCN(CC)CCC(=O)c1ccccc1 2230a_100000207695_100000750707 [0,2,0,0,0,0|2,0,0]=4 19090 B17R1.4951 CCCCN(CC)CCC(=O)c1ccccc1 269982a_100000207695_100000750707 [0,2,0,0,0,0|2,0,0]=4 19091 B17R1.4951 CCCCN(CC)COC(=O)c1ccccc1 269982a_100000207695_100000073877 [0,2,0,0,0,0|1,0,0]=3 19092 B17R1.4951 CCN(CCOC)COC(=O)c1ccccc1 269982a_100000731262_100000073877 [0,2,0,0,0,0|2,0,0]=4 19093 B17R1.9307 CCCCC(C)COC(F)(F)c1ccccc1 7a_100011995851_100000036403 [0,2,0,0,0,0|1,0,1]=4 19094 B17R1.9325 CCCCC(C)(C)COC(C)c1ccccc1 7a_200011995781_100000230085 [0,2,0,0,0,0|1,0,1]=4 19095 B17R1.9325 CCCCC(C)(C)OCC(=O)c1ccccc1 7a_100011219641_100000211460 [0,2,0,0,0,0|2,0,0]=4 19096 B17R1.18156 CC(COC(=O)c1ccccc1Br)NCCO 270004a_100000210304_201991511838 [0,2,0,0,0,0|2,0,0]=4 19097 B17R1.18156 CCCCC(=O)CCC(=O)c1ccccc1F 1458a_100000210183_100000086012 [0,2,0,0,0,0|1,0,1]=4 19098 B17R1.18156 CCCCC(=O)CNC(=O)c1ccccc1C 1458a_100000184812_100000210211 [0,2,0,0,0,0|1,0,1]=4 19099 B17R1.18156 CCCCC(=O)CNC(=O)c1ccccc1Cl 1458a_100000182550_100000210211 [0,2,0,0,0,0|1,0,1]=4 19100 B17R1.18156 CCCCC(=O)CNC(=O)c1ccccc1F 1458a_100000182453_100000210211 [0,2,0,0,0,0|1,0,1]=4 19101 B17R1.18156 CCCCC(=O)CNC(=O)c1ccccc1I 1458a_100000194700_100000210211 [0,2,0,0,0,0|1,0,1]=4 19102 B17R1.18156 CCCCC(=O)CNC(=O)c1ccccc1O 1458a_100011193979_100000210211 [0,2,0,0,0,0|1,0,1]=4 19103 B17R1.18156 CCCCC(C)COC(C)c1ccccc1Cl 7a_100011995851_100000181259 [0,2,0,0,0,0|1,0,1]=4 19104 B17R1.18156 CCCCC(C)COC(C)c1ccccc1F 34a_100011995851_200000741388 [0,2,0,0,0,0|1,0,1]=4 19105 B17R1.18156 CCCCC(C)COC(C)c1ccccc1F 7a_100011995851_200000741388 [0,2,0,0,0,0|1,0,1]=4 19106 B17R1.18156 CCCCC(C)NCC(=O)c1ccccc1C 2230a_100000126638_100000741374 [0,2,0,0,0,0|2,0,0]=4 19107 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1Br 34a_100000687866_100000199116 [0,2,0,0,0,0|2,0,0]=4 19108 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1C 34a_100000687866_100000741374 [0,2,0,0,0,0|2,0,0]=4 19109 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1C 7a_100000687866_100000741374 [0,2,0,0,0,0|2,0,0]=4 19110 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1Cl 34a_100000687866_100000211432 [0,2,0,0,0,0|2,0,0]=4 19111 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1F 34a_100000687866_100000204681 [0,2,0,0,0,0|2,0,0]=4 19112 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1F 7a_100000687866_100000204681 [0,2,0,0,0,0|2,0,0]=4 19113 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1O 7a_100000687866_100000188908 [0,2,0,0,0,0|2,0,0]=4 19114 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1Br 62a_100000199116_200011215066 [0,2,0,0,0,0|2,0,0]=4 19115 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1C 62a_100000741374_200011215066 [0,2,0,0,0,0|2,0,0]=4 19116 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1C 62a_200011215066_100000741374 [0,2,0,0,0,0|2,0,0]=4 19117 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1Cl 62a_100000211432_200011215066 [0,2,0,0,0,0|2,0,0]=4 19118 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1Cl 62a_200011215066_100000211432 [0,2,0,0,0,0|2,0,0]=4 19119 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1F 62a_100000204681_200011215066 [0,2,0,0,0,0|2,0,0]=4 19120 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1F 62a_200011215066_100000204681 [0,2,0,0,0,0|2,0,0]=4 19121 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1O 62a_100000188908_200011215066 [0,2,0,0,0,0|2,0,0]=4 19122 B17R1.18156 CCCCC(C)SCC(=O)c1ccccc1O 62a_200011215066_100000188908 [0,2,0,0,0,0|2,0,0]=4 19123 B17R1.18156 CCCCN(C)CCC(=O)c1ccccc1F 2230a_100000207549_100000086012 [0,2,0,0,0,0|2,0,0]=4 19124 B17R1.18156 CCCCN(C)CCC(=O)c1ccccc1F 269982a_100000207549_100000086012 [0,2,0,0,0,0|2,0,0]=4 19125 B17R1.18156 CCCCN(C)CCC(=O)c1ccccc1O 269982a_100000207549_100009873196 [0,2,0,0,0,0|2,0,0]=4 19126 B17R1.18156 CCCC[C@H](N)COC(C)c1ccccc1F 34a_100011934283_200000741388 [0,2,0,0,0,0|1,0,1]=4 19127 B17R1.18156 CCCNC(C)COC(=O)c1ccccc1Br 270004a_100020643023_201991511838 [0,2,0,0,0,0|1,0,0]=3 19128 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Br 11a_100015185124_100000188424 [0,2,0,0,0,0|2,0,0]=4 19129 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Br 1626a_100015185124_100000188424 [0,2,0,0,0,0|2,0,0]=4 19130 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Br 240690a_100015185124_100000188424 [0,2,0,0,0,0|2,0,0]=4 19131 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Br 527a_100015185124_100000188424 [0,2,0,0,0,0|2,0,0]=4 19132 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1C 11a_100015185124_100000212026 [0,2,0,0,0,0|2,0,0]=4 19133 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1C 1626a_100015185124_100000212026 [0,2,0,0,0,0|2,0,0]=4 19134 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1C 240690a_100015185124_100000212026 [0,2,0,0,0,0|2,0,0]=4 19135 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1C 527a_100015185124_100000212026 [0,2,0,0,0,0|2,0,0]=4 19136 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Cl 11a_100015185124_100000185844 [0,2,0,0,0,0|2,0,0]=4 19137 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Cl 1626a_100015185124_100000185844 [0,2,0,0,0,0|2,0,0]=4 19138 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Cl 240690a_100015185124_100000185844 [0,2,0,0,0,0|2,0,0]=4 19139 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1Cl 527a_100015185124_100000185844 [0,2,0,0,0,0|2,0,0]=4 19140 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1F 11a_100015185124_100000188656 [0,2,0,0,0,0|2,0,0]=4 19141 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1F 1626a_100015185124_100000188656 [0,2,0,0,0,0|2,0,0]=4 19142 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1F 240690a_100015185124_100000188656 [0,2,0,0,0,0|2,0,0]=4 19143 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1F 527a_100015185124_100000188656 [0,2,0,0,0,0|2,0,0]=4 19144 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1I 11a_100015185124_100000187884 [0,2,0,0,0,0|2,0,0]=4 19145 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1I 1626a_100015185124_100000187884 [0,2,0,0,0,0|2,0,0]=4 19146 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1I 240690a_100015185124_100000187884 [0,2,0,0,0,0|2,0,0]=4 19147 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1I 527a_100015185124_100000187884 [0,2,0,0,0,0|2,0,0]=4 19148 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1O 240690a_100015185124_100015234032 [0,2,0,0,0,0|2,0,0]=4 19149 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1[O-] 1626a_100015185124_100009911694 [0,2,0,0,0,0|2,0,0]=4 19150 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1[O-] 240690a_100015185124_100009911694 [0,2,0,0,0,0|2,0,0]=4 19151 B17R1.18156 CCCOC(C)CNC(=O)c1ccccc1[O-] 527a_100015185124_100009911694 [0,2,0,0,0,0|2,0,0]=4 19152 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1Br 240690a_102515437182_100000188424 [0,2,0,0,0,0|2,0,0]=4 19153 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1Br 527a_102515437182_100000188424 [0,2,0,0,0,0|2,0,0]=4 19154 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1C 240690a_102515437182_100000212026 [0,2,0,0,0,0|2,0,0]=4 19155 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1C 527a_102515437182_100000212026 [0,2,0,0,0,0|2,0,0]=4 19156 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1Cl 240690a_102515437182_100000185844 [0,2,0,0,0,0|2,0,0]=4 19157 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1Cl 527a_102515437182_100000185844 [0,2,0,0,0,0|2,0,0]=4 19158 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1F 240690a_102515437182_100000188656 [0,2,0,0,0,0|2,0,0]=4 19159 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1F 527a_102515437182_100000188656 [0,2,0,0,0,0|2,0,0]=4 19160 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1I 240690a_102515437182_100000187884 [0,2,0,0,0,0|2,0,0]=4 19161 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1I 527a_102515437182_100000187884 [0,2,0,0,0,0|2,0,0]=4 19162 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1O 240690a_102515437182_100015234032 [0,2,0,0,0,0|2,0,0]=4 19163 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1[O-] 240690a_102515437182_100009911694 [0,2,0,0,0,0|2,0,0]=4 19164 B17R1.18156 CCOCC(O)CNC(=O)c1ccccc1[O-] 527a_102515437182_100009911694 [0,2,0,0,0,0|2,0,0]=4 19165 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1Br 240690a_100160569302_100000188424 [0,2,0,0,0,0|2,0,0]=4 19166 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1Br 527a_100160569302_100000188424 [0,2,0,0,0,0|2,0,0]=4 19167 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1Cl 240690a_100160569302_100000185844 [0,2,0,0,0,0|2,0,0]=4 19168 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1Cl 527a_100160569302_100000185844 [0,2,0,0,0,0|2,0,0]=4 19169 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1F 240690a_100160569302_100000188656 [0,2,0,0,0,0|2,0,0]=4 19170 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1F 527a_100160569302_100000188656 [0,2,0,0,0,0|2,0,0]=4 19171 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1I 240690a_100160569302_100000187884 [0,2,0,0,0,0|2,0,0]=4 19172 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1I 527a_100160569302_100000187884 [0,2,0,0,0,0|2,0,0]=4 19173 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1O 240690a_100160569302_100015234032 [0,2,0,0,0,0|2,0,0]=4 19174 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1[O-] 240690a_100160569302_100009911694 [0,2,0,0,0,0|2,0,0]=4 19175 B17R1.18156 C[C@H](CCCO)CNC(=O)c1ccccc1[O-] 527a_100160569302_100009911694 [0,2,0,0,0,0|2,0,0]=4 19176 B17R1.18156 Cc1ccccc1C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000212026 [0,2,0,0,0,0|2,0,0]=4 19177 B17R1.18156 Cc1ccccc1C(=O)NC[C@H](C)CCCO 527a_100160569302_100000212026 [0,2,0,0,0,0|2,0,0]=4 19178 B17R1.1235 CCC(C)CCNC(C)C(=O)c1ccccc1 2230a_100020591266_100000239700 [0,2,0,0,0,0|2,0,0]=4 19179 B17R1.1235 CCC(C)CCOC(C)C(=O)c1ccccc1 7a_100011215188_100000239700 [0,2,0,0,0,0|2,0,0]=4 19180 B17R1.1637 CCCC(C)COC(C)C(=O)c1ccccc1 7a_100000688023_100000239700 [0,2,0,0,0,0|2,0,0]=4 19181 B17R1.1637 CCCC(C)CSC(C)C(=O)c1ccccc1 62a_100000239700_100011216630 [0,2,0,0,0,0|2,0,0]=4 19182 B17R1.1637 CCCC(C)CSC(C)C(=O)c1ccccc1 62a_100011216630_100000239700 [0,2,0,0,0,0|2,0,0]=4 19183 B17R1.1637 CCCN(C)CCN(C)C(=O)c1ccccc1 2230a_200011982063_100000210303 [0,2,0,0,0,0|2,0,0]=4 19184 B17R1.1637 CCCN(C)CCN(C)C(=O)c1ccccc1 269982a_200011982063_100000210303 [0,2,0,0,0,0|2,0,0]=4 19185 B17R1.10610 CCCCCCN(C)S(=O)(=O)c1ccccc1 270084a_106256046315_100000210345 [0,2,0,0,0,0|2,0,0]=4 19186 B17R1.10610 CCCCCCN(C)S(=O)(=O)c1ccccc1 274078a_106256046315_100000210345 [0,2,0,0,0,0|2,0,0]=4 19187 B17R1.10610 CCCCCCN(C)S(=O)(=O)c1ccccc1 40a_106256046315_100000032697 [0,2,0,0,0,0|2,0,0]=4 19188 B17R1.10869 CCCCCNC(C)(C)C(=O)c1ccccc1 2230a_100000209983_200009813919 [0,2,0,0,0,0|2,0,0]=4 19189 B17R1.10869 CCCCCOC(C)(C)C(=O)c1ccccc1 34a_100011217161_100000718602 [0,2,0,0,0,0|2,0,0]=4 19190 B17R1.10869 CCCCCOC(C)(C)C(=O)c1ccccc1 7a_100000210253_200009813919 [0,2,0,0,0,0|2,0,0]=4 19191 B17R1.10869 CCCCCOC(C)(C)C(=O)c1ccccc1 7a_100011217161_100000210326 [0,2,0,0,0,0|2,0,0]=4 19192 B17R1.10869 CCCCCSC(C)(C)C(=O)c1ccccc1 62a_100000210326_200009813919 [0,2,0,0,0,0|2,0,0]=4 19193 B17R1.10869 CCCCCSC(C)(C)C(=O)c1ccccc1 62a_200009813919_100000210326 [0,2,0,0,0,0|2,0,0]=4 19194 B17R1.10869 CCCCCSC(F)(F)C(=O)c1ccccc1 62a_100000210326_100011214938 [0,2,0,0,0,0|2,0,0]=4 19195 B17R1.10869 CCCCCSC(F)(F)C(=O)c1ccccc1 62a_100011214938_100000210326 [0,2,0,0,0,0|2,0,0]=4 19196 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100011215978 [0,2,0,0,0,0|1,0,0]=3 19197 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1C 1458a_100000212026_100011215978 [0,2,0,0,0,0|1,0,0]=3 19198 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100011215978 [0,2,0,0,0,0|1,0,0]=3 19199 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1F 1458a_100000188656_100011215978 [0,2,0,0,0,0|1,0,0]=3 19200 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1I 1458a_100000187884_100011215978 [0,2,0,0,0,0|1,0,0]=3 19201 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1O 1458a_100015234032_100011215978 [0,2,0,0,0,0|1,0,0]=3 19202 B17R1.18291 CCCCCCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100011215978 [0,2,0,0,0,0|1,0,0]=3 19203 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Br 11a_106256046315_100000188424 [0,2,0,0,0,0|1,0,0]=3 19204 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Br 1626a_106256046315_100000188424 [0,2,0,0,0,0|1,0,0]=3 19205 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Br 240690a_106256046315_100000188424 [0,2,0,0,0,0|1,0,0]=3 19206 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Br 527a_106256046315_100000188424 [0,2,0,0,0,0|1,0,0]=3 19207 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1C 11a_106256046315_100000212026 [0,2,0,0,0,0|1,0,0]=3 19208 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1C 1626a_106256046315_100000212026 [0,2,0,0,0,0|1,0,0]=3 19209 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1C 240690a_106256046315_100000212026 [0,2,0,0,0,0|1,0,0]=3 19210 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1C 527a_106256046315_100000212026 [0,2,0,0,0,0|1,0,0]=3 19211 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Cl 11a_106256046315_100000185844 [0,2,0,0,0,0|1,0,0]=3 19212 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Cl 1626a_106256046315_100000185844 [0,2,0,0,0,0|1,0,0]=3 19213 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Cl 240690a_106256046315_100000185844 [0,2,0,0,0,0|1,0,0]=3 19214 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1Cl 527a_106256046315_100000185844 [0,2,0,0,0,0|1,0,0]=3 19215 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1F 11a_106256046315_100000188656 [0,2,0,0,0,0|1,0,0]=3 19216 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1F 1626a_106256046315_100000188656 [0,2,0,0,0,0|1,0,0]=3 19217 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1F 240690a_106256046315_100000188656 [0,2,0,0,0,0|1,0,0]=3 19218 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1F 527a_106256046315_100000188656 [0,2,0,0,0,0|1,0,0]=3 19219 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1I 11a_106256046315_100000187884 [0,2,0,0,0,0|1,0,0]=3 19220 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1I 1626a_106256046315_100000187884 [0,2,0,0,0,0|1,0,0]=3 19221 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1I 240690a_106256046315_100000187884 [0,2,0,0,0,0|1,0,0]=3 19222 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1I 527a_106256046315_100000187884 [0,2,0,0,0,0|1,0,0]=3 19223 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1O 240690a_106256046315_100015234032 [0,2,0,0,0,0|1,0,0]=3 19224 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1[O-] 1626a_106256046315_100009911694 [0,2,0,0,0,0|1,0,0]=3 19225 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1[O-] 240690a_106256046315_100009911694 [0,2,0,0,0,0|1,0,0]=3 19226 B17R1.18291 CCCCCCN(C)C(=O)c1ccccc1[O-] 527a_106256046315_100009911694 [0,2,0,0,0,0|1,0,0]=3 19227 B17R1.18291 CCCCCNC(C)C(=O)c1ccccc1Cl 2230a_100000209983_100010255250 [0,2,0,0,0,0|2,0,0]=4 19228 B17R1.18291 CCCCCOC(C)C(=O)c1ccccc1Cl 7a_100000210253_100010255250 [0,2,0,0,0,0|2,0,0]=4 19229 B17R1.18291 CCCCCSC(C)C(=O)c1ccccc1Cl 62a_100000210326_100010255250 [0,2,0,0,0,0|2,0,0]=4 19230 B17R1.18291 CCCCCSC(C)C(=O)c1ccccc1Cl 62a_100010255250_100000210326 [0,2,0,0,0,0|2,0,0]=4 19231 B17R1.18291 CN(CCCCCO)C(=O)c1ccccc1Br 240690a_100000722520_100000188424 [0,2,0,0,0,0|2,0,0]=4 19232 B17R1.18291 CN(CCCCCO)C(=O)c1ccccc1Cl 240690a_100000722520_100000185844 [0,2,0,0,0,0|2,0,0]=4 19233 B17R1.18291 CN(CCCCCO)C(=O)c1ccccc1F 240690a_100000722520_100000188656 [0,2,0,0,0,0|2,0,0]=4 19234 B17R1.18291 CN(CCCCCO)C(=O)c1ccccc1I 240690a_100000722520_100000187884 [0,2,0,0,0,0|2,0,0]=4 19235 B17R1.18291 CN(CCCCCO)C(=O)c1ccccc1O 240690a_100000722520_100015234032 [0,2,0,0,0,0|2,0,0]=4 19236 B17R1.18291 CN(CCCCCO)C(=O)c1ccccc1[O-] 240690a_100000722520_100009911694 [0,2,0,0,0,0|2,0,0]=4 19237 B17R1.18291 Cc1ccccc1C(=O)N(C)CCCCCO 240690a_100000722520_100000212026 [0,2,0,0,0,0|2,0,0]=4 19238 B17R1.140 C#CC(CCC)OCCC(=O)c1ccccc1 7a_200011217317_100000750707 [0,2,0,0,0,0|2,0,0]=4 19239 B17R1.140 C#CC(CCC)OCOC(=O)c1ccccc1 7a_200011217317_100000073877 [0,2,0,0,0,0|1,0,0]=3 19240 B17R1.140 C=CC(CCC)OCCC(=O)c1ccccc1 7a_100011216692_100000750707 [0,2,0,0,0,0|2,0,0]=4 19241 B17R1.140 C=CC(CCC)OCOC(=O)c1ccccc1 7a_100011216692_100000073877 [0,2,0,0,0,0|1,0,0]=3 19242 B17R1.140 CCC(COC)OCOC(=O)c1ccccc1 7a_200011214946_100000073877 [0,2,0,0,0,0|2,0,0]=4 19243 B17R1.140 CCCC(C#N)OCCC(=O)c1ccccc1 7a_100000686963_100000750707 [0,2,0,0,0,0|2,0,0]=4 19244 B17R1.140 CCCC(C#N)OCOC(=O)c1ccccc1 7a_100000686963_100000073877 [0,2,0,0,0,0|1,0,0]=3 19245 B17R1.140 CCCC(CC)NCCC(=O)c1ccccc1 2230a_100000747048_100000750707 [0,2,0,0,0,0|2,0,0]=4 19246 B17R1.140 CCCC(CC)OCCC(=O)c1ccccc1 7a_100000687864_100000750707 [0,2,0,0,0,0|2,0,0]=4 19247 B17R1.140 CCCC(CC)OCOC(=O)c1ccccc1 7a_100000687864_100000073877 [0,2,0,0,0,0|1,0,0]=3 19248 B17R1.140 CCCC(CC)SCCC(=O)c1ccccc1 62a_100000750707_100011219200 [0,2,0,0,0,0|2,0,0]=4 19249 B17R1.140 CCCC(CC)SCCC(=O)c1ccccc1 62a_100011219200_100000750707 [0,2,0,0,0,0|2,0,0]=4 19250 B17R1.140 CCCC(CC)SCOC(=O)c1ccccc1 62a_100000073877_100011219200 [0,2,0,0,0,0|1,0,0]=3 19251 B17R1.140 CCCC(CC)SCOC(=O)c1ccccc1 62a_100011219200_100000073877 [0,2,0,0,0,0|1,0,0]=3 19252 B17R1.140 CCCC(CCOC(C)c1ccccc1)SC 34a_100000032865_100000211855 [0,2,0,0,0,0|1,0,1]=4 19253 B17R1.140 CCCC(CCOC(C)c1ccccc1)SC 7a_100000032865_100000230085 [0,2,0,0,0,0|1,0,1]=4 19254 B17R1.140 CCCN(CC)CCCC(=O)c1ccccc1 2230a_100000226822_100000211006 [0,2,0,0,0,0|2,0,0]=4 19255 B17R1.140 CCCN(CC)CCCC(=O)c1ccccc1 269982a_100000226822_100000211006 [0,2,0,0,0,0|2,0,0]=4 19256 B17R1.140 CCCN(CC)CCNC(=O)c1ccccc1 269982a_100000226822_200011215302 [0,2,0,0,0,0|2,0,0]=4 19257 B17R1.140 CCCN(CC)CCOC(=O)c1ccccc1 269982a_100000226822_100009812718 [0,2,0,0,0,0|1,0,0]=3 19258 B17R1.140 CCC[C@@H](CO)NCCC(=O)c1ccccc1 2230a_100000732646_100000750707 [0,2,0,0,0,0|2,0,0]=4 19259 B17R1.140 CCN(CCO)CCOC(=O)c1ccccc1 269982a_100000210973_100009812718 [0,2,0,0,0,0|2,0,0]=4 19260 B17R1.924 CCCC(=O)CCOS(=O)(=O)c1ccccc1 1458a_100000211992_200000070464 [0,2,0,0,0,0|1,0,1]=4 19261 B17R1.924 CCCC(C)CCOC(F)(F)c1ccccc1 7a_100011217855_100000036403 [0,2,0,0,0,0|1,0,1]=4 19262 B17R1.924 CCCN(C)CCOS(=O)(=O)c1ccccc1 269982a_100000747261_200000070464 [0,2,0,0,0,0|2,0,0]=4 19263 B17R1.1779 CC(CO)N(C)CCOC(=O)c1ccccc1 269982a_100000693034_100009812718 [0,2,0,0,0,0|2,0,0]=4 19264 B17R1.1779 CCC(=O)C(C)SCOC(=O)c1ccccc1 62a_100000073877_100000742827 [0,2,0,0,0,0|1,0,1]=4 19265 B17R1.1779 CCC(=O)C(C)SCOC(=O)c1ccccc1 62a_100000742827_100000073877 [0,2,0,0,0,0|1,0,1]=4 19266 B17R1.1779 CCC(C)C(=O)CCCC(=O)c1ccccc1 1458a_100011192722_100000211006 [0,2,0,0,0,0|1,0,1]=4 19267 B17R1.1779 CCC(C)C(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000758301 [0,2,0,0,0,0|1,0,1]=4 19268 B17R1.1779 CCC(C)C(=O)CCNC(=O)c1ccccc1 1458a_100011192722_200011215302 [0,2,0,0,0,0|1,0,1]=4 19269 B17R1.1779 CCC(C)C(=O)CCOC(=O)c1ccccc1 1458a_100011192722_100000184176 [0,2,0,0,0,0|0,0,1]=3 19270 B17R1.1779 CCC(C)C(C)OCCC(=O)c1ccccc1 7a_100011215189_100000750707 [0,2,0,0,0,0|2,0,0]=4 19271 B17R1.1779 CCC(C)C(C)OCOC(=O)c1ccccc1 7a_100011215189_100000073877 [0,2,0,0,0,0|1,0,0]=3 19272 B17R1.1779 CCC(C)N(C)CCCC(=O)c1ccccc1 2230a_100000741768_100000211006 [0,2,0,0,0,0|2,0,0]=4 19273 B17R1.1779 CCC(C)N(C)CCCC(=O)c1ccccc1 269982a_100000741768_100000211006 [0,2,0,0,0,0|2,0,0]=4 19274 B17R1.1779 CCC(C)N(C)CCNC(=O)c1ccccc1 269982a_100000741768_200011215302 [0,2,0,0,0,0|2,0,0]=4 19275 B17R1.1779 CCC(C)N(C)CCOC(=O)c1ccccc1 269982a_100000741768_100009812718 [0,2,0,0,0,0|1,0,0]=3 19276 B17R1.1779 CCC(O)C(=O)CCCC(=O)c1ccccc1 1458a_100011196387_100000211006 [0,2,0,0,0,0|1,0,1]=4 19277 B17R1.1779 CCC(O)C(=O)CCNC(=O)c1ccccc1 1458a_100011196387_200011215302 [0,2,0,0,0,0|1,0,1]=4 19278 B17R1.1779 CCC(O)C(=O)CCOC(=O)c1ccccc1 1458a_100011196387_100000184176 [0,2,0,0,0,0|0,0,1]=3 19279 B17R1.1779 CCN(C)C(C)CCNC(=O)c1ccccc1 1626a_100011369392_100000185807 [0,2,0,0,0,0|2,0,0]=4 19280 B17R1.1779 CCN(C)C(C)CCNC(=O)c1ccccc1 240690a_100011369392_100000185807 [0,2,0,0,0,0|2,0,0]=4 19281 B17R1.1779 CCN(C)C(C)CCNC(=O)c1ccccc1 527a_100011369392_100000185807 [0,2,0,0,0,0|2,0,0]=4 19282 B17R1.1779 COC(C)C(=O)CCOC(=O)c1ccccc1 1458a_100000743197_100000184176 [0,2,0,0,0,0|1,0,1]=4 19283 B17R1.1779 CSC(C)C(=O)CCOC(=O)c1ccccc1 1458a_100000149566_100000184176 [0,2,0,0,0,0|1,0,1]=4 19284 B17R1.1779 O=C(OCCC(=O)C(O)CO)c1ccccc1 1458a_100011215603_100000184176 [0,2,0,0,0,0|1,0,1]=4 19285 B17R1.4241 CC(C)(CCBr)OCOC(=O)c1ccccc1 7a_100000702414_100000073877 [0,2,0,0,0,0|2,0,0]=4 19286 B17R1.4241 CCCC(C)(C)COCC(=O)c1ccccc1 7a_100011995695_100000211460 [0,2,0,0,0,0|2,0,0]=4 19287 B17R1.4241 CCCC(C)(C)OCCC(=O)c1ccccc1 7a_100000748436_100000750707 [0,2,0,0,0,0|2,0,0]=4 19288 B17R1.4241 CCCC(C)(C)OCOC(=O)c1ccccc1 7a_100000748436_100000073877 [0,2,0,0,0,0|1,0,0]=3 19289 B17R1.4241 CSCC(C)(C)NCOC(=O)c1ccccc1 7a_100000759623_100000073877 [0,2,0,0,0,0|2,0,0]=4 19290 B17R1.21452 CCCC(=O)CCNC(=O)c1ccccc1C 1458a_100000195313_100000210303 [0,2,0,0,0,0|1,0,1]=4 19291 B17R1.21452 CCCC(=O)CCNC(=O)c1ccccc1Cl 1458a_100000182440_100000210303 [0,2,0,0,0,0|1,0,1]=4 19292 B17R1.21452 CCCC(C)CCOC(C)c1ccccc1Cl 7a_100011217855_100000181259 [0,2,0,0,0,0|1,0,1]=4 19293 B17R1.21452 CCCC(C)CCOC(C)c1ccccc1F 34a_100011217855_200000741388 [0,2,0,0,0,0|1,0,1]=4 19294 B17R1.21452 CCCC(C)CCOC(C)c1ccccc1F 7a_100011217855_200000741388 [0,2,0,0,0,0|1,0,1]=4 19295 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1Br 34a_100000688023_100000199116 [0,2,0,0,0,0|2,0,0]=4 19296 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1C 34a_100000688023_100000741374 [0,2,0,0,0,0|2,0,0]=4 19297 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1C 7a_100000688023_100000741374 [0,2,0,0,0,0|2,0,0]=4 19298 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1Cl 34a_100000688023_100000211432 [0,2,0,0,0,0|2,0,0]=4 19299 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1F 34a_100000688023_100000204681 [0,2,0,0,0,0|2,0,0]=4 19300 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1F 7a_100000688023_100000204681 [0,2,0,0,0,0|2,0,0]=4 19301 B17R1.21452 CCCC(C)COCC(=O)c1ccccc1O 7a_100000688023_100000188908 [0,2,0,0,0,0|2,0,0]=4 19302 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1Br 62a_100000199116_100011216630 [0,2,0,0,0,0|2,0,0]=4 19303 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1C 62a_100000741374_100011216630 [0,2,0,0,0,0|2,0,0]=4 19304 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1C 62a_100011216630_100000741374 [0,2,0,0,0,0|2,0,0]=4 19305 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1Cl 62a_100000211432_100011216630 [0,2,0,0,0,0|2,0,0]=4 19306 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1Cl 62a_100011216630_100000211432 [0,2,0,0,0,0|2,0,0]=4 19307 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1F 62a_100000204681_100011216630 [0,2,0,0,0,0|2,0,0]=4 19308 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1F 62a_100011216630_100000204681 [0,2,0,0,0,0|2,0,0]=4 19309 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1O 62a_100000188908_100011216630 [0,2,0,0,0,0|2,0,0]=4 19310 B17R1.21452 CCCC(C)CSCC(=O)c1ccccc1O 62a_100011216630_100000188908 [0,2,0,0,0,0|2,0,0]=4 19311 B17R1.21452 CCCC(C)NCCC(=O)c1ccccc1F 2230a_100000741246_100000086012 [0,2,0,0,0,0|2,0,0]=4 19312 B17R1.21452 CCCC(C)OCCC(=O)c1ccccc1F 7a_100000764384_100000086012 [0,2,0,0,0,0|2,0,0]=4 19313 B17R1.21452 CCCC(C)OCCC(=O)c1ccccc1O 7a_100000764384_100009873196 [0,2,0,0,0,0|2,0,0]=4 19314 B17R1.21452 CCCC(C)SCCC(=O)c1ccccc1F 62a_100000086012_100000766640 [0,2,0,0,0,0|2,0,0]=4 19315 B17R1.21452 CCCC(C)SCCC(=O)c1ccccc1F 62a_100000766640_100000086012 [0,2,0,0,0,0|2,0,0]=4 19316 B17R1.21452 CCCC(C)SCCC(=O)c1ccccc1O 62a_100000766640_100009873196 [0,2,0,0,0,0|2,0,0]=4 19317 B17R1.21452 CCC[C@H](N)CCOC(C)c1ccccc1F 34a_100015193777_200000741388 [0,2,0,0,0,0|1,0,1]=4 19318 B17R1.21452 CCC[C@H](N)COCC(=O)c1ccccc1Br 34a_100000732646_100000199116 [0,2,0,0,0,0|2,0,0]=4 19319 B17R1.21452 CCC[C@H](N)COCC(=O)c1ccccc1C 34a_100000732646_100000741374 [0,2,0,0,0,0|2,0,0]=4 19320 B17R1.21452 CCC[C@H](N)COCC(=O)c1ccccc1Cl 34a_100000732646_100000211432 [0,2,0,0,0,0|2,0,0]=4 19321 B17R1.21452 CCC[C@H](N)COCC(=O)c1ccccc1F 34a_100000732646_100000204681 [0,2,0,0,0,0|2,0,0]=4 19322 B17R1.396 CC(C)(CCl)COCOC(=O)c1ccccc1 7a_100011217199_100000073877 [0,2,0,0,0,0|2,0,0]=4 19323 B17R1.396 CC(C)(CCl)OCCOC(=O)c1ccccc1 7a_100000764493_100000184176 [0,2,0,0,0,0|2,0,0]=4 19324 B17R1.396 CC(C)(CO)CCCNC(=O)c1ccccc1 240690a_100000039164_100000185807 [0,2,0,0,0,0|2,0,0]=4 19325 B17R1.396 CC(C)(CO)CCCNC(=O)c1ccccc1 527a_100000039164_100000185807 [0,2,0,0,0,0|2,0,0]=4 19326 B17R1.396 CC(C)(CO)CSCOC(=O)c1ccccc1 62a_100000073877_100009813988 [0,2,0,0,0,0|2,0,0]=4 19327 B17R1.396 CC(C)(CO)CSCOC(=O)c1ccccc1 62a_100009813988_100000073877 [0,2,0,0,0,0|2,0,0]=4 19328 B17R1.396 CCC(C)(C)COCCC(=O)c1ccccc1 7a_100000765029_100000750707 [0,2,0,0,0,0|2,0,0]=4 19329 B17R1.396 CCC(C)(C)COCOC(=O)c1ccccc1 7a_100000765029_100000073877 [0,2,0,0,0,0|1,0,0]=3 19330 B17R1.396 CCC(C)(C)NCCCC(=O)c1ccccc1 2230a_100000211385_100000211006 [0,2,0,0,0,0|2,0,0]=4 19331 B17R1.396 CCC(C)(C)OCCCC(=O)c1ccccc1 7a_100000210230_100000211006 [0,2,0,0,0,0|2,0,0]=4 19332 B17R1.396 CCC(C)(C)OCCNC(=O)c1ccccc1 7a_100000210230_200011215302 [0,2,0,0,0,0|2,0,0]=4 19333 B17R1.396 CCC(C)(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000210677 [0,2,0,0,0,0|2,0,0]=4 19334 B17R1.396 CCC(C)(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000210677 [0,2,0,0,0,0|1,0,0]=3 19335 B17R1.396 CCC(C)(C)OCCOC(=O)c1ccccc1 7a_100000210230_100000184176 [0,2,0,0,0,0|1,0,0]=3 19336 B17R1.396 CCC(C)(C)SCCCC(=O)c1ccccc1 62a_100000032637_100000211006 [0,2,0,0,0,0|2,0,0]=4 19337 B17R1.396 CCC(C)(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000032637 [0,2,0,0,0,0|2,0,0]=4 19338 B17R1.396 CCC(C)(C)SCCNC(=O)c1ccccc1 62a_100000032637_200011215302 [0,2,0,0,0,0|2,0,0]=4 19339 B17R1.396 CCC(C)(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000032637 [0,2,0,0,0,0|2,0,0]=4 19340 B17R1.396 CCC(C)(C)SCCOC(=O)c1ccccc1 62a_100000032637_100009812718 [0,2,0,0,0,0|1,0,0]=3 19341 B17R1.396 CCC(C)(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000032637 [0,2,0,0,0,0|1,0,0]=3 19342 B17R1.396 COC(C)(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000701081 [0,2,0,0,0,0|2,0,0]=4 19343 B17R1.396 COC(C)(C)CSCOC(=O)c1ccccc1 62a_100000701081_100000073877 [0,2,0,0,0,0|2,0,0]=4 19344 B17R1.396 O=C(OCCSC(F)(F)CO)c1ccccc1 62a_100009812718_100011217949 [0,2,0,0,0,0|2,0,0]=4 19345 B17R1.396 O=C(OCCSC(F)(F)CO)c1ccccc1 62a_100011217949_100009812718 [0,2,0,0,0,0|2,0,0]=4 19346 B17R1.618 C#CC(CC)OCCCC(=O)c1ccccc1 7a_100000758843_100000211006 [0,2,0,0,0,0|2,0,0]=4 19347 B17R1.618 C#CC(CC)OCCNC(=O)c1ccccc1 7a_100000758843_200011215302 [0,2,0,0,0,0|2,0,0]=4 19348 B17R1.618 C#CC(CC)OCCOC(=O)c1ccccc1 34a_100000758843_100009812718 [0,2,0,0,0,0|1,0,0]=3 19349 B17R1.618 C#CC(CC)OCCOC(=O)c1ccccc1 7a_100000758843_100000184176 [0,2,0,0,0,0|1,0,0]=3 19350 B17R1.618 C=CC(CC)OCCCC(=O)c1ccccc1 7a_100000766422_100000211006 [0,2,0,0,0,0|2,0,0]=4 19351 B17R1.618 C=CC(CC)OCCNC(=O)c1ccccc1 7a_100000766422_200011215302 [0,2,0,0,0,0|2,0,0]=4 19352 B17R1.618 C=CC(CC)OCCOC(=O)c1ccccc1 34a_100000766422_100009812718 [0,2,0,0,0,0|1,0,0]=3 19353 B17R1.618 C=CC(CC)OCCOC(=O)c1ccccc1 7a_100000766422_100000184176 [0,2,0,0,0,0|1,0,0]=3 19354 B17R1.618 C=C[C@@H](CO)NCCOC(=O)c1ccccc1 34a_100016989147_100009812718 [0,2,0,0,0,0|2,0,0]=4 19355 B17R1.618 CCC(CC)CNCCC(=O)c1ccccc1 2230a_100102946423_100000750707 [0,2,0,0,0,0|2,0,0]=4 19356 B17R1.618 CCC(CC)COCCC(=O)c1ccccc1 7a_100000703878_100000750707 [0,2,0,0,0,0|2,0,0]=4 19357 B17R1.618 CCC(CC)COCOC(=O)c1ccccc1 7a_100000703878_100000073877 [0,2,0,0,0,0|1,0,0]=3 19358 B17R1.618 CCC(CC)CSCCC(=O)c1ccccc1 62a_100000750707_100011215472 [0,2,0,0,0,0|2,0,0]=4 19359 B17R1.618 CCC(CC)CSCCC(=O)c1ccccc1 62a_100011215472_100000750707 [0,2,0,0,0,0|2,0,0]=4 19360 B17R1.618 CCC(CC)CSCOC(=O)c1ccccc1 62a_100000073877_100011215472 [0,2,0,0,0,0|1,0,0]=3 19361 B17R1.618 CCC(CC)CSCOC(=O)c1ccccc1 62a_100011215472_100000073877 [0,2,0,0,0,0|1,0,0]=3 19362 B17R1.618 CCC(CC)NCCCC(=O)c1ccccc1 2230a_100000199018_100000211006 [0,2,0,0,0,0|2,0,0]=4 19363 B17R1.618 CCC(CC)NCCNC(=O)c1ccccc1 270004a_100000736134_100000210860 [0,2,0,0,0,0|2,0,0]=4 19364 B17R1.618 CCC(CC)OCCCC(=O)c1ccccc1 7a_100000688536_100000211006 [0,2,0,0,0,0|2,0,0]=4 19365 B17R1.618 CCC(CC)OCCNC(=O)c1ccccc1 7a_100000688536_200011215302 [0,2,0,0,0,0|2,0,0]=4 19366 B17R1.618 CCC(CC)OCCNC(=O)c1ccccc1 7a_200000158897_100000210505 [0,2,0,0,0,0|2,0,0]=4 19367 B17R1.618 CCC(CC)OCCOC(=O)c1ccccc1 7a_100000025465_100000210505 [0,2,0,0,0,0|1,0,0]=3 19368 B17R1.618 CCC(CC)OCCOC(=O)c1ccccc1 7a_100000688536_100000184176 [0,2,0,0,0,0|1,0,0]=3 19369 B17R1.618 CCC(CC)SCCCC(=O)c1ccccc1 62a_100000210505_100000211006 [0,2,0,0,0,0|2,0,0]=4 19370 B17R1.618 CCC(CC)SCCCC(=O)c1ccccc1 62a_100000211006_100000210505 [0,2,0,0,0,0|2,0,0]=4 19371 B17R1.618 CCC(CC)SCCNC(=O)c1ccccc1 62a_100000210505_200011215302 [0,2,0,0,0,0|2,0,0]=4 19372 B17R1.618 CCC(CC)SCCNC(=O)c1ccccc1 62a_200011215302_100000210505 [0,2,0,0,0,0|2,0,0]=4 19373 B17R1.618 CCC(CC)SCCOC(=O)c1ccccc1 62a_100000210505_100009812718 [0,2,0,0,0,0|1,0,0]=3 19374 B17R1.618 CCC(CC)SCCOC(=O)c1ccccc1 62a_100009812718_100000210505 [0,2,0,0,0,0|1,0,0]=3 19375 B17R1.618 CCC(COCCC(=O)c1ccccc1)OC 7a_100011934954_100000750707 [0,2,0,0,0,0|2,0,0]=4 19376 B17R1.618 CCC(COCOC(=O)c1ccccc1)OC 7a_100011934954_100000073877 [0,2,0,0,0,0|1,0,0]=3 19377 B17R1.618 CCN(CC)CCCNC(=O)c1ccccc1 1626a_100000211093_100000185807 [0,2,0,0,0,0|2,0,0]=4 19378 B17R1.618 CCN(CC)CCCNC(=O)c1ccccc1 240690a_100000211093_100000185807 [0,2,0,0,0,0|2,0,0]=4 19379 B17R1.618 CCN(CC)CCCOC(=O)c1ccccc1 269956a_100000042499_200009892979 [0,2,0,0,0,0|1,0,0]=3 19380 B17R1.618 CCN(CC)CCCOC(=O)c1ccccc1 269982a_100000724800_200009892979 [0,2,0,0,0,0|1,0,0]=3 19381 B17R1.618 CCN(CC)COCOC(=O)c1ccccc1 7a_200015374951_100000073877 [0,2,0,0,0,0|2,0,0]=4 19382 B17R1.618 CC[C@@H](CO)NCCCC(=O)c1ccccc1 2230a_100000709445_100000211006 [0,2,0,0,0,0|2,0,0]=4 19383 B17R1.618 COC(CCCNC(=O)c1ccccc1)OC 11a_100000034021_100000185807 [0,2,0,0,0,0|2,0,0]=4 19384 B17R1.618 COC(CCCNC(=O)c1ccccc1)OC 1626a_100000034021_100000185807 [0,2,0,0,0,0|2,0,0]=4 19385 B17R1.618 COC(CCCNC(=O)c1ccccc1)OC 240690a_100000034021_100000185807 [0,2,0,0,0,0|2,0,0]=4 19386 B17R1.618 COC(CCCNC(=O)c1ccccc1)OC 527a_100000034021_100000185807 [0,2,0,0,0,0|2,0,0]=4 19387 B17R1.618 COC(CSCOC(=O)c1ccccc1)OC 62a_100000073877_100000751394 [0,2,0,0,0,0|2,0,0]=4 19388 B17R1.618 COC(CSCOC(=O)c1ccccc1)OC 62a_100000751394_100000073877 [0,2,0,0,0,0|2,0,0]=4 19389 B17R1.618 NCC(CN)OCCOC(=O)c1ccccc1 34a_100000031598_100009812718 [0,2,0,0,0,0|2,0,0]=4 19390 B17R1.618 O=C(OCCOC(CCl)CCl)c1ccccc1 7a_100000737055_100000184176 [0,2,0,0,0,0|2,0,0]=4 19391 B17R1.618 O=C(OCCOC(CF)CF)c1ccccc1 34a_100000032261_100009812718 [0,2,0,0,0,0|2,0,0]=4 19392 B17R1.618 O=C(OCCOC(CF)CF)c1ccccc1 7a_100000032261_100000184176 [0,2,0,0,0,0|2,0,0]=4 19393 B17R1.618 O=C(OCCO[C@@H](CF)CCl)c1ccccc1 34a_100015614560_100009812718 [0,2,0,0,0,0|2,0,0]=4 19394 B17R1.618 O=C(OCCO[C@@H](CF)CCl)c1ccccc1 7a_100015614560_100000184176 [0,2,0,0,0,0|2,0,0]=4 19395 B17R1.4778 CCC(C)CCCOC(F)(F)c1ccccc1 7a_100011216074_100000036403 [0,2,0,0,0,0|1,0,1]=4 19396 B17R1.4778 CCC(C)OCCOS(=O)(=O)c1ccccc1 7a_100000210228_200000070464 [0,2,0,0,0,0|2,0,0]=4 19397 B17R1.4778 CCC(C)SCCOS(=O)(=O)c1ccccc1 62a_100000758301_200000070464 [0,2,0,0,0,0|2,0,0]=4 19398 B17R1.24240 CCC(C)CCCOC(C)c1ccccc1Cl 7a_100011216074_100000181259 [0,2,0,0,0,0|1,0,1]=4 19399 B17R1.24240 CCC(C)CCCOC(C)c1ccccc1F 7a_100011216074_200000741388 [0,2,0,0,0,0|1,0,1]=4 19400 B17R1.24240 CCC(C)CCNCC(=O)c1ccccc1C 2230a_100020591266_100000741374 [0,2,0,0,0,0|2,0,0]=4 19401 B17R1.24240 CCC(C)CCOCC(=O)c1ccccc1C 7a_100011215188_100000741374 [0,2,0,0,0,0|2,0,0]=4 19402 B17R1.24240 CCC(C)CCOCC(=O)c1ccccc1F 7a_100011215188_100000204681 [0,2,0,0,0,0|2,0,0]=4 19403 B17R1.24240 CCC(C)CCOCC(=O)c1ccccc1O 7a_100011215188_100000188908 [0,2,0,0,0,0|2,0,0]=4 19404 B17R1.24240 CCC(C)CNCCC(=O)c1ccccc1F 2230a_100020588543_100000086012 [0,2,0,0,0,0|2,0,0]=4 19405 B17R1.24240 CCC(C)CSCCC(=O)c1ccccc1F 62a_100000086012_100000748023 [0,2,0,0,0,0|2,0,0]=4 19406 B17R1.24240 CCC(C)CSCCC(=O)c1ccccc1F 62a_100000748023_100000086012 [0,2,0,0,0,0|2,0,0]=4 19407 B17R1.24240 CCC(C)CSCCC(=O)c1ccccc1O 62a_100000748023_100009873196 [0,2,0,0,0,0|2,0,0]=4 19408 B17R1.24240 CCC(C)NCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000758301 [0,2,0,0,0,0|2,0,0]=4 19409 B17R1.24240 CCC(C)NCCNC(=O)c1ccccc1Cl 34a_100000737833_100011215416 [0,2,0,0,0,0|2,0,0]=4 19410 B17R1.24240 CCC(C)OCCNC(=O)c1ccccc1Br 34a_200000158863_100011215416 [0,2,0,0,0,0|2,0,0]=4 19411 B17R1.24240 CCC(C)OCCNC(=O)c1ccccc1Br 7a_200000158863_100000758301 [0,2,0,0,0,0|2,0,0]=4 19412 B17R1.24240 CCC(O)CNCCC(=O)c1ccccc1F 2230a_100011218483_100000086012 [0,2,0,0,0,0|2,0,0]=4 19413 B17R1.24240 CCC(O)CSCCC(=O)c1ccccc1F 62a_100000086012_100011218378 [0,2,0,0,0,0|2,0,0]=4 19414 B17R1.24240 CCC(O)CSCCC(=O)c1ccccc1F 62a_100011218378_100000086012 [0,2,0,0,0,0|2,0,0]=4 19415 B17R1.24240 CCC(O)CSCCC(=O)c1ccccc1O 62a_100011218378_100009873196 [0,2,0,0,0,0|2,0,0]=4 19416 B17R1.24240 CC[C@H](C)COCCC(=O)c1ccccc1F 7a_100009816381_100000086012 [0,2,0,0,0,0|2,0,0]=4 19417 B17R1.24240 CC[C@H](C)COCCC(=O)c1ccccc1O 7a_100009816381_100009873196 [0,2,0,0,0,0|2,0,0]=4 19418 B17R1.24240 CC[C@H](C)CSCCC(=O)c1ccccc1F 62a_100000086012_100009816398 [0,2,0,0,0,0|2,0,0]=4 19419 B17R1.24240 CC[C@H](C)CSCCC(=O)c1ccccc1F 62a_100009816398_100000086012 [0,2,0,0,0,0|2,0,0]=4 19420 B17R1.24240 CC[C@H](C)CSCCC(=O)c1ccccc1O 62a_100009816398_100009873196 [0,2,0,0,0,0|2,0,0]=4 19421 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1Br 270084a_100000210581_100000184729 [0,2,0,0,0,0|2,0,0]=4 19422 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1Br 274078a_100000210581_100000184729 [0,2,0,0,0,0|2,0,0]=4 19423 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1Br 40a_100000210581_100010380725 [0,2,0,0,0,0|2,0,0]=4 19424 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1C 270084a_100000210581_100000750907 [0,2,0,0,0,0|2,0,0]=4 19425 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1C 274078a_100000210581_100000750907 [0,2,0,0,0,0|2,0,0]=4 19426 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1C 40a_100000210581_100010269479 [0,2,0,0,0,0|2,0,0]=4 19427 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1Cl 270084a_100000210581_100000184199 [0,2,0,0,0,0|2,0,0]=4 19428 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1Cl 274078a_100000210581_100000184199 [0,2,0,0,0,0|2,0,0]=4 19429 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1F 270084a_100000210581_100000184916 [0,2,0,0,0,0|2,0,0]=4 19430 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1F 274078a_100000210581_100000184916 [0,2,0,0,0,0|2,0,0]=4 19431 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1I 270084a_100000210581_100011191325 [0,2,0,0,0,0|2,0,0]=4 19432 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1I 274078a_100000210581_100011191325 [0,2,0,0,0,0|2,0,0]=4 19433 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1N 40a_100000210581_100000703237 [0,2,0,0,0,0|2,0,0]=4 19434 B17R1.25170 CCCCCCNS(=O)(=O)c1ccccc1O 271570a_203496583355_200000254694 [0,2,0,0,0,0|2,0,0]=4 19435 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1Br 34a_100011346021_100000210314 [0,2,0,0,0,0|1,0,1]=4 19436 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1Br 7a_100011346021_100000210314 [0,2,0,0,0,0|1,0,1]=4 19437 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000210314 [0,2,0,0,0,0|1,0,1]=4 19438 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000210314 [0,2,0,0,0,0|1,0,1]=4 19439 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1F 34a_100011345963_100000210314 [0,2,0,0,0,0|1,0,1]=4 19440 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1F 7a_100011345963_100000210314 [0,2,0,0,0,0|1,0,1]=4 19441 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1I 34a_100010296449_100000210314 [0,2,0,0,0,0|1,0,1]=4 19442 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1I 7a_100010296449_100000210314 [0,2,0,0,0,0|1,0,1]=4 19443 B17R1.25170 CCCCCCOC(C)(C)c1ccccc1N 7a_100000081495_100000210314 [0,2,0,0,0,0|1,0,1]=4 19444 B17R1.25170 CCCCCCOC(F)(F)c1ccccc1F 34a_100000210259_100000070671 [0,2,0,0,0,0|1,0,1]=4 19445 B17R1.25170 CCCCCCOC(F)(F)c1ccccc1F 7a_100000210259_100000070671 [0,2,0,0,0,0|1,0,1]=4 19446 B17R1.9267 C#Cc1ccccc1C(=O)CCCCCCC 1458a_100011243808_100000210614 [0,2,0,0,0,0|1,0,0]=3 19447 B17R1.9267 C#Cc1ccccc1C(=O)CCCCCCF 1458a_100011243808_100015922095 [0,2,0,0,0,0|2,0,0]=4 19448 B17R1.9267 C#Cc1ccccc1C(=O)CCCCCCO 1458a_100011243808_100000766143 [0,2,0,0,0,0|2,0,0]=4 19449 B17R1.9267 C#Cc1ccccc1C(=O)CCOCCCC 1458a_100011243808_100000743108 [0,2,0,0,0,0|2,0,0]=4 19450 B17R1.9267 C#Cc1ccccc1C(=O)NCCCCCC 527a_100000210581_100011243808 [0,2,0,0,0,0|1,0,0]=3 19451 B17R1.9267 C#Cc1ccccc1C(=O)NCCCOCC 527a_100000210961_100011243808 [0,2,0,0,0,0|2,0,0]=4 19452 B17R1.9267 C#Cc1ccccc1C(=O)NCCOCCC 527a_100161115042_100011243808 [0,2,0,0,0,0|2,0,0]=4 19453 B17R1.9267 C#Cc1ccccc1C(=O)NCCSCCC 527a_100020603323_100011243808 [0,2,0,0,0,0|2,0,0]=4 19454 B17R1.9267 C#Cc1ccccc1C(=O)NNCCCCC 22a_100000694160_100011243808 [0,2,0,0,0,0|2,0,0]=4 19455 B17R1.9267 C=Cc1ccccc1C(=O)CCCCCCC 1458a_100011830265_100000210614 [0,2,0,0,0,0|1,0,0]=3 19456 B17R1.9267 C=Cc1ccccc1C(=O)CCCCCCF 1458a_100011830265_100015922095 [0,2,0,0,0,0|2,0,0]=4 19457 B17R1.9267 C=Cc1ccccc1C(=O)CCCCCCO 1458a_100011830265_100000766143 [0,2,0,0,0,0|2,0,0]=4 19458 B17R1.9267 C=Cc1ccccc1C(=O)CCOCCCC 1458a_100011830265_100000743108 [0,2,0,0,0,0|2,0,0]=4 19459 B17R1.9267 C=Cc1ccccc1C(=O)NCCCCCC 1626a_100000210581_100011830265 [0,2,0,0,0,0|1,0,0]=3 19460 B17R1.9267 C=Cc1ccccc1C(=O)NCCCOCC 1626a_100000210961_100011830265 [0,2,0,0,0,0|2,0,0]=4 19461 B17R1.9267 C=Cc1ccccc1C(=O)NCCOCCC 1626a_100161115042_100011830265 [0,2,0,0,0,0|2,0,0]=4 19462 B17R1.9267 C=Cc1ccccc1C(=O)NNCCCCC 22a_100000694160_100011830265 [0,2,0,0,0,0|2,0,0]=4 19463 B17R1.9267 CC/C=C\CCOC(=O)c1ccccc1OC 7a_200016996414_200000210301 [0,2,0,0,0,0|0,0,2]=4 19464 B17R1.9267 CC/C=C\CCOC(=O)c1ccccc1O[13CH3] 7a_200016996414_200025704644 [0,2,0,0,0,0|0,0,2]=4 19465 B17R1.9267 CCCCCCCC(=O)c1ccccc1C#N 1458a_100000742908_100000210614 [0,2,0,0,0,0|1,0,0]=3 19466 B17R1.9267 CCCCCCCC(=O)c1ccccc1CC 1458a_100000689120_100000210614 [0,2,0,0,0,0|1,0,0]=3 19467 B17R1.9267 CCCCCCCC(=O)c1ccccc1CO 1458a_100011301526_100000210614 [0,2,0,0,0,0|1,0,0]=3 19468 B17R1.9267 CCCCCCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210614 [0,2,0,0,0,0|1,0,0]=3 19469 B17R1.9267 CCCCCCCC(=O)c1ccccc1OC 1458a_100000185835_100000210614 [0,2,0,0,0,0|1,0,0]=3 19470 B17R1.9267 CCCCCCCC(=O)c1ccccc1SC 1458a_100000183967_100000210614 [0,2,0,0,0,0|1,0,0]=3 19471 B17R1.9267 CCCCCCNC(=O)c1ccccc1C#N 11a_100000210581_100000742908 [0,2,0,0,0,0|1,0,0]=3 19472 B17R1.9267 CCCCCCNC(=O)c1ccccc1C#N 1626a_100000210581_100000742908 [0,2,0,0,0,0|1,0,0]=3 19473 B17R1.9267 CCCCCCNC(=O)c1ccccc1C#N 527a_100000210581_100000742908 [0,2,0,0,0,0|1,0,0]=3 19474 B17R1.9267 CCCCCCNC(=O)c1ccccc1CC 11a_100000210581_100000689120 [0,2,0,0,0,0|1,0,0]=3 19475 B17R1.9267 CCCCCCNC(=O)c1ccccc1CC 1626a_100000210581_100000689120 [0,2,0,0,0,0|1,0,0]=3 19476 B17R1.9267 CCCCCCNC(=O)c1ccccc1CC 240690a_100000210581_100000689120 [0,2,0,0,0,0|1,0,0]=3 19477 B17R1.9267 CCCCCCNC(=O)c1ccccc1CC 527a_100000210581_100000689120 [0,2,0,0,0,0|1,0,0]=3 19478 B17R1.9267 CCCCCCNC(=O)c1ccccc1I=O 1626a_100000210581_100000032414 [0,2,0,0,0,0|1,0,0]=3 19479 B17R1.9267 CCCCCCNC(=O)c1ccccc1I=O 240690a_100000210581_100000032414 [0,2,0,0,0,0|1,0,0]=3 19480 B17R1.9267 CCCCCCNC(=O)c1ccccc1I=O 527a_100000210581_100000032414 [0,2,0,0,0,0|1,0,0]=3 19481 B17R1.9267 CCCCCCNC(=O)c1ccccc1OC 11a_100000210581_100000185835 [0,2,0,0,0,0|1,0,0]=3 19482 B17R1.9267 CCCCCCNC(=O)c1ccccc1OC 1626a_100000210581_100000185835 [0,2,0,0,0,0|1,0,0]=3 19483 B17R1.9267 CCCCCCNC(=O)c1ccccc1OC 240690a_100000210581_100000185835 [0,2,0,0,0,0|1,0,0]=3 19484 B17R1.9267 CCCCCCNC(=O)c1ccccc1OC 527a_100000210581_100000185835 [0,2,0,0,0,0|1,0,0]=3 19485 B17R1.9267 CCCCCCNC(=O)c1ccccc1SC 11a_100000210581_100000183967 [0,2,0,0,0,0|1,0,0]=3 19486 B17R1.9267 CCCCCCNC(=O)c1ccccc1SC 1626a_100000210581_100000183967 [0,2,0,0,0,0|1,0,0]=3 19487 B17R1.9267 CCCCCCNC(=O)c1ccccc1SC 240690a_100000210581_100000183967 [0,2,0,0,0,0|1,0,0]=3 19488 B17R1.9267 CCCCCCNC(=O)c1ccccc1SC 527a_100000210581_100000183967 [0,2,0,0,0,0|1,0,0]=3 19489 B17R1.9267 CCCCCCOC(=O)c1ccccc1OC 7a_100000038093_200000210301 [0,2,0,0,0,0|0,0,0]=2 19490 B17R1.9267 CCCCCCOC(=O)c1ccccc1O[13CH3] 7a_100000038093_200025704644 [0,2,0,0,0,0|0,0,0]=2 19491 B17R1.9267 CCCCCCOC(C)c1ccccc1OC 7a_100000742714_100000210314 [0,2,0,0,0,0|1,0,1]=4 19492 B17R1.9267 CCCCCNNC(=O)c1ccccc1C#N 22a_100000694160_100000742908 [0,2,0,0,0,0|2,0,0]=4 19493 B17R1.9267 CCCCCNNC(=O)c1ccccc1CC 22a_100000694160_100000689120 [0,2,0,0,0,0|2,0,0]=4 19494 B17R1.9267 CCCCCNNC(=O)c1ccccc1I=O 22a_100000694160_100000032414 [0,2,0,0,0,0|2,0,0]=4 19495 B17R1.9267 CCCCCNNC(=O)c1ccccc1OC 22a_100000694160_100000185835 [0,2,0,0,0,0|2,0,0]=4 19496 B17R1.9267 CCCCCNNC(=O)c1ccccc1SC 22a_100000694160_100000183967 [0,2,0,0,0,0|2,0,0]=4 19497 B17R1.9267 CCCCCOCC(=O)c1ccccc1OC 34a_100000210253_100000195505 [0,2,0,0,0,0|2,0,0]=4 19498 B17R1.9267 CCCCCOCC(=O)c1ccccc1OC 7a_100000210253_100000195505 [0,2,0,0,0,0|2,0,0]=4 19499 B17R1.9267 CCCCCSCC(=O)c1ccccc1OC 62a_100000195505_100000210326 [0,2,0,0,0,0|2,0,0]=4 19500 B17R1.9267 CCCCOCCC(=O)c1ccccc1C#N 1458a_100000742908_100000743108 [0,2,0,0,0,0|2,0,0]=4 19501 B17R1.9267 CCCCOCCC(=O)c1ccccc1CC 1458a_100000689120_100000743108 [0,2,0,0,0,0|2,0,0]=4 19502 B17R1.9267 CCCCOCCC(=O)c1ccccc1CO 1458a_100011301526_100000743108 [0,2,0,0,0,0|2,0,0]=4 19503 B17R1.9267 CCCCOCCC(=O)c1ccccc1I=O 1458a_100000032414_100000743108 [0,2,0,0,0,0|2,0,0]=4 19504 B17R1.9267 CCCCOCCC(=O)c1ccccc1OC 1458a_100000185835_100000743108 [0,2,0,0,0,0|2,0,0]=4 19505 B17R1.9267 CCCCOCCC(=O)c1ccccc1SC 1458a_100000183967_100000743108 [0,2,0,0,0,0|2,0,0]=4 19506 B17R1.9267 CCCOCCNC(=O)c1ccccc1C#N 1626a_100161115042_100000742908 [0,2,0,0,0,0|2,0,0]=4 19507 B17R1.9267 CCCOCCNC(=O)c1ccccc1C#N 527a_100161115042_100000742908 [0,2,0,0,0,0|2,0,0]=4 19508 B17R1.9267 CCCOCCNC(=O)c1ccccc1CC 1626a_100161115042_100000689120 [0,2,0,0,0,0|2,0,0]=4 19509 B17R1.9267 CCCOCCNC(=O)c1ccccc1CC 240690a_100161115042_100000689120 [0,2,0,0,0,0|2,0,0]=4 19510 B17R1.9267 CCCOCCNC(=O)c1ccccc1CC 527a_100161115042_100000689120 [0,2,0,0,0,0|2,0,0]=4 19511 B17R1.9267 CCCOCCNC(=O)c1ccccc1I=O 1626a_100161115042_100000032414 [0,2,0,0,0,0|2,0,0]=4 19512 B17R1.9267 CCCOCCNC(=O)c1ccccc1I=O 240690a_100161115042_100000032414 [0,2,0,0,0,0|2,0,0]=4 19513 B17R1.9267 CCCOCCNC(=O)c1ccccc1I=O 527a_100161115042_100000032414 [0,2,0,0,0,0|2,0,0]=4 19514 B17R1.9267 CCCOCCNC(=O)c1ccccc1OC 1626a_100161115042_100000185835 [0,2,0,0,0,0|2,0,0]=4 19515 B17R1.9267 CCCOCCNC(=O)c1ccccc1OC 240690a_100161115042_100000185835 [0,2,0,0,0,0|2,0,0]=4 19516 B17R1.9267 CCCOCCNC(=O)c1ccccc1OC 527a_100161115042_100000185835 [0,2,0,0,0,0|2,0,0]=4 19517 B17R1.9267 CCCOCCNC(=O)c1ccccc1SC 1626a_100161115042_100000183967 [0,2,0,0,0,0|2,0,0]=4 19518 B17R1.9267 CCCOCCNC(=O)c1ccccc1SC 240690a_100161115042_100000183967 [0,2,0,0,0,0|2,0,0]=4 19519 B17R1.9267 CCCOCCNC(=O)c1ccccc1SC 527a_100161115042_100000183967 [0,2,0,0,0,0|2,0,0]=4 19520 B17R1.9267 CCCSCCNC(=O)c1ccccc1C#N 11a_100020603323_100000742908 [0,2,0,0,0,0|2,0,0]=4 19521 B17R1.9267 CCCSCCNC(=O)c1ccccc1C#N 527a_100020603323_100000742908 [0,2,0,0,0,0|2,0,0]=4 19522 B17R1.9267 CCCSCCNC(=O)c1ccccc1CC 11a_100020603323_100000689120 [0,2,0,0,0,0|2,0,0]=4 19523 B17R1.9267 CCCSCCNC(=O)c1ccccc1CC 240690a_100020603323_100000689120 [0,2,0,0,0,0|2,0,0]=4 19524 B17R1.9267 CCCSCCNC(=O)c1ccccc1CC 527a_100020603323_100000689120 [0,2,0,0,0,0|2,0,0]=4 19525 B17R1.9267 CCCSCCNC(=O)c1ccccc1I=O 240690a_100020603323_100000032414 [0,2,0,0,0,0|2,0,0]=4 19526 B17R1.9267 CCCSCCNC(=O)c1ccccc1I=O 527a_100020603323_100000032414 [0,2,0,0,0,0|2,0,0]=4 19527 B17R1.9267 CCCSCCNC(=O)c1ccccc1OC 11a_100020603323_100000185835 [0,2,0,0,0,0|2,0,0]=4 19528 B17R1.9267 CCCSCCNC(=O)c1ccccc1OC 240690a_100020603323_100000185835 [0,2,0,0,0,0|2,0,0]=4 19529 B17R1.9267 CCCSCCNC(=O)c1ccccc1OC 527a_100020603323_100000185835 [0,2,0,0,0,0|2,0,0]=4 19530 B17R1.9267 CCCSCCNC(=O)c1ccccc1SC 11a_100020603323_100000183967 [0,2,0,0,0,0|2,0,0]=4 19531 B17R1.9267 CCCSCCNC(=O)c1ccccc1SC 240690a_100020603323_100000183967 [0,2,0,0,0,0|2,0,0]=4 19532 B17R1.9267 CCCSCCNC(=O)c1ccccc1SC 527a_100020603323_100000183967 [0,2,0,0,0,0|2,0,0]=4 19533 B17R1.9267 CCOCCCNC(=O)c1ccccc1C#N 11a_100000210961_100000742908 [0,2,0,0,0,0|2,0,0]=4 19534 B17R1.9267 CCOCCCNC(=O)c1ccccc1C#N 1626a_100000210961_100000742908 [0,2,0,0,0,0|2,0,0]=4 19535 B17R1.9267 CCOCCCNC(=O)c1ccccc1C#N 527a_100000210961_100000742908 [0,2,0,0,0,0|2,0,0]=4 19536 B17R1.9267 CCOCCCNC(=O)c1ccccc1CC 11a_100000210961_100000689120 [0,2,0,0,0,0|2,0,0]=4 19537 B17R1.9267 CCOCCCNC(=O)c1ccccc1CC 1626a_100000210961_100000689120 [0,2,0,0,0,0|2,0,0]=4 19538 B17R1.9267 CCOCCCNC(=O)c1ccccc1CC 240690a_100000210961_100000689120 [0,2,0,0,0,0|2,0,0]=4 19539 B17R1.9267 CCOCCCNC(=O)c1ccccc1CC 527a_100000210961_100000689120 [0,2,0,0,0,0|2,0,0]=4 19540 B17R1.9267 CCOCCCNC(=O)c1ccccc1I=O 1626a_100000210961_100000032414 [0,2,0,0,0,0|2,0,0]=4 19541 B17R1.9267 CCOCCCNC(=O)c1ccccc1I=O 240690a_100000210961_100000032414 [0,2,0,0,0,0|2,0,0]=4 19542 B17R1.9267 CCOCCCNC(=O)c1ccccc1I=O 527a_100000210961_100000032414 [0,2,0,0,0,0|2,0,0]=4 19543 B17R1.9267 CCOCCCNC(=O)c1ccccc1OC 11a_100000210961_100000185835 [0,2,0,0,0,0|2,0,0]=4 19544 B17R1.9267 CCOCCCNC(=O)c1ccccc1OC 1626a_100000210961_100000185835 [0,2,0,0,0,0|2,0,0]=4 19545 B17R1.9267 CCOCCCNC(=O)c1ccccc1OC 240690a_100000210961_100000185835 [0,2,0,0,0,0|2,0,0]=4 19546 B17R1.9267 CCOCCCNC(=O)c1ccccc1OC 527a_100000210961_100000185835 [0,2,0,0,0,0|2,0,0]=4 19547 B17R1.9267 CCOCCCNC(=O)c1ccccc1SC 11a_100000210961_100000183967 [0,2,0,0,0,0|2,0,0]=4 19548 B17R1.9267 CCOCCCNC(=O)c1ccccc1SC 1626a_100000210961_100000183967 [0,2,0,0,0,0|2,0,0]=4 19549 B17R1.9267 CCOCCCNC(=O)c1ccccc1SC 240690a_100000210961_100000183967 [0,2,0,0,0,0|2,0,0]=4 19550 B17R1.9267 CCOCCCNC(=O)c1ccccc1SC 527a_100000210961_100000183967 [0,2,0,0,0,0|2,0,0]=4 19551 B17R1.9267 CCc1ccccc1C(=O)CCCCCCF 1458a_100000689120_100015922095 [0,2,0,0,0,0|2,0,0]=4 19552 B17R1.9267 CCc1ccccc1C(=O)CCCCCCO 1458a_100000689120_100000766143 [0,2,0,0,0,0|2,0,0]=4 19553 B17R1.9267 CCc1ccccc1C(=O)NCCCCCO 240690a_100000762737_100000689120 [0,2,0,0,0,0|2,0,0]=4 19554 B17R1.9267 COc1ccccc1C(=O)CCCCCCF 1458a_100000185835_100015922095 [0,2,0,0,0,0|2,0,0]=4 19555 B17R1.9267 COc1ccccc1C(=O)CCCCCCO 1458a_100000185835_100000766143 [0,2,0,0,0,0|2,0,0]=4 19556 B17R1.9267 COc1ccccc1C(=O)NCCCCCO 240690a_100000762737_100000185835 [0,2,0,0,0,0|2,0,0]=4 19557 B17R1.9267 CSc1ccccc1C(=O)CCCCCCF 1458a_100000183967_100015922095 [0,2,0,0,0,0|2,0,0]=4 19558 B17R1.9267 CSc1ccccc1C(=O)CCCCCCO 1458a_100000183967_100000766143 [0,2,0,0,0,0|2,0,0]=4 19559 B17R1.9267 CSc1ccccc1C(=O)NCCCCCO 240690a_100000762737_100000183967 [0,2,0,0,0,0|2,0,0]=4 19560 B17R1.9267 N#Cc1ccccc1C(=O)CCCCCCF 1458a_100000742908_100015922095 [0,2,0,0,0,0|2,0,0]=4 19561 B17R1.9267 N#Cc1ccccc1C(=O)CCCCCCO 1458a_100000742908_100000766143 [0,2,0,0,0,0|2,0,0]=4 19562 B17R1.9267 O=C(CCCCCCF)c1ccccc1CO 1458a_100011301526_100015922095 [0,2,0,0,0,0|2,0,0]=4 19563 B17R1.9267 O=C(CCCCCCO)c1ccccc1CO 1458a_100011301526_100000766143 [0,2,0,0,0,0|2,0,0]=4 19564 B17R1.9267 O=Ic1ccccc1C(=O)CCCCCCF 1458a_100000032414_100015922095 [0,2,0,0,0,0|2,0,0]=4 19565 B17R1.9267 O=Ic1ccccc1C(=O)CCCCCCO 1458a_100000032414_100000766143 [0,2,0,0,0,0|2,0,0]=4 19566 B17R1.9267 O=Ic1ccccc1C(=O)NCCCCCO 240690a_100000762737_100000032414 [0,2,0,0,0,0|2,0,0]=4 19567 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000210614 [0,2,0,0,0,0|1,0,0]=3 19568 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000210614 [0,2,0,0,0,0|1,0,0]=3 19569 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000210614 [0,2,0,0,0,0|1,0,0]=3 19570 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000210614 [0,2,0,0,0,0|1,0,0]=3 19571 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000210614 [0,2,0,0,0,0|1,0,0]=3 19572 B17R1.269097 CCCCCCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000210614 [0,2,0,0,0,0|1,0,0]=3 19573 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000210614 [0,2,0,0,0,0|1,0,0]=3 19574 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210614 [0,2,0,0,0,0|1,0,0]=3 19575 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000210614 [0,2,0,0,0,0|1,0,0]=3 19576 B17R1.269097 CCCCCCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000210614 [0,2,0,0,0,0|1,0,0]=3 19577 B17R1.269097 CCCCCCCC(=O)c1c(cccc1F)C 1458a_100000762013_100000210614 [0,2,0,0,0,0|1,0,0]=3 19578 B17R1.269097 CCCCCCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000210614 [0,2,0,0,0,0|1,0,0]=3 19579 B17R1.269097 CCCCCCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000210614 [0,2,0,0,0,0|1,0,0]=3 19580 B17R1.269097 CCCCCCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000210614 [0,2,0,0,0,0|1,0,0]=3 19581 B17R1.269097 CCCCCCCC(=O)c1c(cccc1I)C 1458a_100000688020_100000210614 [0,2,0,0,0,0|1,0,0]=3 19582 B17R1.269097 CCCCCCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000210614 [0,2,0,0,0,0|1,0,0]=3 19583 B17R1.269097 CCCCCCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000210614 [0,2,0,0,0,0|1,0,0]=3 19584 B17R1.269097 CCCCCCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000210614 [0,2,0,0,0,0|1,0,0]=3 19585 B17R1.269097 CCCCCCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000210614 [0,2,0,0,0,0|1,0,0]=3 19586 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Br 11a_100000210581_100000690891 [0,2,0,0,0,0|1,0,0]=3 19587 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Br 1626a_100000210581_100000690891 [0,2,0,0,0,0|1,0,0]=3 19588 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Br 240690a_100000210581_100000690891 [0,2,0,0,0,0|1,0,0]=3 19589 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Br 527a_100000210581_100000690891 [0,2,0,0,0,0|1,0,0]=3 19590 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)C 11a_100000210581_100000701904 [0,2,0,0,0,0|1,0,0]=3 19591 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)C 1626a_100000210581_100000701904 [0,2,0,0,0,0|1,0,0]=3 19592 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)C 240690a_100000210581_100000701904 [0,2,0,0,0,0|1,0,0]=3 19593 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)C 527a_100000210581_100000701904 [0,2,0,0,0,0|1,0,0]=3 19594 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Cl 11a_100000210581_100011253703 [0,2,0,0,0,0|1,0,0]=3 19595 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Cl 1626a_100000210581_100011253703 [0,2,0,0,0,0|1,0,0]=3 19596 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Cl 240690a_100000210581_100011253703 [0,2,0,0,0,0|1,0,0]=3 19597 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)Cl 527a_100000210581_100011253703 [0,2,0,0,0,0|1,0,0]=3 19598 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)F 11a_100000210581_100000752694 [0,2,0,0,0,0|1,0,0]=3 19599 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)F 1626a_100000210581_100000752694 [0,2,0,0,0,0|1,0,0]=3 19600 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)F 240690a_100000210581_100000752694 [0,2,0,0,0,0|1,0,0]=3 19601 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)F 527a_100000210581_100000752694 [0,2,0,0,0,0|1,0,0]=3 19602 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)O 240690a_100000210581_100011935254 [0,2,0,0,0,0|1,0,0]=3 19603 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Br)O 527a_100000210581_100011935254 [0,2,0,0,0,0|1,0,0]=3 19604 B17R1.269097 CCCCCCNC(=O)c1c(cccc1C)C 11a_100000210581_100000758298 [0,2,0,0,0,0|1,0,0]=3 19605 B17R1.269097 CCCCCCNC(=O)c1c(cccc1C)C 1626a_100000210581_100000758298 [0,2,0,0,0,0|1,0,0]=3 19606 B17R1.269097 CCCCCCNC(=O)c1c(cccc1C)C 240690a_100000210581_100000758298 [0,2,0,0,0,0|1,0,0]=3 19607 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)C 11a_100000210581_100000692601 [0,2,0,0,0,0|1,0,0]=3 19608 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)C 1626a_100000210581_100000692601 [0,2,0,0,0,0|1,0,0]=3 19609 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)C 240690a_100000210581_100000692601 [0,2,0,0,0,0|1,0,0]=3 19610 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)Cl 11a_100000210581_100000210656 [0,2,0,0,0,0|1,0,0]=3 19611 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)Cl 1626a_100000210581_100000210656 [0,2,0,0,0,0|1,0,0]=3 19612 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)Cl 240690a_100000210581_100000210656 [0,2,0,0,0,0|1,0,0]=3 19613 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)F 11a_100000210581_100000210369 [0,2,0,0,0,0|1,0,0]=3 19614 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)F 1626a_100000210581_100000210369 [0,2,0,0,0,0|1,0,0]=3 19615 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)F 240690a_100000210581_100000210369 [0,2,0,0,0,0|1,0,0]=3 19616 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)F 527a_100000210581_100000210369 [0,2,0,0,0,0|1,0,0]=3 19617 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)O 240690a_100000210581_100000745519 [0,2,0,0,0,0|1,0,0]=3 19618 B17R1.269097 CCCCCCNC(=O)c1c(cccc1Cl)O 527a_100000210581_100000745519 [0,2,0,0,0,0|1,0,0]=3 19619 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)C 11a_100000210581_100000762013 [0,2,0,0,0,0|1,0,0]=3 19620 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)C 1626a_100000210581_100000762013 [0,2,0,0,0,0|1,0,0]=3 19621 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)C 240690a_100000210581_100000762013 [0,2,0,0,0,0|1,0,0]=3 19622 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)C 527a_100000210581_100000762013 [0,2,0,0,0,0|1,0,0]=3 19623 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)F 11a_100000210581_100000210804 [0,2,0,0,0,0|1,0,0]=3 19624 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)F 1626a_100000210581_100000210804 [0,2,0,0,0,0|1,0,0]=3 19625 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)F 240690a_100000210581_100000210804 [0,2,0,0,0,0|1,0,0]=3 19626 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)F 527a_100000210581_100000210804 [0,2,0,0,0,0|1,0,0]=3 19627 B17R1.269097 CCCCCCNC(=O)c1c(cccc1F)O 527a_100000210581_100000763259 [0,2,0,0,0,0|1,0,0]=3 19628 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Br 11a_100000210581_100010232521 [0,2,0,0,0,0|1,0,0]=3 19629 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Br 1626a_100000210581_100010232521 [0,2,0,0,0,0|1,0,0]=3 19630 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Br 240690a_100000210581_100010232521 [0,2,0,0,0,0|1,0,0]=3 19631 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Br 527a_100000210581_100010232521 [0,2,0,0,0,0|1,0,0]=3 19632 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)C 11a_100000210581_100000688020 [0,2,0,0,0,0|1,0,0]=3 19633 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)C 1626a_100000210581_100000688020 [0,2,0,0,0,0|1,0,0]=3 19634 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)C 240690a_100000210581_100000688020 [0,2,0,0,0,0|1,0,0]=3 19635 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Cl 11a_100000210581_100000702859 [0,2,0,0,0,0|1,0,0]=3 19636 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Cl 1626a_100000210581_100000702859 [0,2,0,0,0,0|1,0,0]=3 19637 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Cl 240690a_100000210581_100000702859 [0,2,0,0,0,0|1,0,0]=3 19638 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)Cl 527a_100000210581_100000702859 [0,2,0,0,0,0|1,0,0]=3 19639 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)F 11a_100000210581_100000023732 [0,2,0,0,0,0|1,0,0]=3 19640 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)F 1626a_100000210581_100000023732 [0,2,0,0,0,0|1,0,0]=3 19641 B17R1.269097 CCCCCCNC(=O)c1c(cccc1I)F 240690a_100000210581_100000023732 [0,2,0,0,0,0|1,0,0]=3 19642 B17R1.269097 CCCCCCNC(=O)c1c(cccc1O)O 527a_100000210581_100000755285 [0,2,0,0,0,0|1,0,0]=3 19643 B17R1.269097 CCCCCCOC(C)c1c(cccc1Br)F 34a_100013085324_100000210314 [0,2,0,0,0,0|1,0,1]=4 19644 B17R1.269097 CCCCCCOC(C)c1c(cccc1Br)F 7a_100013085324_100000210314 [0,2,0,0,0,0|1,0,1]=4 19645 B17R1.269097 CCCCCCOC(C)c1c(cccc1C)C 34a_200000695261_100000210314 [0,2,0,0,0,0|1,0,1]=4 19646 B17R1.269097 CCCCCCOC(C)c1c(cccc1C)C 7a_200000695261_100000210314 [0,2,0,0,0,0|1,0,1]=4 19647 B17R1.269097 CCCCCCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000210314 [0,2,0,0,0,0|1,0,1]=4 19648 B17R1.269097 CCCCCCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000210314 [0,2,0,0,0,0|1,0,1]=4 19649 B17R1.269097 CCCCCCOC(C)c1c(cccc1F)F 34a_100000742607_100000210314 [0,2,0,0,0,0|1,0,1]=4 19650 B17R1.269097 CCCCCCOC(C)c1c(cccc1F)F 7a_100000742607_100000210314 [0,2,0,0,0,0|1,0,1]=4 19651 B17R1.269097 CCCCCCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000210314 [0,2,0,0,0,0|1,0,1]=4 19652 B17R1.269097 CCCCCCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000210314 [0,2,0,0,0,0|1,0,1]=4 19653 B17R1.269097 CCCCCNCC(=O)c1c(cccc1Cl)Cl 2230a_100000209983_100012340516 [0,2,0,0,0,0|2,0,0]=4 19654 B17R1.269097 CCCCCNCC(=O)c1c(cccc1Cl)F 2230a_100000209983_100011219195 [0,2,0,0,0,0|2,0,0]=4 19655 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Br)Br 22a_100000694160_100000690891 [0,2,0,0,0,0|2,0,0]=4 19656 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Br)C 22a_100000694160_100000701904 [0,2,0,0,0,0|2,0,0]=4 19657 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Br)Cl 22a_100000694160_100011253703 [0,2,0,0,0,0|2,0,0]=4 19658 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Br)F 22a_100000694160_100000752694 [0,2,0,0,0,0|2,0,0]=4 19659 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Br)O 22a_100000694160_100011935254 [0,2,0,0,0,0|2,0,0]=4 19660 B17R1.269097 CCCCCNNC(=O)c1c(cccc1C)C 22a_100000694160_100000758298 [0,2,0,0,0,0|2,0,0]=4 19661 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Cl)C 22a_100000694160_100000692601 [0,2,0,0,0,0|2,0,0]=4 19662 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Cl)Cl 22a_100000694160_100000210656 [0,2,0,0,0,0|2,0,0]=4 19663 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Cl)F 22a_100000694160_100000210369 [0,2,0,0,0,0|2,0,0]=4 19664 B17R1.269097 CCCCCNNC(=O)c1c(cccc1Cl)O 22a_100000694160_100000745519 [0,2,0,0,0,0|2,0,0]=4 19665 B17R1.269097 CCCCCNNC(=O)c1c(cccc1F)C 22a_100000694160_100000762013 [0,2,0,0,0,0|2,0,0]=4 19666 B17R1.269097 CCCCCNNC(=O)c1c(cccc1F)F 22a_100000694160_100000210804 [0,2,0,0,0,0|2,0,0]=4 19667 B17R1.269097 CCCCCNNC(=O)c1c(cccc1F)O 22a_100000694160_100000763259 [0,2,0,0,0,0|2,0,0]=4 19668 B17R1.269097 CCCCCNNC(=O)c1c(cccc1I)Br 22a_100000694160_100010232521 [0,2,0,0,0,0|2,0,0]=4 19669 B17R1.269097 CCCCCNNC(=O)c1c(cccc1I)C 22a_100000694160_100000688020 [0,2,0,0,0,0|2,0,0]=4 19670 B17R1.269097 CCCCCNNC(=O)c1c(cccc1I)Cl 22a_100000694160_100000702859 [0,2,0,0,0,0|2,0,0]=4 19671 B17R1.269097 CCCCCNNC(=O)c1c(cccc1I)F 22a_100000694160_100000023732 [0,2,0,0,0,0|2,0,0]=4 19672 B17R1.269097 CCCCCNNC(=O)c1c(cccc1O)C 22a_100000694160_100011934116 [0,2,0,0,0,0|2,0,0]=4 19673 B17R1.269097 CCCCCOCC(=O)c1c(cccc1Cl)Cl 34a_100000210253_100012340516 [0,2,0,0,0,0|2,0,0]=4 19674 B17R1.269097 CCCCCOCC(=O)c1c(cccc1Cl)F 34a_100000210253_100011219195 [0,2,0,0,0,0|2,0,0]=4 19675 B17R1.269097 CCCCCOCC(=O)c1c(cccc1F)F 34a_100000210253_100000199083 [0,2,0,0,0,0|2,0,0]=4 19676 B17R1.269097 CCCCCSCC(=O)c1c(cccc1Cl)Cl 62a_100012340516_100000210326 [0,2,0,0,0,0|2,0,0]=4 19677 B17R1.269097 CCCCCSCC(=O)c1c(cccc1Cl)F 62a_100000210326_100011219195 [0,2,0,0,0,0|2,0,0]=4 19678 B17R1.269097 CCCCCSCC(=O)c1c(cccc1Cl)F 62a_100011219195_100000210326 [0,2,0,0,0,0|2,0,0]=4 19679 B17R1.269097 CCCCCSCC(=O)c1c(cccc1F)F 62a_100000199083_100000210326 [0,2,0,0,0,0|2,0,0]=4 19680 B17R1.269097 CCCCCSCC(=O)c1c(cccc1F)F 62a_100000210326_100000199083 [0,2,0,0,0,0|2,0,0]=4 19681 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Br)Br 1458a_100000690891_100000743108 [0,2,0,0,0,0|2,0,0]=4 19682 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Br)C 1458a_100000701904_100000743108 [0,2,0,0,0,0|2,0,0]=4 19683 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Br)Cl 1458a_100011253703_100000743108 [0,2,0,0,0,0|2,0,0]=4 19684 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Br)F 1458a_100000752694_100000743108 [0,2,0,0,0,0|2,0,0]=4 19685 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Br)O 1458a_100011935254_100000743108 [0,2,0,0,0,0|2,0,0]=4 19686 B17R1.269097 CCCCOCCC(=O)c1c(cccc1C)C 1458a_100000758298_100000743108 [0,2,0,0,0,0|2,0,0]=4 19687 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Cl)C 1458a_100000692601_100000743108 [0,2,0,0,0,0|2,0,0]=4 19688 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000743108 [0,2,0,0,0,0|2,0,0]=4 19689 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Cl)F 1458a_100000210369_100000743108 [0,2,0,0,0,0|2,0,0]=4 19690 B17R1.269097 CCCCOCCC(=O)c1c(cccc1Cl)O 1458a_100000745519_100000743108 [0,2,0,0,0,0|2,0,0]=4 19691 B17R1.269097 CCCCOCCC(=O)c1c(cccc1F)C 1458a_100000762013_100000743108 [0,2,0,0,0,0|2,0,0]=4 19692 B17R1.269097 CCCCOCCC(=O)c1c(cccc1F)F 1458a_100000210804_100000743108 [0,2,0,0,0,0|2,0,0]=4 19693 B17R1.269097 CCCCOCCC(=O)c1c(cccc1F)O 1458a_100000763259_100000743108 [0,2,0,0,0,0|2,0,0]=4 19694 B17R1.269097 CCCCOCCC(=O)c1c(cccc1I)Br 1458a_100010232521_100000743108 [0,2,0,0,0,0|2,0,0]=4 19695 B17R1.269097 CCCCOCCC(=O)c1c(cccc1I)C 1458a_100000688020_100000743108 [0,2,0,0,0,0|2,0,0]=4 19696 B17R1.269097 CCCCOCCC(=O)c1c(cccc1I)Cl 1458a_100000702859_100000743108 [0,2,0,0,0,0|2,0,0]=4 19697 B17R1.269097 CCCCOCCC(=O)c1c(cccc1I)F 1458a_100000023732_100000743108 [0,2,0,0,0,0|2,0,0]=4 19698 B17R1.269097 CCCCOCCC(=O)c1c(cccc1O)C 1458a_100011934116_100000743108 [0,2,0,0,0,0|2,0,0]=4 19699 B17R1.269097 CCCCOCCC(=O)c1c(cccc1O)O 1458a_100000755285_100000743108 [0,2,0,0,0,0|2,0,0]=4 19700 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)Br 1626a_100161115042_100000690891 [0,2,0,0,0,0|2,0,0]=4 19701 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)Br 240690a_100161115042_100000690891 [0,2,0,0,0,0|2,0,0]=4 19702 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)Br 527a_100161115042_100000690891 [0,2,0,0,0,0|2,0,0]=4 19703 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)C 1626a_100161115042_100000701904 [0,2,0,0,0,0|2,0,0]=4 19704 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)C 240690a_100161115042_100000701904 [0,2,0,0,0,0|2,0,0]=4 19705 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)C 527a_100161115042_100000701904 [0,2,0,0,0,0|2,0,0]=4 19706 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)Cl 1626a_100161115042_100011253703 [0,2,0,0,0,0|2,0,0]=4 19707 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)Cl 240690a_100161115042_100011253703 [0,2,0,0,0,0|2,0,0]=4 19708 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)Cl 527a_100161115042_100011253703 [0,2,0,0,0,0|2,0,0]=4 19709 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)F 1626a_100161115042_100000752694 [0,2,0,0,0,0|2,0,0]=4 19710 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)F 240690a_100161115042_100000752694 [0,2,0,0,0,0|2,0,0]=4 19711 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)F 527a_100161115042_100000752694 [0,2,0,0,0,0|2,0,0]=4 19712 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)O 240690a_100161115042_100011935254 [0,2,0,0,0,0|2,0,0]=4 19713 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Br)O 527a_100161115042_100011935254 [0,2,0,0,0,0|2,0,0]=4 19714 B17R1.269097 CCCOCCNC(=O)c1c(cccc1C)C 1626a_100161115042_100000758298 [0,2,0,0,0,0|2,0,0]=4 19715 B17R1.269097 CCCOCCNC(=O)c1c(cccc1C)C 240690a_100161115042_100000758298 [0,2,0,0,0,0|2,0,0]=4 19716 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)C 1626a_100161115042_100000692601 [0,2,0,0,0,0|2,0,0]=4 19717 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)C 240690a_100161115042_100000692601 [0,2,0,0,0,0|2,0,0]=4 19718 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)Cl 1626a_100161115042_100000210656 [0,2,0,0,0,0|2,0,0]=4 19719 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)Cl 240690a_100161115042_100000210656 [0,2,0,0,0,0|2,0,0]=4 19720 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)F 1626a_100161115042_100000210369 [0,2,0,0,0,0|2,0,0]=4 19721 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)F 240690a_100161115042_100000210369 [0,2,0,0,0,0|2,0,0]=4 19722 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)F 527a_100161115042_100000210369 [0,2,0,0,0,0|2,0,0]=4 19723 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)O 240690a_100161115042_100000745519 [0,2,0,0,0,0|2,0,0]=4 19724 B17R1.269097 CCCOCCNC(=O)c1c(cccc1Cl)O 527a_100161115042_100000745519 [0,2,0,0,0,0|2,0,0]=4 19725 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)C 1626a_100161115042_100000762013 [0,2,0,0,0,0|2,0,0]=4 19726 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)C 240690a_100161115042_100000762013 [0,2,0,0,0,0|2,0,0]=4 19727 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)C 527a_100161115042_100000762013 [0,2,0,0,0,0|2,0,0]=4 19728 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)F 1626a_100161115042_100000210804 [0,2,0,0,0,0|2,0,0]=4 19729 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)F 240690a_100161115042_100000210804 [0,2,0,0,0,0|2,0,0]=4 19730 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)F 527a_100161115042_100000210804 [0,2,0,0,0,0|2,0,0]=4 19731 B17R1.269097 CCCOCCNC(=O)c1c(cccc1F)O 527a_100161115042_100000763259 [0,2,0,0,0,0|2,0,0]=4 19732 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)Br 1626a_100161115042_100010232521 [0,2,0,0,0,0|2,0,0]=4 19733 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)Br 240690a_100161115042_100010232521 [0,2,0,0,0,0|2,0,0]=4 19734 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)Br 527a_100161115042_100010232521 [0,2,0,0,0,0|2,0,0]=4 19735 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)C 1626a_100161115042_100000688020 [0,2,0,0,0,0|2,0,0]=4 19736 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)C 240690a_100161115042_100000688020 [0,2,0,0,0,0|2,0,0]=4 19737 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)Cl 1626a_100161115042_100000702859 [0,2,0,0,0,0|2,0,0]=4 19738 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)Cl 240690a_100161115042_100000702859 [0,2,0,0,0,0|2,0,0]=4 19739 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)Cl 527a_100161115042_100000702859 [0,2,0,0,0,0|2,0,0]=4 19740 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)F 1626a_100161115042_100000023732 [0,2,0,0,0,0|2,0,0]=4 19741 B17R1.269097 CCCOCCNC(=O)c1c(cccc1I)F 240690a_100161115042_100000023732 [0,2,0,0,0,0|2,0,0]=4 19742 B17R1.269097 CCCOCCNC(=O)c1c(cccc1O)O 527a_100161115042_100000755285 [0,2,0,0,0,0|2,0,0]=4 19743 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)Br 11a_100020603323_100000690891 [0,2,0,0,0,0|2,0,0]=4 19744 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)Br 240690a_100020603323_100000690891 [0,2,0,0,0,0|2,0,0]=4 19745 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)Br 527a_100020603323_100000690891 [0,2,0,0,0,0|2,0,0]=4 19746 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)C 11a_100020603323_100000701904 [0,2,0,0,0,0|2,0,0]=4 19747 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)C 240690a_100020603323_100000701904 [0,2,0,0,0,0|2,0,0]=4 19748 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)C 527a_100020603323_100000701904 [0,2,0,0,0,0|2,0,0]=4 19749 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)Cl 11a_100020603323_100011253703 [0,2,0,0,0,0|2,0,0]=4 19750 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)Cl 240690a_100020603323_100011253703 [0,2,0,0,0,0|2,0,0]=4 19751 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)Cl 527a_100020603323_100011253703 [0,2,0,0,0,0|2,0,0]=4 19752 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)F 11a_100020603323_100000752694 [0,2,0,0,0,0|2,0,0]=4 19753 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)F 240690a_100020603323_100000752694 [0,2,0,0,0,0|2,0,0]=4 19754 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)F 527a_100020603323_100000752694 [0,2,0,0,0,0|2,0,0]=4 19755 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)O 240690a_100020603323_100011935254 [0,2,0,0,0,0|2,0,0]=4 19756 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Br)O 527a_100020603323_100011935254 [0,2,0,0,0,0|2,0,0]=4 19757 B17R1.269097 CCCSCCNC(=O)c1c(cccc1C)C 11a_100020603323_100000758298 [0,2,0,0,0,0|2,0,0]=4 19758 B17R1.269097 CCCSCCNC(=O)c1c(cccc1C)C 240690a_100020603323_100000758298 [0,2,0,0,0,0|2,0,0]=4 19759 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)C 11a_100020603323_100000692601 [0,2,0,0,0,0|2,0,0]=4 19760 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)C 240690a_100020603323_100000692601 [0,2,0,0,0,0|2,0,0]=4 19761 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)Cl 11a_100020603323_100000210656 [0,2,0,0,0,0|2,0,0]=4 19762 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)Cl 240690a_100020603323_100000210656 [0,2,0,0,0,0|2,0,0]=4 19763 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)F 11a_100020603323_100000210369 [0,2,0,0,0,0|2,0,0]=4 19764 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)F 240690a_100020603323_100000210369 [0,2,0,0,0,0|2,0,0]=4 19765 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)F 527a_100020603323_100000210369 [0,2,0,0,0,0|2,0,0]=4 19766 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)O 240690a_100020603323_100000745519 [0,2,0,0,0,0|2,0,0]=4 19767 B17R1.269097 CCCSCCNC(=O)c1c(cccc1Cl)O 527a_100020603323_100000745519 [0,2,0,0,0,0|2,0,0]=4 19768 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)C 11a_100020603323_100000762013 [0,2,0,0,0,0|2,0,0]=4 19769 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)C 240690a_100020603323_100000762013 [0,2,0,0,0,0|2,0,0]=4 19770 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)C 527a_100020603323_100000762013 [0,2,0,0,0,0|2,0,0]=4 19771 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)F 11a_100020603323_100000210804 [0,2,0,0,0,0|2,0,0]=4 19772 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)F 240690a_100020603323_100000210804 [0,2,0,0,0,0|2,0,0]=4 19773 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)F 527a_100020603323_100000210804 [0,2,0,0,0,0|2,0,0]=4 19774 B17R1.269097 CCCSCCNC(=O)c1c(cccc1F)O 527a_100020603323_100000763259 [0,2,0,0,0,0|2,0,0]=4 19775 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)Br 11a_100020603323_100010232521 [0,2,0,0,0,0|2,0,0]=4 19776 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)Br 240690a_100020603323_100010232521 [0,2,0,0,0,0|2,0,0]=4 19777 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)Br 527a_100020603323_100010232521 [0,2,0,0,0,0|2,0,0]=4 19778 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)C 11a_100020603323_100000688020 [0,2,0,0,0,0|2,0,0]=4 19779 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)C 240690a_100020603323_100000688020 [0,2,0,0,0,0|2,0,0]=4 19780 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)Cl 11a_100020603323_100000702859 [0,2,0,0,0,0|2,0,0]=4 19781 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)Cl 240690a_100020603323_100000702859 [0,2,0,0,0,0|2,0,0]=4 19782 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)Cl 527a_100020603323_100000702859 [0,2,0,0,0,0|2,0,0]=4 19783 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)F 11a_100020603323_100000023732 [0,2,0,0,0,0|2,0,0]=4 19784 B17R1.269097 CCCSCCNC(=O)c1c(cccc1I)F 240690a_100020603323_100000023732 [0,2,0,0,0,0|2,0,0]=4 19785 B17R1.269097 CCCSCCNC(=O)c1c(cccc1O)O 527a_100020603323_100000755285 [0,2,0,0,0,0|2,0,0]=4 19786 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Br 11a_100000210961_100000690891 [0,2,0,0,0,0|2,0,0]=4 19787 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Br 1626a_100000210961_100000690891 [0,2,0,0,0,0|2,0,0]=4 19788 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Br 240690a_100000210961_100000690891 [0,2,0,0,0,0|2,0,0]=4 19789 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Br 527a_100000210961_100000690891 [0,2,0,0,0,0|2,0,0]=4 19790 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)C 11a_100000210961_100000701904 [0,2,0,0,0,0|2,0,0]=4 19791 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)C 1626a_100000210961_100000701904 [0,2,0,0,0,0|2,0,0]=4 19792 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)C 240690a_100000210961_100000701904 [0,2,0,0,0,0|2,0,0]=4 19793 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)C 527a_100000210961_100000701904 [0,2,0,0,0,0|2,0,0]=4 19794 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Cl 11a_100000210961_100011253703 [0,2,0,0,0,0|2,0,0]=4 19795 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Cl 1626a_100000210961_100011253703 [0,2,0,0,0,0|2,0,0]=4 19796 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Cl 240690a_100000210961_100011253703 [0,2,0,0,0,0|2,0,0]=4 19797 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)Cl 527a_100000210961_100011253703 [0,2,0,0,0,0|2,0,0]=4 19798 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)F 11a_100000210961_100000752694 [0,2,0,0,0,0|2,0,0]=4 19799 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)F 1626a_100000210961_100000752694 [0,2,0,0,0,0|2,0,0]=4 19800 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)F 240690a_100000210961_100000752694 [0,2,0,0,0,0|2,0,0]=4 19801 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)F 527a_100000210961_100000752694 [0,2,0,0,0,0|2,0,0]=4 19802 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)O 240690a_100000210961_100011935254 [0,2,0,0,0,0|2,0,0]=4 19803 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Br)O 527a_100000210961_100011935254 [0,2,0,0,0,0|2,0,0]=4 19804 B17R1.269097 CCOCCCNC(=O)c1c(cccc1C)C 11a_100000210961_100000758298 [0,2,0,0,0,0|2,0,0]=4 19805 B17R1.269097 CCOCCCNC(=O)c1c(cccc1C)C 1626a_100000210961_100000758298 [0,2,0,0,0,0|2,0,0]=4 19806 B17R1.269097 CCOCCCNC(=O)c1c(cccc1C)C 240690a_100000210961_100000758298 [0,2,0,0,0,0|2,0,0]=4 19807 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)C 11a_100000210961_100000692601 [0,2,0,0,0,0|2,0,0]=4 19808 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)C 1626a_100000210961_100000692601 [0,2,0,0,0,0|2,0,0]=4 19809 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)C 240690a_100000210961_100000692601 [0,2,0,0,0,0|2,0,0]=4 19810 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)Cl 11a_100000210961_100000210656 [0,2,0,0,0,0|2,0,0]=4 19811 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)Cl 1626a_100000210961_100000210656 [0,2,0,0,0,0|2,0,0]=4 19812 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)Cl 240690a_100000210961_100000210656 [0,2,0,0,0,0|2,0,0]=4 19813 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)F 11a_100000210961_100000210369 [0,2,0,0,0,0|2,0,0]=4 19814 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)F 1626a_100000210961_100000210369 [0,2,0,0,0,0|2,0,0]=4 19815 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)F 240690a_100000210961_100000210369 [0,2,0,0,0,0|2,0,0]=4 19816 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)F 527a_100000210961_100000210369 [0,2,0,0,0,0|2,0,0]=4 19817 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)O 240690a_100000210961_100000745519 [0,2,0,0,0,0|2,0,0]=4 19818 B17R1.269097 CCOCCCNC(=O)c1c(cccc1Cl)O 527a_100000210961_100000745519 [0,2,0,0,0,0|2,0,0]=4 19819 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)C 11a_100000210961_100000762013 [0,2,0,0,0,0|2,0,0]=4 19820 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)C 1626a_100000210961_100000762013 [0,2,0,0,0,0|2,0,0]=4 19821 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)C 240690a_100000210961_100000762013 [0,2,0,0,0,0|2,0,0]=4 19822 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)C 527a_100000210961_100000762013 [0,2,0,0,0,0|2,0,0]=4 19823 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)F 11a_100000210961_100000210804 [0,2,0,0,0,0|2,0,0]=4 19824 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)F 1626a_100000210961_100000210804 [0,2,0,0,0,0|2,0,0]=4 19825 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)F 240690a_100000210961_100000210804 [0,2,0,0,0,0|2,0,0]=4 19826 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)F 527a_100000210961_100000210804 [0,2,0,0,0,0|2,0,0]=4 19827 B17R1.269097 CCOCCCNC(=O)c1c(cccc1F)O 527a_100000210961_100000763259 [0,2,0,0,0,0|2,0,0]=4 19828 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Br 11a_100000210961_100010232521 [0,2,0,0,0,0|2,0,0]=4 19829 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Br 1626a_100000210961_100010232521 [0,2,0,0,0,0|2,0,0]=4 19830 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Br 240690a_100000210961_100010232521 [0,2,0,0,0,0|2,0,0]=4 19831 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Br 527a_100000210961_100010232521 [0,2,0,0,0,0|2,0,0]=4 19832 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)C 11a_100000210961_100000688020 [0,2,0,0,0,0|2,0,0]=4 19833 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)C 1626a_100000210961_100000688020 [0,2,0,0,0,0|2,0,0]=4 19834 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)C 240690a_100000210961_100000688020 [0,2,0,0,0,0|2,0,0]=4 19835 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Cl 11a_100000210961_100000702859 [0,2,0,0,0,0|2,0,0]=4 19836 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Cl 1626a_100000210961_100000702859 [0,2,0,0,0,0|2,0,0]=4 19837 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Cl 240690a_100000210961_100000702859 [0,2,0,0,0,0|2,0,0]=4 19838 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)Cl 527a_100000210961_100000702859 [0,2,0,0,0,0|2,0,0]=4 19839 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)F 11a_100000210961_100000023732 [0,2,0,0,0,0|2,0,0]=4 19840 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)F 1626a_100000210961_100000023732 [0,2,0,0,0,0|2,0,0]=4 19841 B17R1.269097 CCOCCCNC(=O)c1c(cccc1I)F 240690a_100000210961_100000023732 [0,2,0,0,0,0|2,0,0]=4 19842 B17R1.269097 CCOCCCNC(=O)c1c(cccc1O)O 527a_100000210961_100000755285 [0,2,0,0,0,0|2,0,0]=4 19843 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCF)Br 1458a_100000701904_100015922095 [0,2,0,0,0,0|2,0,0]=4 19844 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCF)C 1458a_100000758298_100015922095 [0,2,0,0,0,0|2,0,0]=4 19845 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCF)Cl 1458a_100000692601_100015922095 [0,2,0,0,0,0|2,0,0]=4 19846 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCF)F 1458a_100000762013_100015922095 [0,2,0,0,0,0|2,0,0]=4 19847 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCF)I 1458a_100000688020_100015922095 [0,2,0,0,0,0|2,0,0]=4 19848 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCF)O 1458a_100011934116_100015922095 [0,2,0,0,0,0|2,0,0]=4 19849 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCO)Br 1458a_100000701904_100000766143 [0,2,0,0,0,0|2,0,0]=4 19850 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCO)C 1458a_100000758298_100000766143 [0,2,0,0,0,0|2,0,0]=4 19851 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCO)Cl 1458a_100000692601_100000766143 [0,2,0,0,0,0|2,0,0]=4 19852 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCO)F 1458a_100000762013_100000766143 [0,2,0,0,0,0|2,0,0]=4 19853 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCO)I 1458a_100000688020_100000766143 [0,2,0,0,0,0|2,0,0]=4 19854 B17R1.269097 Cc1cccc(c1C(=O)CCCCCCO)O 1458a_100011934116_100000766143 [0,2,0,0,0,0|2,0,0]=4 19855 B17R1.269097 Cc1cccc(c1C(=O)NCCCCCO)Br 240690a_100000762737_100000701904 [0,2,0,0,0,0|2,0,0]=4 19856 B17R1.269097 Cc1cccc(c1C(=O)NCCCCCO)C 240690a_100000762737_100000758298 [0,2,0,0,0,0|2,0,0]=4 19857 B17R1.269097 Cc1cccc(c1C(=O)NCCCCCO)Cl 240690a_100000762737_100000692601 [0,2,0,0,0,0|2,0,0]=4 19858 B17R1.269097 Cc1cccc(c1C(=O)NCCCCCO)F 240690a_100000762737_100000762013 [0,2,0,0,0,0|2,0,0]=4 19859 B17R1.269097 Cc1cccc(c1C(=O)NCCCCCO)I 240690a_100000762737_100000688020 [0,2,0,0,0,0|2,0,0]=4 19860 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Br)Br 1458a_100000690891_100015922095 [0,2,0,0,0,0|2,0,0]=4 19861 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Br)Cl 1458a_100011253703_100015922095 [0,2,0,0,0,0|2,0,0]=4 19862 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Br)F 1458a_100000752694_100015922095 [0,2,0,0,0,0|2,0,0]=4 19863 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Br)O 1458a_100011935254_100015922095 [0,2,0,0,0,0|2,0,0]=4 19864 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Cl)Cl 1458a_100000210656_100015922095 [0,2,0,0,0,0|2,0,0]=4 19865 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Cl)F 1458a_100000210369_100015922095 [0,2,0,0,0,0|2,0,0]=4 19866 B17R1.269097 O=C(CCCCCCF)c1c(cccc1Cl)O 1458a_100000745519_100015922095 [0,2,0,0,0,0|2,0,0]=4 19867 B17R1.269097 O=C(CCCCCCF)c1c(cccc1F)F 1458a_100000210804_100015922095 [0,2,0,0,0,0|2,0,0]=4 19868 B17R1.269097 O=C(CCCCCCF)c1c(cccc1F)O 1458a_100000763259_100015922095 [0,2,0,0,0,0|2,0,0]=4 19869 B17R1.269097 O=C(CCCCCCF)c1c(cccc1I)Br 1458a_100010232521_100015922095 [0,2,0,0,0,0|2,0,0]=4 19870 B17R1.269097 O=C(CCCCCCF)c1c(cccc1I)Cl 1458a_100000702859_100015922095 [0,2,0,0,0,0|2,0,0]=4 19871 B17R1.269097 O=C(CCCCCCF)c1c(cccc1I)F 1458a_100000023732_100015922095 [0,2,0,0,0,0|2,0,0]=4 19872 B17R1.269097 O=C(CCCCCCF)c1c(cccc1O)O 1458a_100000755285_100015922095 [0,2,0,0,0,0|2,0,0]=4 19873 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Br)Br 1458a_100000690891_100000766143 [0,2,0,0,0,0|2,0,0]=4 19874 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Br)Cl 1458a_100011253703_100000766143 [0,2,0,0,0,0|2,0,0]=4 19875 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Br)F 1458a_100000752694_100000766143 [0,2,0,0,0,0|2,0,0]=4 19876 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Br)O 1458a_100011935254_100000766143 [0,2,0,0,0,0|2,0,0]=4 19877 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Cl)Cl 1458a_100000210656_100000766143 [0,2,0,0,0,0|2,0,0]=4 19878 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Cl)F 1458a_100000210369_100000766143 [0,2,0,0,0,0|2,0,0]=4 19879 B17R1.269097 O=C(CCCCCCO)c1c(cccc1Cl)O 1458a_100000745519_100000766143 [0,2,0,0,0,0|2,0,0]=4 19880 B17R1.269097 O=C(CCCCCCO)c1c(cccc1F)F 1458a_100000210804_100000766143 [0,2,0,0,0,0|2,0,0]=4 19881 B17R1.269097 O=C(CCCCCCO)c1c(cccc1F)O 1458a_100000763259_100000766143 [0,2,0,0,0,0|2,0,0]=4 19882 B17R1.269097 O=C(CCCCCCO)c1c(cccc1I)Br 1458a_100010232521_100000766143 [0,2,0,0,0,0|2,0,0]=4 19883 B17R1.269097 O=C(CCCCCCO)c1c(cccc1I)Cl 1458a_100000702859_100000766143 [0,2,0,0,0,0|2,0,0]=4 19884 B17R1.269097 O=C(CCCCCCO)c1c(cccc1I)F 1458a_100000023732_100000766143 [0,2,0,0,0,0|2,0,0]=4 19885 B17R1.269097 O=C(CCCCCCO)c1c(cccc1O)O 1458a_100000755285_100000766143 [0,2,0,0,0,0|2,0,0]=4 19886 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Br)Br 240690a_100000762737_100000690891 [0,2,0,0,0,0|2,0,0]=4 19887 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Br)Cl 240690a_100000762737_100011253703 [0,2,0,0,0,0|2,0,0]=4 19888 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Br)F 240690a_100000762737_100000752694 [0,2,0,0,0,0|2,0,0]=4 19889 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Br)O 240690a_100000762737_100011935254 [0,2,0,0,0,0|2,0,0]=4 19890 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Cl)Cl 240690a_100000762737_100000210656 [0,2,0,0,0,0|2,0,0]=4 19891 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Cl)F 240690a_100000762737_100000210369 [0,2,0,0,0,0|2,0,0]=4 19892 B17R1.269097 O=C(NCCCCCO)c1c(cccc1Cl)O 240690a_100000762737_100000745519 [0,2,0,0,0,0|2,0,0]=4 19893 B17R1.269097 O=C(NCCCCCO)c1c(cccc1F)F 240690a_100000762737_100000210804 [0,2,0,0,0,0|2,0,0]=4 19894 B17R1.269097 O=C(NCCCCCO)c1c(cccc1I)Br 240690a_100000762737_100010232521 [0,2,0,0,0,0|2,0,0]=4 19895 B17R1.269097 O=C(NCCCCCO)c1c(cccc1I)Cl 240690a_100000762737_100000702859 [0,2,0,0,0,0|2,0,0]=4 19896 B17R1.269097 O=C(NCCCCCO)c1c(cccc1I)F 240690a_100000762737_100000023732 [0,2,0,0,0,0|2,0,0]=4 19897 B15R1.1045 C=Cc1ccccc1NCCCCCC 34a_100012022501_100000210314 [0,0,1,1,0,0|2,0,0]=4 19898 B15R1.1045 C=Cc1ccccc1SCCCCCC 62a_100000210314_100011218376 [0,0,1,1,0,0|1,1,0]=4 19899 B15R1.1045 C=Cc1ccccc1SCCCCCC 62a_100011218376_100000210757 [0,0,1,1,0,0|1,1,0]=4 19900 B15R1.12031 C=Cc1cccc(c1)NCCCCCC 34a_100011827668_100000210314 [0,0,1,1,0,0|2,0,0]=4 19901 B15R1.12031 C=Cc1cccc(c1)OCCCCCC 34a_100011309434_100000210314 [0,0,1,1,0,0|1,0,0]=3 19902 B15R1.12031 C=Cc1cccc(c1)OCCCCCC 7a_100011309434_100000210314 [0,0,1,1,0,0|1,0,0]=3 19903 B15R1.12031 C=Cc1cccc(c1)OCCCCCF 34a_100011309434_100000729378 [0,0,1,1,0,0|2,0,0]=4 19904 B15R1.12031 C=Cc1cccc(c1)OCCCCCF 7a_100011309434_100000729378 [0,0,1,1,0,0|2,0,0]=4 19905 B15R1.12031 C=Cc1cccc(c1)OCCCCCO 34a_100011309434_100000746330 [0,0,1,1,0,0|2,0,0]=4 19906 B15R1.12031 C=Cc1cccc(c1)OCCCCCO 7a_100011309434_100000746330 [0,0,1,1,0,0|2,0,0]=4 19907 B15R1.12031 C=Cc1cccc(c1)OCCCCOC 34a_100011309434_100000755781 [0,0,1,1,0,0|2,0,0]=4 19908 B15R1.12031 C=Cc1cccc(c1)OCCCCOC 7a_100011309434_100000730899 [0,0,1,1,0,0|2,0,0]=4 19909 B15R1.12031 C=Cc1cccc(c1)OCCCOCC 34a_100011309434_100012232248 [0,0,1,1,0,0|2,0,0]=4 19910 B15R1.12031 C=Cc1cccc(c1)OCCCOCC 7a_100011309434_100012232248 [0,0,1,1,0,0|2,0,0]=4 19911 B15R1.12031 C=Cc1cccc(c1)OCCOCCC 34a_100011309434_100011215938 [0,0,1,1,0,0|2,0,0]=4 19912 B15R1.12031 C=Cc1cccc(c1)OCCOCCC 7a_100011309434_100011215938 [0,0,1,1,0,0|2,0,0]=4 19913 B15R1.12031 C=Cc1cccc(c1)OCOCCCC 34a_100011309434_100011995733 [0,0,1,1,0,0|2,0,0]=4 19914 B15R1.12031 C=Cc1cccc(c1)SCCCCCC 62a_100000210314_100011215241 [0,0,1,1,0,0|1,1,0]=4 19915 B15R1.12031 C=Cc1cccc(c1)SCCCCCC 62a_100011215241_100000210757 [0,0,1,1,0,0|1,1,0]=4 19916 B15R1.52 CCCCCCOc1cccccc1=O 34a_100000036025_100000210314 [0,0,1,1,0,0|2,0,0]=4 19917 B15R1.52 CCCCCCOc1cccccc1=O 7a_100000036025_100000210314 [0,0,1,1,0,0|2,0,0]=4 19918 B15R2.395 CC1SCCN1C(=O)c2ccccc2 11a_200011216479_100000185807 [1,0,0,1,0,0|2,0,0]=4 19919 B15R2.395 CC1SCCN1C(=O)c2ccccc2 1626a_200011216479_100000185807 [1,0,0,1,0,0|2,0,0]=4 19920 B15R2.395 CC1SCCN1C(=O)c2ccccc2 240690a_200011216479_100000185807 [1,0,0,1,0,0|2,0,0]=4 19921 B15R2.395 CC1SCCN1C(=O)c2ccccc2 527a_200011216479_100000185807 [1,0,0,1,0,0|2,0,0]=4 19922 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 11a_100015189458_100000185807 [1,0,0,1,0,0|1,0,0]=3 19923 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 240690a_100015189458_100000185807 [1,0,0,1,0,0|1,0,0]=3 19924 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 527a_100015189458_100000185807 [1,0,0,1,0,0|1,0,0]=3 19925 B15R2.395 C[C@H]1CCCN1C(=O)c2ccccc2 240690a_100020605311_100000185807 [1,0,0,1,0,0|1,0,0]=3 19926 B15R2.395 C[C@H]1CCCN1C(=O)c2ccccc2 527a_100020605311_100000185807 [1,0,0,1,0,0|1,0,0]=3 19927 B15R2.395 O=C1CCCC1C(=O)c2ccccc2 1458a_100000185807_100000211823 [1,0,0,1,0,0|1,0,1]=4 19928 B15R2.1040 CC(OCC1CC1C)c2ccccc2 34a_100000744939_100000211855 [1,0,0,1,0,0|1,0,1]=4 19929 B15R2.1040 CC(OCC1CC1C)c2ccccc2 7a_100000744939_100000230085 [1,0,0,1,0,0|1,0,1]=4 19930 B15R2.1130 CC1CCN1CC(=O)c2ccccc2 269982a_100000755817_100000211460 [1,0,0,1,0,0|1,0,0]=3 19931 B15R2.1130 CC1CCN1CC(=O)c2ccccn2 269982a_100000755817_100000027445 [1,0,0,1,0,0|2,0,0]=4 19932 B15R2.1130 CC1CCN1CC(=O)c2ccccn2 34a_100000755817_100000027445 [1,0,0,1,0,0|2,0,0]=4 19933 B15R2.1130 CC1CCN1CC(=O)c2cccnc2 269982a_100000755817_100000757877 [1,0,0,1,0,0|2,0,0]=4 19934 B15R2.1130 CC1CCN1CC(=O)c2ccncc2 269982a_100000755817_100000027454 [1,0,0,1,0,0|2,0,0]=4 19935 B15R2.1130 CC1CCN1CS(=O)c2ccccc2 269982a_100000755817_100000031784 [1,0,0,1,0,0|2,0,0]=4 19936 B15R2.1259 CC(OC1CCCC1)c2ccccc2 34a_100000210269_100000211855 [1,0,0,1,0,0|1,0,1]=4 19937 B15R2.1259 CC(OC1CCCC1)c2ccccc2 7a_100000210269_100000230085 [1,0,0,1,0,0|1,0,1]=4 19938 B15R2.1259 CN(CC1CCCC1)c2ccccc2 2230a_100000210012_100000740388 [1,0,0,1,0,0|2,0,0]=4 19939 B15R2.1259 CN(CC1CCCC1)c2ccccc2 269982a_100000210012_100000740388 [1,0,0,1,0,0|2,0,0]=4 19940 B15R2.1259 CN(CC1CCCC1)c2ccccc2 34a_100000210012_100000740388 [1,0,0,1,0,0|2,0,0]=4 19941 B15R2.1259 C[C@@H](OC1CCCC1)c2ccccc2 34a_100000761318_100000179811 [1,0,0,1,0,0|1,0,1]=4 19942 B15R2.1259 C[C@@H](OC1CCCC1)c2ccccc2 7a_100000761318_100000179811 [1,0,0,1,0,0|1,0,1]=4 19943 B15R2.1259 O=C(CC1CCCC1)c2ccccc2 1458a_100000185807_100000740388 [1,0,0,1,0,0|0,0,0]=2 19944 B15R2.1259 O=C(CC1CCCO1)c2ccccc2 1458a_100000185807_100000203698 [1,0,0,1,0,0|1,0,0]=3 19945 B15R2.1259 O=C(CC1CCOC1)c2ccccc2 1458a_100000185807_100000702531 [1,0,0,1,0,0|1,0,0]=3 19946 B15R2.1259 O=C(CC1OCCO1)c2ccccc2 1458a_100000185807_100000755774 [1,0,0,1,0,0|2,0,0]=4 19947 B15R2.1259 O=C(CN1CCCC1)c2ccccc2 269982a_100000188435_100000211460 [1,0,0,1,0,0|1,0,0]=3 19948 B15R2.1259 O=C(CN1CCCC1)c2ccccn2 269982a_100000188435_100000027445 [1,0,0,1,0,0|2,0,0]=4 19949 B15R2.1259 O=C(CN1CCCC1)c2cccnc2 269982a_100000188435_100000757877 [1,0,0,1,0,0|2,0,0]=4 19950 B15R2.1259 O=C(CN1CCCC1)c2ccncc2 269982a_100000188435_100000027454 [1,0,0,1,0,0|2,0,0]=4 19951 B15R2.1259 O=C(CN1CCSC1)c2ccccc2 269982a_100011215254_100000211460 [1,0,0,1,0,0|2,0,0]=4 19952 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 11a_100000211070_100000185807 [1,0,0,1,0,0|1,0,0]=3 19953 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 1626a_100000211070_100000185807 [1,0,0,1,0,0|1,0,0]=3 19954 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 240690a_100000211070_100000185807 [1,0,0,1,0,0|1,0,0]=3 19955 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 527a_100000211070_100000185807 [1,0,0,1,0,0|1,0,0]=3 19956 B15R2.1259 O=C(N[C@@H]1CCOC1)c2ccccc2 240690a_200015188469_100000185807 [1,0,0,1,0,0|2,0,0]=4 19957 B15R2.1259 O=C(N[C@@H]1CCOC1)c2ccccc2 527a_200015188469_100000185807 [1,0,0,1,0,0|2,0,0]=4 19958 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 11a_100015188467_100000185807 [1,0,0,1,0,0|2,0,0]=4 19959 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 1626a_100015188467_100000185807 [1,0,0,1,0,0|2,0,0]=4 19960 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 240690a_100015188467_100000185807 [1,0,0,1,0,0|2,0,0]=4 19961 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 527a_100015188467_100000185807 [1,0,0,1,0,0|2,0,0]=4 19962 B15R2.1259 O=S(CN1CCCC1)c2ccccc2 269982a_100000188435_100000031784 [1,0,0,1,0,0|2,0,0]=4 19963 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100000210303_100010208147 [1,0,0,1,0,0|1,0,0]=3 19964 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210303 [1,0,0,1,0,0|1,0,0]=3 19965 B15R2.1428 CCCSC1OC(=O)c2c1cccc2 62a_100000210303_100009813457 [1,0,0,1,0,0|1,0,0]=3 19966 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100000766300_100010208147 [1,0,0,1,0,0|2,0,0]=4 19967 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100010208147_100000766300 [1,0,0,1,0,0|2,0,0]=4 19968 B15R2.1428 COCSC1OC(=O)c2c1cccc2 62a_100000766300_100009813457 [1,0,0,1,0,0|2,0,0]=4 19969 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100010208147_100011218213 [1,0,0,1,0,0|2,0,0]=4 19970 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100011218213_100010208147 [1,0,0,1,0,0|2,0,0]=4 19971 B15R2.1428 CSCSC1OC(=O)c2c1cccc2 62a_100011218213_100009813457 [1,0,0,1,0,0|2,0,0]=4 19972 B15R2.1428 O=C1CC(c2c1cccc2)NCCO 2230a_100016997473_100010208147 [1,0,0,1,0,0|2,0,0]=4 19973 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100010208147_100011217306 [1,0,0,1,0,0|2,0,0]=4 19974 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100011217306_100010208147 [1,0,0,1,0,0|2,0,0]=4 19975 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100000211926_100010208147 [1,0,0,1,0,0|2,0,0]=4 19976 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100010208147_100000211926 [1,0,0,1,0,0|2,0,0]=4 19977 B15R2.1428 O=C1OC(c2c1cccc2)NCCO 2230a_100016997473_100009813457 [1,0,0,1,0,0|2,0,0]=4 19978 B15R2.1428 O=C1OC(c2c1cccc2)SCCF 62a_100011217306_100009813457 [1,0,0,1,0,0|2,0,0]=4 19979 B15R2.1428 O=C1OC(c2c1cccc2)SCCO 62a_100000211926_100009813457 [1,0,0,1,0,0|2,0,0]=4 19980 B15R2.2226 CN(c1ccccc1)C2CCCCC2 2230a_100000181333_200000210301 [1,0,0,1,0,0|2,0,0]=4 19981 B15R2.2226 CN(c1ccccc1)C2CCCCC2 269982a_100000181333_200000210301 [1,0,0,1,0,0|2,0,0]=4 19982 B15R2.2226 CN(c1ccccc1)C2CCCCC2 269982a_100000210012_100000210327 [1,0,0,1,0,0|2,0,0]=4 19983 B15R2.2226 CN(c1ccccc1)C2CCCCC2 34a_100000181333_200000210301 [1,0,0,1,0,0|2,0,0]=4 19984 B15R2.2226 CN(c1ccccc1)C2CCCCC2 34a_100000210012_100000210327 [1,0,0,1,0,0|2,0,0]=4 19985 B15R2.2226 CN(c1ccccc1)C2CCCCC2 7a_100000181333_200000210301 [1,0,0,1,0,0|2,0,0]=4 19986 B15R2.2226 O=C(c1ccccc1)C2C=CCCC2 1458a_100000185807_100000751183 [1,0,0,1,0,0|0,0,2]=4 19987 B15R2.2226 O=C(c1ccccc1)C2CCCCC2 1458a_100000185807_100000210327 [1,0,0,1,0,0|0,0,0]=2 19988 B15R2.2226 O=C(c1ccccc1)C2CCCOC2 1458a_100000185807_100000693364 [1,0,0,1,0,0|1,0,0]=3 19989 B15R2.2226 O=C(c1ccccc1)C2CCOCC2 1458a_100000185807_100011324220 [1,0,0,1,0,0|1,0,0]=3 19990 B15R2.2226 O=C(c1ccccc1)N2CCCOC2 11a_100000131196_100000185807 [1,0,0,1,0,0|2,0,0]=4 19991 B15R2.2226 O=C(c1ccccc1)N2CCCOC2 240690a_100000131196_100000185807 [1,0,0,1,0,0|2,0,0]=4 19992 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 11a_100015191051_100000185807 [1,0,0,1,0,0|2,0,0]=4 19993 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 1626a_100015191051_100000185807 [1,0,0,1,0,0|2,0,0]=4 19994 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 240690a_100015191051_100000185807 [1,0,0,1,0,0|2,0,0]=4 19995 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 527a_100015191051_100000185807 [1,0,0,1,0,0|2,0,0]=4 19996 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 11a_100000737611_100000185807 [1,0,0,1,0,0|2,0,0]=4 19997 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 240690a_100000737611_100000185807 [1,0,0,1,0,0|2,0,0]=4 19998 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 527a_100000737611_100000185807 [1,0,0,1,0,0|2,0,0]=4 19999 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 2230a_100000181333_200025704644 [1,0,0,1,0,0|2,0,0]=4 20000 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 269982a_100000181333_200025704644 [1,0,0,1,0,0|2,0,0]=4 20001 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 34a_100000181333_200025704644 [1,0,0,1,0,0|2,0,0]=4 20002 B15R2.2226 [13CH3]N(c1ccccc1)C2CCCCC2 7a_100000181333_200025704644 [1,0,0,1,0,0|2,0,0]=4 20003 B15R2.4382 CCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210202 [1,0,0,1,0,0|1,0,0]=3 20004 B15R2.4382 O=C1CCC(c2c1cccc2)OCF 7a_100000100557_100015361967 [1,0,0,1,0,0|2,0,0]=4 20005 B15R2.16439 CC(OCC1CCC1)c2ccccc2 34a_100000760304_100000211855 [1,0,0,1,0,0|1,0,1]=4 20006 B15R2.16439 C[C@@H](OCC1CCC1)c2ccccc2 34a_100000761318_100000763275 [1,0,0,1,0,0|1,0,1]=4 20007 B15R2.16439 C[C@@H](OCC1CCC1)c2ccccc2 7a_100000761318_100000763275 [1,0,0,1,0,0|1,0,1]=4 20008 B15R2.16439 O=C(CCN1CCC1)c2ccccc2 269982a_100000754969_100000750707 [1,0,0,1,0,0|1,0,0]=3 20009 B15R2.16439 O=C(CNC1CCC1)c2ccccn2 34a_100000749019_100000027445 [1,0,0,1,0,0|2,0,0]=4 20010 B15R2.16439 O=C(COC1CCC1)c2ccccn2 34a_100000748187_100000027445 [1,0,0,1,0,0|2,0,0]=4 20011 B15R2.16439 O=C(COC1CSC1)c2ccccc2 7a_100000072292_100000211460 [1,0,0,1,0,0|2,0,0]=4 20012 B15R2.16439 O=C(CSC1CCC1)c2ccccc2 62a_100000211460_100000749161 [1,0,0,1,0,0|1,0,0]=3 20013 B15R2.16439 O=C(CSC1CCC1)c2ccccn2 62a_100000027445_100000749161 [1,0,0,1,0,0|2,0,0]=4 20014 B15R2.16439 O=C(CSC1CCC1)c2cccnc2 62a_100000757877_100000749161 [1,0,0,1,0,0|2,0,0]=4 20015 B15R2.16439 O=C(CSC1CCC1)c2ccncc2 62a_100000027454_100000749161 [1,0,0,1,0,0|2,0,0]=4 20016 B15R2.16439 O=C(CSC1COC1)c2ccccc2 62a_100000211460_100009818527 [1,0,0,1,0,0|2,0,0]=4 20017 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 11a_100000738700_100000185807 [1,0,0,1,0,0|1,0,0]=3 20018 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 1626a_100000738700_100000185807 [1,0,0,1,0,0|1,0,0]=3 20019 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 240690a_100000738700_100000185807 [1,0,0,1,0,0|1,0,0]=3 20020 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 527a_100000738700_100000185807 [1,0,0,1,0,0|1,0,0]=3 20021 B15R2.16439 O=C(NCC1COC1)c2ccccc2 11a_100015281925_100000185807 [1,0,0,1,0,0|2,0,0]=4 20022 B15R2.16439 O=C(NCC1COC1)c2ccccc2 1626a_100015281925_100000185807 [1,0,0,1,0,0|2,0,0]=4 20023 B15R2.16439 O=C(NCC1COC1)c2ccccc2 240690a_100015281925_100000185807 [1,0,0,1,0,0|2,0,0]=4 20024 B15R2.16439 O=C(NCC1COC1)c2ccccc2 527a_100015281925_100000185807 [1,0,0,1,0,0|2,0,0]=4 20025 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 11a_100020831831_100000185807 [1,0,0,1,0,0|2,0,0]=4 20026 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 1626a_100020831831_100000185807 [1,0,0,1,0,0|2,0,0]=4 20027 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 240690a_100020831831_100000185807 [1,0,0,1,0,0|2,0,0]=4 20028 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 527a_100020831831_100000185807 [1,0,0,1,0,0|2,0,0]=4 20029 B15R2.16439 O=C(NNC1CCC1)c2ccccc2 22a_100000736358_100000185807 [1,0,0,1,0,0|2,0,0]=4 20030 B15R2.16439 O=C(OCN1CCC1)c2ccccc2 269982a_100000754969_100000073877 [1,0,0,1,0,0|1,0,0]=3 20031 B15R2.16439 O=S(CCN1CCC1)c2ccccc2 269982a_100000754969_100000740319 [1,0,0,1,0,0|2,0,0]=4 20032 B15R2.16442 CC(OCCC1CC1)c2ccccc2 34a_100000754188_100000211855 [1,0,0,1,0,0|1,0,1]=4 20033 B15R2.16442 CC(OCCC1CC1)c2ccccc2 7a_100000754188_100000230085 [1,0,0,1,0,0|1,0,1]=4 20034 B15R2.16442 C[C@@H](OCCC1CC1)c2ccccc2 34a_100000761318_100000694398 [1,0,0,1,0,0|1,0,1]=4 20035 B15R2.16442 C[C@@H](OCCC1CC1)c2ccccc2 7a_100000761318_100000764125 [1,0,0,1,0,0|1,0,1]=4 20036 B15R2.16442 O=C(CC#CC1CC1)c2ccccc2 1458a_100000185807_100009895102 [1,0,0,1,0,0|0,0,2]=4 20037 B15R2.16442 O=C(CCCC1CO1)c2ccccc2 1458a_100000185807_100000733510 [1,0,0,1,0,0|1,0,0]=3 20038 B15R2.16442 O=C(CCSC1CC1)c2ccccc2 62a_100000750707_100000211595 [1,0,0,1,0,0|1,0,0]=3 20039 B15R2.16442 O=C(CNCC1CC1)c2ccccn2 34a_100000735609_100000027445 [1,0,0,1,0,0|2,0,0]=4 20040 B15R2.16442 O=C(COCC1CC1)c2ccccn2 34a_100000211283_100000027445 [1,0,0,1,0,0|2,0,0]=4 20041 B15R2.16442 O=C(CSCC1CC1)c2ccccc2 62a_100000211460_100000742324 [1,0,0,1,0,0|1,0,0]=3 20042 B15R2.16442 O=C(CSCC1CC1)c2ccccc2 62a_100000756562_100000211460 [1,0,0,1,0,0|1,0,0]=3 20043 B15R2.16442 O=C(CSCC1CC1)c2ccccn2 62a_100000027445_100000742324 [1,0,0,1,0,0|2,0,0]=4 20044 B15R2.16442 O=C(CSCC1CC1)c2ccccn2 62a_100000756562_100000027445 [1,0,0,1,0,0|2,0,0]=4 20045 B15R2.16442 O=C(CSCC1CC1)c2cccnc2 62a_100000756562_100000757877 [1,0,0,1,0,0|2,0,0]=4 20046 B15R2.16442 O=C(CSCC1CC1)c2cccnc2 62a_100000757877_100000742324 [1,0,0,1,0,0|2,0,0]=4 20047 B15R2.16442 O=C(CSCC1CC1)c2ccncc2 62a_100000027454_100000742324 [1,0,0,1,0,0|2,0,0]=4 20048 B15R2.16442 O=C(CSCC1CC1)c2ccncc2 62a_100000756562_100000027454 [1,0,0,1,0,0|2,0,0]=4 20049 B15R2.16442 O=C(CSCC1CO1)c2ccccc2 62a_100000211460_102125554688 [1,0,0,1,0,0|2,0,0]=4 20050 B15R2.16442 O=C(CSCC1CO1)c2ccccc2 62a_102125554688_100000211460 [1,0,0,1,0,0|2,0,0]=4 20051 B15R2.16442 O=C(CSCC1CS1)c2ccccc2 62a_100000031435_100000211460 [1,0,0,1,0,0|2,0,0]=4 20052 B15R2.16442 O=C(CSCC1CS1)c2ccccc2 62a_100000211460_100000031435 [1,0,0,1,0,0|2,0,0]=4 20053 B15R2.16442 O=C(CSC[C@@H]1CO1)c2ccccc2 62a_100000211460_100000745022 [1,0,0,1,0,0|2,0,0]=4 20054 B15R2.16442 O=C(CSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000211460 [1,0,0,1,0,0|2,0,0]=4 20055 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 1626a_100000764129_100000185807 [1,0,0,1,0,0|1,0,0]=3 20056 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 240690a_100000764129_100000185807 [1,0,0,1,0,0|1,0,0]=3 20057 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 527a_100000764129_100000185807 [1,0,0,1,0,0|1,0,0]=3 20058 B15R2.16442 O=C(NNCC1CC1)c2ccccc2 22a_100000736359_100000185807 [1,0,0,1,0,0|2,0,0]=4 20059 B15R2.16442 O=C(OCSC1CC1)c2ccccc2 62a_100000073877_100000211595 [1,0,0,1,0,0|1,0,0]=3 20060 B15R2.16442 O=S(CSCC1CC1)c2ccccc2 62a_100000756562_100000031784 [1,0,0,1,0,0|2,0,0]=4 20061 B15R2.71393 CCCCCOC1Cc2c1cccc2 7a_100000210253_100009813401 [1,0,0,1,0,0|1,0,1]=4 20062 B15R2.38 CC1CCCCN1Cc2ccccc2 2230a_100000211376_100015291786 [1,0,0,1,0,0|1,0,1]=4 20063 B15R2.38 CC1CCCCN1Cc2ccccc2 269982a_100000211376_100000211182 [1,0,0,1,0,0|1,0,1]=4 20064 B15R2.38 CC1CCCCN1Cc2ccccc2 270004a_100000211376_100015611070 [1,0,0,1,0,0|1,0,1]=4 20065 B15R2.38 CC1CCCCN1Cc2ccccc2 34a_100000211376_100015291786 [1,0,0,1,0,0|1,0,1]=4 20066 B15R2.55 CC1CCCC1NCc2ccccc2 269862a_100015324214_100000752053 [1,0,0,1,0,0|1,0,1]=4 20067 B15R2.55 CC1CCCC1OCc2ccccc2 34a_100011216460_100015291786 [1,0,0,1,0,0|0,0,1]=3 20068 B15R2.55 CC1CCCC1OCc2ccccc2 7a_100011216460_100000211182 [1,0,0,1,0,0|0,0,1]=3 20069 B15R2.55 CC1CCCC1OCc2ccccn2 34a_100011216460_100000721315 [1,0,0,1,0,0|1,0,1]=4 20070 B15R2.55 CC1CCCC1OCc2ccccn2 7a_100011216460_100000721315 [1,0,0,1,0,0|1,0,1]=4 20071 B15R2.55 CC1CCCC1OCc2cccnc2 34a_100011216460_100000733263 [1,0,0,1,0,0|1,0,1]=4 20072 B15R2.55 CC1CCCC1OCc2cccnc2 7a_100011216460_100000741622 [1,0,0,1,0,0|1,0,1]=4 20073 B15R2.55 CC1CCCC1OCc2ccncc2 7a_100011216460_100015193705 [1,0,0,1,0,0|1,0,1]=4 20074 B15R2.55 C[C@@H]1CNC[C@@H]1OCc2ccccc2 34a_200015306588_100015291786 [1,0,0,1,0,0|1,0,1]=4 20075 B15R2.55 Cl[C@@H]1CCC[C@H]1OCc2ccccc2 34a_200016002552_100015291786 [1,0,0,1,0,0|1,0,1]=4 20076 B15R2.55 N[C@H]1CCC[C@@H]1OCc2ccccc2 34a_100000748460_100015291786 [1,0,0,1,0,0|1,0,1]=4 20077 B15R2.118 CCC1CCCN1Cc2ccccc2 2230a_100000754278_100015291786 [1,0,0,1,0,0|1,0,1]=4 20078 B15R2.118 CCC1CCCN1Cc2ccccc2 269982a_100000754278_100000211182 [1,0,0,1,0,0|1,0,1]=4 20079 B15R2.118 CCC1CCCN1Cc2ccccc2 270004a_100000754278_100015611070 [1,0,0,1,0,0|1,0,1]=4 20080 B15R2.118 CCC1CCCN1Cc2ccccc2 34a_100000754278_100015291786 [1,0,0,1,0,0|1,0,1]=4 20081 B15R2.342 CC1CCN1C/C=C/c2ccccc2 269982a_100000755817_100016265936 [1,0,0,1,0,0|2,0,0]=4 20082 B15R2.342 CC1CCN1C/C=C/c2ccccc2 34a_100000755817_100016265936 [1,0,0,1,0,0|2,0,0]=4 20083 B15R2.342 CC1CCN1COCc2ccccc2 34a_100000755817_100000763385 [1,0,0,1,0,0|1,0,1]=4 20084 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 2230a_100000185865_100015291786 [1,0,0,1,0,0|1,0,1]=4 20085 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 269982a_100000185865_100000211182 [1,0,0,1,0,0|1,0,1]=4 20086 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 270004a_100000185865_100015611070 [1,0,0,1,0,0|1,0,1]=4 20087 B15R2.2167 c1ccc(cc1)CN2CCCCCC2 34a_100000185865_100015291786 [1,0,0,1,0,0|1,0,1]=4 20088 B15R2.2167 c1ccc(cc1)NC2CCCCCC2 34a_100000106764_100011217769 [1,0,0,1,0,0|2,0,0]=4 20089 B15R2.2167 c1ccc(cc1)OC2CCCCCC2 34a_100000210340_100011217769 [1,0,0,1,0,0|2,0,0]=4 20090 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100000719477_100011217769 [1,0,0,1,0,0|2,0,0]=4 20091 B15R2.2167 c1ccc(cc1)SC2CCCCCC2 62a_100011217769_100000041952 [1,0,0,1,0,0|2,0,0]=4 20092 B15R2.2195 C(=CC1CCCCC1)c2ccccc2 271570a_100016283615_100000210277 [1,0,0,1,0,0|1,0,0]=3 20093 B15R2.2195 C(=CC1CCCCC1)c2ccccn2 271570a_100016283615_100011216584 [1,0,0,1,0,0|2,0,0]=4 20094 B15R2.2195 C(=CC1CCCCC1)c2cccnc2 271570a_100016283615_100000752921 [1,0,0,1,0,0|2,0,0]=4 20095 B15R2.2195 C(=CC1CCCCC1)c2ccncc2 271570a_100016283615_100000035832 [1,0,0,1,0,0|2,0,0]=4 20096 B15R2.2195 c1cc(ccn1)COC2CCCCC2 7a_100000210231_100015193705 [1,0,0,1,0,0|1,0,1]=4 20097 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 207a_100000182618_100015611070 [1,0,0,1,0,0|1,0,1]=4 20098 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 2230a_100000182618_100015291786 [1,0,0,1,0,0|1,0,1]=4 20099 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 270004a_100000182618_100015611070 [1,0,0,1,0,0|1,0,1]=4 20100 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 270004a_100015324214_100000210434 [1,0,0,1,0,0|1,0,1]=4 20101 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 34a_100000182618_100015291786 [1,0,0,1,0,0|1,0,1]=4 20102 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 34a_100015324214_100000210327 [1,0,0,1,0,0|1,0,1]=4 20103 B15R2.2195 c1ccc(cc1)COC2CCCCC2 34a_100000210231_100015291786 [1,0,0,1,0,0|0,0,1]=3 20104 B15R2.2195 c1ccc(cc1)COC2CCCCC2 34a_100000210790_100000210327 [1,0,0,1,0,0|0,0,1]=3 20105 B15R2.2195 c1ccc(cc1)COC2CCCCC2 7a_100000210231_100000211182 [1,0,0,1,0,0|0,0,1]=3 20106 B15R2.2195 c1ccc(cc1)COC2CCCCC2 7a_100000210790_100000210327 [1,0,0,1,0,0|0,0,1]=3 20107 B15R2.2195 c1ccc(cc1)COC2CCCCO2 34a_100000033831_100015291786 [1,0,0,1,0,0|1,0,1]=4 20108 B15R2.2195 c1ccc(cc1)COC2CCCOC2 34a_100000210790_100000693364 [1,0,0,1,0,0|1,0,1]=4 20109 B15R2.2195 c1ccc(cc1)COC2CCCOC2 34a_100000754041_100015291786 [1,0,0,1,0,0|1,0,1]=4 20110 B15R2.2195 c1ccc(cc1)COC2CCCOC2 7a_100000210790_100000693364 [1,0,0,1,0,0|1,0,1]=4 20111 B15R2.2195 c1ccc(cc1)COC2CCCSC2 7a_100015962668_100000211182 [1,0,0,1,0,0|1,0,1]=4 20112 B15R2.2195 c1ccc(cc1)COC2CCOCC2 34a_100000744328_100015291786 [1,0,0,1,0,0|1,0,1]=4 20113 B15R2.2195 c1ccc(cc1)COC2CCOCC2 7a_100000210790_100000686592 [1,0,0,1,0,0|1,0,1]=4 20114 B15R2.2195 c1ccc(cc1)COC2CCSCC2 34a_100000210790_100000069128 [1,0,0,1,0,0|1,0,1]=4 20115 B15R2.2195 c1ccc(cc1)COC2CCSCC2 34a_100000731022_100015291786 [1,0,0,1,0,0|1,0,1]=4 20116 B15R2.2195 c1ccc(cc1)COC2CCSCC2 7a_100000210790_100011500858 [1,0,0,1,0,0|1,0,1]=4 20117 B15R2.2195 c1ccc(cc1)COC2CCSCC2 7a_100000731022_100000211182 [1,0,0,1,0,0|1,0,1]=4 20118 B15R2.2195 c1ccc(cc1)CSC2CCCCC2 62a_100000210327_100015291786 [1,0,0,1,0,0|0,1,1]=4 20119 B15R2.2195 c1ccc(cc1)CSC2CCCCC2 62a_100000211182_100000210327 [1,0,0,1,0,0|0,1,1]=4 20120 B15R2.2195 c1ccc(cc1)NCC2CCCCC2 34a_100000106764_100000211423 [1,0,0,1,0,0|2,0,0]=4 20121 B15R2.2195 c1ccc(cc1)OCC2CCCCC2 34a_100000210340_100000211423 [1,0,0,1,0,0|2,0,0]=4 20122 B15R2.2195 c1ccc(cc1)OCC2CCCCC2 7a_100000210340_100000211423 [1,0,0,1,0,0|2,0,0]=4 20123 B15R2.2195 c1ccc(cc1)SCC2CCCCC2 62a_100000211423_100000041952 [1,0,0,1,0,0|2,0,0]=4 20124 B15R2.2195 c1ccc(cc1)SCC2CCCCC2 62a_100000719477_100000211423 [1,0,0,1,0,0|2,0,0]=4 20125 B15R2.2195 c1ccc(nc1)COC2CCCCC2 34a_100000210231_100000721315 [1,0,0,1,0,0|1,0,1]=4 20126 B15R2.2195 c1ccc(nc1)COC2CCCCC2 7a_100000210231_100000721315 [1,0,0,1,0,0|1,0,1]=4 20127 B15R2.2195 c1cncc(c1)COC2CCCCC2 34a_100000210231_100000733263 [1,0,0,1,0,0|1,0,1]=4 20128 B15R2.2195 c1cncc(c1)COC2CCCCC2 7a_100000210231_100000741622 [1,0,0,1,0,0|1,0,1]=4 20129 B15R2.2196 C(#Cc1ccccc1)CC2CCCC2 271570a_200010126907_100000210277 [1,0,0,1,0,0|1,0,1]=4 20130 B15R2.2196 C(=C/c1ccccc1)\CN2CCCC2 2230a_100000188435_100016265936 [1,0,0,1,0,0|2,0,0]=4 20131 B15R2.2196 C(=C/c1ccccc1)\CN2CCCC2 269982a_100000188435_100016265936 [1,0,0,1,0,0|2,0,0]=4 20132 B15R2.2196 C(=Cc1ccccc1)CC2CCCC2 271570a_200000069456_100000210277 [1,0,0,1,0,0|1,0,0]=3 20133 B15R2.2196 C(=Cc1ccccc1)CN2CCCC2 270004a_100000188435_100000210105 [1,0,0,1,0,0|2,0,0]=4 20134 B15R2.2196 C(=Cc1ccccn1)CC2CCCC2 271570a_200000069456_100011216584 [1,0,0,1,0,0|2,0,0]=4 20135 B15R2.2196 C(=Cc1cccnc1)CC2CCCC2 271570a_200000069456_100000752921 [1,0,0,1,0,0|2,0,0]=4 20136 B15R2.2196 C(=Cc1ccncc1)CC2CCCC2 271570a_200000069456_100000035832 [1,0,0,1,0,0|2,0,0]=4 20137 B15R2.2196 C(=NNC1CCCC1)c2ccccc2 4a_100000737850_100015611070 [1,0,0,1,0,0|2,0,0]=4 20138 B15R2.2196 c1cc(ccn1)COCC2CCCC2 7a_100000742336_100015193705 [1,0,0,1,0,0|1,0,1]=4 20139 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 207a_100000737975_100015611070 [1,0,0,1,0,0|1,0,1]=4 20140 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 2230a_100000737975_100015291786 [1,0,0,1,0,0|1,0,1]=4 20141 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 2230a_100015324214_100000740388 [1,0,0,1,0,0|1,0,1]=4 20142 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 269862a_100015324214_100000746403 [1,0,0,1,0,0|1,0,1]=4 20143 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 270004a_100000737975_100015611070 [1,0,0,1,0,0|1,0,1]=4 20144 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 34a_100000737975_100015291786 [1,0,0,1,0,0|1,0,1]=4 20145 B15R2.2196 c1ccc(cc1)CNCC2CCCC2 34a_100015324214_100000740388 [1,0,0,1,0,0|1,0,1]=4 20146 B15R2.2196 c1ccc(cc1)COCC2CCCC2 34a_100000210790_100000740388 [1,0,0,1,0,0|0,0,1]=3 20147 B15R2.2196 c1ccc(cc1)COCC2CCCC2 34a_100000742336_100015291786 [1,0,0,1,0,0|0,0,1]=3 20148 B15R2.2196 c1ccc(cc1)COCC2CCCC2 7a_100000210790_100000740388 [1,0,0,1,0,0|0,0,1]=3 20149 B15R2.2196 c1ccc(cc1)COCC2CCCC2 7a_100000742336_100000211182 [1,0,0,1,0,0|0,0,1]=3 20150 B15R2.2196 c1ccc(cc1)COCC2CCCO2 34a_100000210270_100015291786 [1,0,0,1,0,0|1,0,1]=4 20151 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210270_100000211182 [1,0,0,1,0,0|1,0,1]=4 20152 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210790_100000203698 [1,0,0,1,0,0|1,0,1]=4 20153 B15R2.2196 c1ccc(cc1)COCC2CCNC2 34a_100000748654_100015291786 [1,0,0,1,0,0|1,0,1]=4 20154 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000210790_100011261433 [1,0,0,1,0,0|1,0,1]=4 20155 B15R2.2196 c1ccc(cc1)COCC2CCOC2 34a_100000740260_100015291786 [1,0,0,1,0,0|1,0,1]=4 20156 B15R2.2196 c1ccc(cc1)COCC2CCOC2 7a_100000210790_100000702531 [1,0,0,1,0,0|1,0,1]=4 20157 B15R2.2196 c1ccc(cc1)COCN2CCCC2 2230a_100000188435_100000763385 [1,0,0,1,0,0|1,0,1]=4 20158 B15R2.2196 c1ccc(cc1)COC[C@H]2CCCN2 34a_100000745186_100015291786 [1,0,0,1,0,0|1,0,1]=4 20159 B15R2.2196 c1ccc(cc1)CSCC2CCCC2 62a_100000211182_100000740388 [1,0,0,1,0,0|0,1,1]=4 20160 B15R2.2196 c1ccc(cc1)CSCC2CCCC2 62a_100000740388_100015291786 [1,0,0,1,0,0|0,1,1]=4 20161 B15R2.2196 c1ccc(cc1)NCCC2CCCC2 34a_100000106764_100000760354 [1,0,0,1,0,0|2,0,0]=4 20162 B15R2.2196 c1ccc(cc1)OCCC2CCCC2 34a_100000210340_100000760354 [1,0,0,1,0,0|2,0,0]=4 20163 B15R2.2196 c1ccc(cc1)OCCC2CCCC2 7a_100000210340_100000760354 [1,0,0,1,0,0|2,0,0]=4 20164 B15R2.2196 c1ccc(cc1)SCCC2CCCC2 62a_100000719477_100000760354 [1,0,0,1,0,0|2,0,0]=4 20165 B15R2.2196 c1ccc(cc1)SCCC2CCCC2 62a_100000760354_100000041952 [1,0,0,1,0,0|2,0,0]=4 20166 B15R2.2196 c1ccc(nc1)COCC2CCCC2 34a_100000742336_100000721315 [1,0,0,1,0,0|1,0,1]=4 20167 B15R2.2196 c1ccc(nc1)COCC2CCCC2 7a_100000742336_100000721315 [1,0,0,1,0,0|1,0,1]=4 20168 B15R2.2196 c1cncc(c1)COCC2CCCC2 34a_100000742336_100000733263 [1,0,0,1,0,0|1,0,1]=4 20169 B15R2.2196 c1cncc(c1)COCC2CCCC2 7a_100000742336_100000741622 [1,0,0,1,0,0|1,0,1]=4 20170 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 2230a_100000735609_100016265936 [1,0,0,1,0,0|2,0,0]=4 20171 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 2230a_100020603302_100000742324 [1,0,0,1,0,0|2,0,0]=4 20172 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 34a_100000735609_100016265936 [1,0,0,1,0,0|2,0,0]=4 20173 B15R2.4226 C(=C/c1ccccc1)\CNCC2CC2 34a_100020603302_100000742324 [1,0,0,1,0,0|2,0,0]=4 20174 B15R2.4226 C(=C/c1ccccc1)\COCC2CC2 34a_100000210256_100000742324 [1,0,0,1,0,0|2,0,0]=4 20175 B15R2.4226 C(=C/c1ccccc1)\COCC2CC2 34a_100000211283_100016265936 [1,0,0,1,0,0|2,0,0]=4 20176 B15R2.4226 C(=C/c1ccccc1)\CSCC2CC2 62a_100000756562_100016265936 [1,0,0,1,0,0|2,0,0]=4 20177 B15R2.4226 C(=C/c1ccccc1)\CSCC2CC2 62a_100016265936_100000742324 [1,0,0,1,0,0|2,0,0]=4 20178 B15R2.4226 C(=Cc1ccccc1)CNCC2CC2 270004a_100000735609_100000210105 [1,0,0,1,0,0|2,0,0]=4 20179 B15R2.4226 c1ccc(cc1)COCCCC2CO2 34a_100000210790_100000733510 [1,0,0,1,0,0|1,0,1]=4 20180 B15R2.4226 c1ccc(cc1)COCCCC2CO2 7a_100000210790_100000733510 [1,0,0,1,0,0|1,0,1]=4 20181 B15R2.4226 c1ccc(cc1)COCCNC2CC2 34a_100000212008_100000234347 [1,0,0,1,0,0|1,0,1]=4 20182 B15R2.4226 c1ccc(cc1)COCCNC2CC2 34a_100000738766_100015291786 [1,0,0,1,0,0|1,0,1]=4 20183 B15R2.4226 c1ccc(cc1)COCCNC2CC2 34a_100000753106_100000211595 [1,0,0,1,0,0|1,0,1]=4 20184 B15R2.4226 c1ccc(cc1)COCCOC2CC2 34a_100000759325_100000211595 [1,0,0,1,0,0|1,0,1]=4 20185 B15R2.4226 c1ccc(cc1)COCCSC2CC2 62a_100000234347_100000211595 [1,0,0,1,0,0|1,0,1]=4 20186 B15R2.4226 c1ccc(cc1)COCNCC2CC2 2230a_100000735609_100000763385 [1,0,0,1,0,0|1,0,1]=4 20187 B15R2.4226 c1ccc(cc1)COCNCC2CC2 34a_100000735609_100000763385 [1,0,0,1,0,0|1,0,1]=4 20188 B15R2.4226 c1ccc(cc1)COCOCC2CC2 34a_100000211283_100000763385 [1,0,0,1,0,0|1,0,1]=4 20189 B15R2.4226 c1ccc(cc1)COCSCC2CC2 62a_100000756562_100000763385 [1,0,0,1,0,0|1,0,1]=4 20190 B15R2.4226 c1ccc(cc1)COCSCC2CC2 62a_100000763385_100000742324 [1,0,0,1,0,0|1,0,1]=4 20191 B15R2.18471 CCCNC1COCc2c1cccc2 269862a_100020643023_100000117393 [1,0,0,1,0,0|1,0,1]=4 20192 B15R2.18471 CCCOC1COCc2c1cccc2 34a_100012179175_100000210303 [1,0,0,1,0,0|1,0,1]=4 20193 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 2230a_100000749019_100016265936 [1,0,0,1,0,0|2,0,0]=4 20194 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 270004a_100020603302_100000241760 [1,0,0,1,0,0|2,0,0]=4 20195 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100000749019_100016265936 [1,0,0,1,0,0|2,0,0]=4 20196 B15R2.27836 C(=C/c1ccccc1)\CNC2CCC2 34a_100020603302_100000749161 [1,0,0,1,0,0|2,0,0]=4 20197 B15R2.27836 C(=C/c1ccccc1)\COC2CCC2 34a_100000210256_100000749161 [1,0,0,1,0,0|2,0,0]=4 20198 B15R2.27836 C(=C/c1ccccc1)\COC2CCC2 34a_100000748187_100016265936 [1,0,0,1,0,0|2,0,0]=4 20199 B15R2.27836 C(=C/c1ccccc1)\CSC2CCC2 62a_100016265936_100000749161 [1,0,0,1,0,0|2,0,0]=4 20200 B15R2.27836 C(=NNCC1CCC1)c2ccccc2 4a_200020586977_100015611070 [1,0,0,1,0,0|2,0,0]=4 20201 B15R2.27836 c1ccc(cc1)COCCC2COC2 34a_100009855314_100015291786 [1,0,0,1,0,0|1,0,1]=4 20202 B15R2.27836 c1ccc(cc1)COCCN2CCC2 269982a_100000754969_100000234347 [1,0,0,1,0,0|1,0,1]=4 20203 B15R2.27836 c1ccc(cc1)COCNC2CCC2 2230a_100000749019_100000763385 [1,0,0,1,0,0|1,0,1]=4 20204 B15R2.27836 c1ccc(cc1)COCNC2CCC2 34a_100000749019_100000763385 [1,0,0,1,0,0|1,0,1]=4 20205 B15R2.27836 c1ccc(cc1)COCOC2CCC2 34a_100000748187_100000763385 [1,0,0,1,0,0|1,0,1]=4 20206 B15R2.27836 c1ccc(cc1)COCSC2CCC2 62a_100000763385_100000749161 [1,0,0,1,0,0|1,0,1]=4 20207 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000210231_200011218536 [0,0,0,1,0,1|1,0,1]=4 20208 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000748627_100000210327 [0,0,0,1,0,1|1,0,1]=4 20209 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000210231_200011218536 [0,0,0,1,0,1|1,0,1]=4 20210 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000748627_100000210327 [0,0,0,1,0,1|1,0,1]=4 20211 B17R2.143 O=C(C=C1CCCCC1)Cc2ccccc2 1458a_100000743792_100015291786 [0,0,0,1,0,1|1,0,1]=4 20212 B17R2.143 O=C(C=C1CCCCC1)Nc2ccccc2 11a_100000106764_100000743792 [0,0,0,1,0,1|1,0,1]=4 20213 B17R2.143 O=C(C=C1CCCCC1)Nc2ccccc2 1626a_100000106764_100000743792 [0,0,0,1,0,1|1,0,1]=4 20214 B17R2.143 O=C(C=C1CCCCC1)Nc2ccccc2 22a_100000106764_100000743792 [0,0,0,1,0,1|1,0,1]=4 20215 B17R2.143 O=C(CC1CCCCC1)C[n+]2ccccc2 1458a_200000086051_100000211423 [0,0,0,1,0,1|2,0,0]=4 20216 B17R2.143 O=C(CC1CCCCC1)Nc2ccccc2 11a_100000106764_100000211666 [0,0,0,1,0,1|1,0,0]=3 20217 B17R2.143 O=C(CC1CCCCC1)Nc2ccccc2 1626a_100000106764_100000211666 [0,0,0,1,0,1|1,0,0]=3 20218 B17R2.143 O=C(CC1CCCCC1)Nc2ccccc2 22a_100000106764_100000211666 [0,0,0,1,0,1|1,0,0]=3 20219 B17R2.143 O=C(CC1CCCCC1)Nc2ccccc2 527a_100000106764_100000211666 [0,0,0,1,0,1|1,0,0]=3 20220 B17R2.143 O=C(CC1CCCCO1)Nc2ccccc2 11a_100000106764_100000238585 [0,0,0,1,0,1|2,0,0]=4 20221 B17R2.143 O=C(CC1CCCCO1)Nc2ccccc2 1626a_100000106764_100000238585 [0,0,0,1,0,1|2,0,0]=4 20222 B17R2.143 O=C(CC1CCCCO1)Nc2ccccc2 22a_100000106764_100000238585 [0,0,0,1,0,1|2,0,0]=4 20223 B17R2.143 O=C(CC1CCCCO1)Nc2ccccc2 527a_100000106764_100000238585 [0,0,0,1,0,1|2,0,0]=4 20224 B17R2.143 O=C(CC1CCCOC1)Nc2ccccc2 11a_100000106764_100000741523 [0,0,0,1,0,1|2,0,0]=4 20225 B17R2.143 O=C(CC1CCCOC1)Nc2ccccc2 1626a_100000106764_100000741523 [0,0,0,1,0,1|2,0,0]=4 20226 B17R2.143 O=C(CC1CCCOC1)Nc2ccccc2 22a_100000106764_100000741523 [0,0,0,1,0,1|2,0,0]=4 20227 B17R2.143 O=C(CC1CCCOC1)Nc2ccccc2 527a_100000106764_100000741523 [0,0,0,1,0,1|2,0,0]=4 20228 B17R2.143 O=C(CC1CCOCC1)Nc2ccccc2 11a_100000106764_100000757261 [0,0,0,1,0,1|2,0,0]=4 20229 B17R2.143 O=C(CC1CCOCC1)Nc2ccccc2 1626a_100000106764_100000757261 [0,0,0,1,0,1|2,0,0]=4 20230 B17R2.143 O=C(CC1CCOCC1)Nc2ccccc2 22a_100000106764_100000757261 [0,0,0,1,0,1|2,0,0]=4 20231 B17R2.143 O=C(CC1CCOCC1)Nc2ccccc2 527a_100000106764_100000757261 [0,0,0,1,0,1|2,0,0]=4 20232 B17R2.143 O=C(CN1CCCCC1)Nc2ccccc2 11a_100000106764_100000740322 [0,0,0,1,0,1|2,0,0]=4 20233 B17R2.143 O=C(CN1CCCCC1)Nc2ccccc2 22a_100000106764_100000740322 [0,0,0,1,0,1|2,0,0]=4 20234 B17R2.143 O=C(CN1CCCCC1)Nc2ccccc2 527a_100000106764_100000740322 [0,0,0,1,0,1|2,0,0]=4 20235 B17R2.143 O=C(C[n+]1ccccc1)NC2CCCCC2 11a_100000182618_200000086051 [0,0,0,1,0,1|2,0,0]=4 20236 B17R2.143 O=C(C[n+]1ccccc1)NC2CCCCC2 240690a_100000182618_200000086051 [0,0,0,1,0,1|2,0,0]=4 20237 B17R2.143 O=C(C[n+]1ccccc1)NC2CCCCC2 527a_100000182618_200000086051 [0,0,0,1,0,1|2,0,0]=4 20238 B17R2.143 O=C(Cc1ccccc1)CC2CCCCC2 1458a_100000211666_100015291786 [0,0,0,1,0,1|1,0,0]=3 20239 B17R2.143 O=C(Cc1ccccc1)CC2CCCCO2 1458a_100000238585_100015291786 [0,0,0,1,0,1|2,0,0]=4 20240 B17R2.143 O=C(Cc1ccccc1)CC2CCCOC2 1458a_100000741523_100015291786 [0,0,0,1,0,1|2,0,0]=4 20241 B17R2.143 O=C(Cc1ccccc1)CC2CCOCC2 1458a_100000757261_100015291786 [0,0,0,1,0,1|2,0,0]=4 20242 B17R2.143 O=C(Cc1ccccc1)CN2CCCCC2 1458a_100000740322_100015291786 [0,0,0,1,0,1|2,0,0]=4 20243 B17R2.143 O=C(Cc1ccccn1)CC2CCCCC2 1458a_100000211666_100000721315 [0,0,0,1,0,1|2,0,0]=4 20244 B17R2.143 O=C(Cc1ccccn1)CC2CCCCC2 1458a_100000233486_100000211423 [0,0,0,1,0,1|2,0,0]=4 20245 B17R2.143 O=C(Cc1ccccn1)NC2CCCCC2 11a_100000182618_100000233486 [0,0,0,1,0,1|2,0,0]=4 20246 B17R2.143 O=C(Cc1cccnc1)CC2CCCCC2 1458a_100000211666_100000733263 [0,0,0,1,0,1|2,0,0]=4 20247 B17R2.143 O=C(Cc1cccnc1)CC2CCCCC2 1458a_100000737805_100000211423 [0,0,0,1,0,1|2,0,0]=4 20248 B17R2.143 O=C(Cc1cccnc1)NC2CCCCC2 11a_100000182618_100000737805 [0,0,0,1,0,1|2,0,0]=4 20249 B17R2.143 O=C(Cc1cccnc1)NC2CCCCC2 240690a_100000182618_100000737805 [0,0,0,1,0,1|2,0,0]=4 20250 B17R2.143 O=C(Cc1cccnc1)NC2CCCCC2 527a_100000182618_100000737805 [0,0,0,1,0,1|2,0,0]=4 20251 B17R2.143 O=C(Cc1ccncc1)CC2CCCCC2 1458a_100000211666_100000705612 [0,0,0,1,0,1|2,0,0]=4 20252 B17R2.143 O=C(Cc1ccncc1)NC2CCCCC2 11a_100000182618_100011201483 [0,0,0,1,0,1|2,0,0]=4 20253 B17R2.143 O=C(Cc1ccncc1)NC2CCCCC2 240690a_100000182618_100011201483 [0,0,0,1,0,1|2,0,0]=4 20254 B17R2.143 O=C(Nc1ccccc1)NC2CCCCC2 2430a_100000106764_100000182618 [0,0,0,1,0,1|1,0,0]=3 20255 B17R2.143 O=C(Nc1ccccc1)NC2CCCOC2 2430a_100000106764_100000719290 [0,0,0,1,0,1|2,0,0]=4 20256 B17R2.143 O=C(Nc1ccccc1)NC2CCOCC2 2430a_100000106764_100000741149 [0,0,0,1,0,1|2,0,0]=4 20257 B17R2.143 O=C(Nc1ccccc1)NC2CCSCC2 2430a_100000106764_100000748639 [0,0,0,1,0,1|2,0,0]=4 20258 B17R2.2569 CCCCCCNc1nc2ccccc2[nH]1 27a_100000210581_100009814255 [0,0,0,1,0,1|2,0,0]=4 20259 B17R2.2569 CCCCCCNc1nc2ccccc2s1 27a_100000210581_100000751744 [0,0,0,1,0,1|1,1,0]=4 20260 B17R2.2569 CCCCCCOC1Cc2ccccc2C1 34a_100000210259_100000753484 [0,0,0,1,0,1|1,0,1]=4 20261 B17R2.2569 CCCCCCOC1Cc2ccccc2C1 34a_100011215286_100000210314 [0,0,0,1,0,1|1,0,1]=4 20262 B17R2.2569 CCCCCCOC1Cc2ccccc2C1 7a_100000210259_100000753484 [0,0,0,1,0,1|1,0,1]=4 20263 B17R2.2569 CCCCCCSc1cc2ccccc2[nH]1 62a_100000210314_100010232065 [0,0,0,1,0,1|1,1,0]=4 20264 B17R2.2569 CCCCCCSc1cc2ccccc2o1 62a_100000210314_100010159458 [0,0,0,1,0,1|0,1,1]=4 20265 B17R2.2569 CCCCCCSc1cc2ccccc2s1 62a_100000210314_100009816949 [0,0,0,1,0,1|0,2,0]=4 20266 B17R2.2569 CCCCCCSc1nc2ccccc2[nH]1 62a_100000210314_100009814255 [0,0,0,1,0,1|1,1,0]=4 20267 B17R2.2569 CCCCCCSc1nc2ccccc2s1 62a_100000210314_100000751744 [0,0,0,1,0,1|0,2,0]=4 20268 B17R2.2825 CCC1CCCN1C(=O)C[n+]2ccccc2 11a_100000754278_200000086051 [0,0,0,1,0,1|2,0,0]=4 20269 B17R2.2825 CCC1CCCN1C(=O)C[n+]2ccccc2 240690a_100000754278_200000086051 [0,0,0,1,0,1|2,0,0]=4 20270 B17R2.2825 CCC1CCCN1C(=O)C[n+]2ccccc2 527a_100000754278_200000086051 [0,0,0,1,0,1|2,0,0]=4 20271 B17R2.2825 CCC1CCCN1C(=O)Cc2ccccn2 11a_100000754278_100000233486 [0,0,0,1,0,1|2,0,0]=4 20272 B17R2.2825 CCC1CCCN1C(=O)Cc2cccnc2 11a_100000754278_100000737805 [0,0,0,1,0,1|2,0,0]=4 20273 B17R2.2825 CCC1CCCN1C(=O)Cc2cccnc2 240690a_100000754278_100000737805 [0,0,0,1,0,1|2,0,0]=4 20274 B17R2.2825 CCC1CCCN1C(=O)Cc2cccnc2 527a_100000754278_100000737805 [0,0,0,1,0,1|2,0,0]=4 20275 B17R2.2825 CCC1CCCN1C(=O)Cc2ccncc2 11a_100000754278_100011201483 [0,0,0,1,0,1|2,0,0]=4 20276 B17R2.2825 CCC1CCCN1C(=O)Cc2ccncc2 240690a_100000754278_100011201483 [0,0,0,1,0,1|2,0,0]=4 20277 B17R2.2825 CCC1CCCN1C(=O)Nc2ccccc2 2430a_100000106764_100000754278 [0,0,0,1,0,1|1,0,0]=3 20278 B17R2.2825 CCN1CCCC1C(=O)Cc2ccccc2 1458a_106256033941_100015291786 [0,0,0,1,0,1|2,0,0]=4 20279 B17R2.2825 CCN1CCCC1C(=O)Nc2ccccc2 22a_100000106764_106256033941 [0,0,0,1,0,1|2,0,0]=4 20280 B17R2.2825 CCN1CCCC1C(=O)Nc2ccccc2 527a_100000106764_106256033941 [0,0,0,1,0,1|2,0,0]=4 20281 B17R2.2825 CCN1CCC[C@H]1C(=O)Nc2ccccc2 2230a_100102887412_100000210202 [0,0,0,1,0,1|2,0,0]=4 20282 B17R2.2825 CCN1CCC[C@H]1C(=O)Nc2ccccc2 269982a_100102887412_100000204670 [0,0,0,1,0,1|2,0,0]=4 20283 B17R2.2825 CCN1CCC[C@H]1C(=O)Nc2ccccc2 34a_100102887412_100000210202 [0,0,0,1,0,1|2,0,0]=4 20284 B17R2.2825 O=C(Nc1ccccc1)N2CCC[C@@H]2CO 2430a_100000106764_100000745186 [0,0,0,1,0,1|2,0,0]=4 20285 B17R2.3417 CC1CCCCC1C(=O)Cc2ccccc2 1458a_100011215568_100015291786 [0,0,0,1,0,1|1,0,0]=3 20286 B17R2.3417 CC1CCCCC1C(=O)Cc2ccccn2 1458a_100011215568_100000721315 [0,0,0,1,0,1|2,0,0]=4 20287 B17R2.3417 CC1CCCCC1C(=O)Cc2cccnc2 1458a_100011215568_100000733263 [0,0,0,1,0,1|2,0,0]=4 20288 B17R2.3417 CC1CCCCC1C(=O)Cc2ccncc2 1458a_100011215568_100000705612 [0,0,0,1,0,1|2,0,0]=4 20289 B17R2.3417 CC1CCCCC1C(=O)Nc2ccccc2 11a_100000106764_100011215568 [0,0,0,1,0,1|1,0,0]=3 20290 B17R2.3417 CC1CCCCC1C(=O)Nc2ccccc2 1626a_100000106764_100011215568 [0,0,0,1,0,1|1,0,0]=3 20291 B17R2.3417 CC1CCCCC1C(=O)Nc2ccccc2 22a_100000106764_100011215568 [0,0,0,1,0,1|1,0,0]=3 20292 B17R2.3417 CC1CCCCC1C(=O)Nc2ccccc2 527a_100000106764_100011215568 [0,0,0,1,0,1|1,0,0]=3 20293 B17R2.3417 CC1CCCCN1C(=O)C[n+]2ccccc2 11a_100000211376_200000086051 [0,0,0,1,0,1|2,0,0]=4 20294 B17R2.3417 CC1CCCCN1C(=O)C[n+]2ccccc2 240690a_100000211376_200000086051 [0,0,0,1,0,1|2,0,0]=4 20295 B17R2.3417 CC1CCCCN1C(=O)C[n+]2ccccc2 527a_100000211376_200000086051 [0,0,0,1,0,1|2,0,0]=4 20296 B17R2.3417 CC1CCCCN1C(=O)Cc2ccccn2 11a_100000211376_100000233486 [0,0,0,1,0,1|2,0,0]=4 20297 B17R2.3417 CC1CCCCN1C(=O)Cc2cccnc2 11a_100000211376_100000737805 [0,0,0,1,0,1|2,0,0]=4 20298 B17R2.3417 CC1CCCCN1C(=O)Cc2cccnc2 240690a_100000211376_100000737805 [0,0,0,1,0,1|2,0,0]=4 20299 B17R2.3417 CC1CCCCN1C(=O)Cc2cccnc2 527a_100000211376_100000737805 [0,0,0,1,0,1|2,0,0]=4 20300 B17R2.3417 CC1CCCCN1C(=O)Cc2ccncc2 11a_100000211376_100011201483 [0,0,0,1,0,1|2,0,0]=4 20301 B17R2.3417 CC1CCCCN1C(=O)Cc2ccncc2 240690a_100000211376_100011201483 [0,0,0,1,0,1|2,0,0]=4 20302 B17R2.3417 CC1CCCCN1C(=O)Nc2ccccc2 2430a_100000106764_100000211376 [0,0,0,1,0,1|1,0,0]=3 20303 B17R2.3417 CN1CCCC[C@@H]1C(=O)Cc2ccccc2 1458a_100000767060_100015291786 [0,0,0,1,0,1|2,0,0]=4 20304 B17R2.3417 CN1CCCC[C@@H]1C(=O)Nc2ccccc2 11a_100000106764_100000767060 [0,0,0,1,0,1|2,0,0]=4 20305 B17R2.3417 CN1CCCC[C@@H]1C(=O)Nc2ccccc2 1626a_100000106764_100000767060 [0,0,0,1,0,1|2,0,0]=4 20306 B17R2.3417 CN1CCCC[C@@H]1C(=O)Nc2ccccc2 22a_100000106764_100000767060 [0,0,0,1,0,1|2,0,0]=4 20307 B17R2.3417 CN1CCCC[C@@H]1C(=O)Nc2ccccc2 527a_100000106764_100000767060 [0,0,0,1,0,1|2,0,0]=4 20308 B17R2.3417 C[C@H]1COCCN1C(=O)Nc2ccccc2 2430a_100000106764_100009815349 [0,0,0,1,0,1|2,0,0]=4 20309 B17R2.3417 O=C(Cc1ccccc1)C2CCCCC2O 1458a_100011803323_100015291786 [0,0,0,1,0,1|2,0,0]=4 20310 B17R2.3417 O=C(Nc1ccccc1)C2CCCCC2O 22a_100000106764_100011803323 [0,0,0,1,0,1|2,0,0]=4 20311 B17R2.3512 CC(Cc1ccccc1)OC2CCCC2C 34a_100011216460_200011218536 [0,0,0,1,0,1|1,0,1]=4 20312 B17R2.3512 CC(Cc1ccccc1)OC2CCCC2C 7a_100011216460_200011218536 [0,0,0,1,0,1|1,0,1]=4 20313 B17R2.3512 C[C@@H]1CCCN1CC(=O)Cc2ccccc2 2230a_100015189458_100000233483 [0,0,0,1,0,1|2,0,0]=4 20314 B17R2.3512 C[C@@H]1CCCN1CC(=O)Cc2ccccc2 269982a_100015189458_100000233483 [0,0,0,1,0,1|2,0,0]=4 20315 B17R2.3512 C[C@@H]1CCCN1CC(=O)Nc2ccccc2 2230a_100015189458_100000182850 [0,0,0,1,0,1|2,0,0]=4 20316 B17R2.3512 C[C@@H]1CCCN1CC(=O)Nc2ccccc2 269982a_100015189458_100000182850 [0,0,0,1,0,1|2,0,0]=4 20317 B17R2.3512 C[C@@H]1CCCN1CC(=O)Nc2ccccc2 34a_100015189458_100000182850 [0,0,0,1,0,1|2,0,0]=4 20318 B17R2.3512 C[C@@H]1CCCN1CC(=O)Oc2ccccc2 2230a_100015189458_100009813826 [0,0,0,1,0,1|2,0,0]=4 20319 B17R2.3512 C[C@@H]1CCCN1CC(=O)Oc2ccccc2 269982a_100015189458_100009813826 [0,0,0,1,0,1|2,0,0]=4 20320 B17R2.3512 C[C@@H]1CCCN1CC(=O)Oc2ccccc2 34a_100015189458_100009813826 [0,0,0,1,0,1|2,0,0]=4 20321 B17R2.3512 C[C@H]1CCCN1CC(=O)Cc2ccccc2 2230a_100020605311_100000233483 [0,0,0,1,0,1|2,0,0]=4 20322 B17R2.3512 C[C@H]1CCCN1CC(=O)Cc2ccccc2 269982a_100020605311_100000233483 [0,0,0,1,0,1|2,0,0]=4 20323 B17R2.3512 C[C@H]1CCCN1CC(=O)Nc2ccccc2 2230a_100020605311_100000182850 [0,0,0,1,0,1|2,0,0]=4 20324 B17R2.3512 C[C@H]1CCCN1CC(=O)Nc2ccccc2 269982a_100020605311_100000182850 [0,0,0,1,0,1|2,0,0]=4 20325 B17R2.3512 C[C@H]1CCCN1CC(=O)Oc2ccccc2 2230a_100020605311_100009813826 [0,0,0,1,0,1|2,0,0]=4 20326 B17R2.3512 C[C@H]1CCCN1CC(=O)Oc2ccccc2 269982a_100020605311_100009813826 [0,0,0,1,0,1|2,0,0]=4 20327 B17R2.3512 O=C(Nc1ccccc1)N[C@H]2CCC[C@@H]2O 2430a_100000106764_100000748460 [0,0,0,1,0,1|2,0,0]=4 20328 B17R2.3851 CC1CC1COCC(=O)Cc2ccccc2 7a_100000744939_100000233483 [0,0,0,1,0,1|2,0,0]=4 20329 B17R2.3851 CC1CC1COCC(=O)Nc2ccccc2 34a_100000744939_100000182850 [0,0,0,1,0,1|2,0,0]=4 20330 B17R2.3851 CC1CC1COCC(=O)Nc2ccccc2 7a_100000744939_100000182850 [0,0,0,1,0,1|2,0,0]=4 20331 B17R2.3851 CC1CC1COCC(=O)Oc2ccccc2 34a_100000744939_100009813826 [0,0,0,1,0,1|2,0,0]=4 20332 B17R2.3851 CC1CC1COCC(=O)Oc2ccccc2 7a_100000744939_100009813826 [0,0,0,1,0,1|2,0,0]=4 20333 B17R2.4072 CCCN1CCNC(=O)C1c2ccccc2 2230a_100102954019_100000210303 [0,0,0,1,0,1|2,0,0]=4 20334 B17R2.4072 CCCN1CCNC(=O)C1c2ccccc2 269982a_100102954019_100000210303 [0,0,0,1,0,1|2,0,0]=4 20335 B17R2.4162 COCC1CCN1C(=O)Nc2ccccc2 2430a_100000106764_100015195929 [0,0,0,1,0,1|2,0,0]=4 20336 B17R2.5327 CC1CCN1CCC(=O)Nc2ccccc2 269982a_100000755817_100000242058 [0,0,0,1,0,1|2,0,0]=4 20337 B17R2.5327 CC1CCN1CCC(=O)Nc2ccccc2 34a_100000755817_100000242058 [0,0,0,1,0,1|2,0,0]=4 20338 B17R2.5327 CC1CCN1CCC(=O)Oc2ccccc2 269982a_100000755817_200000035796 [0,0,0,1,0,1|2,0,0]=4 20339 B17R2.5718 O=C(CCCN1CCC1)Nc2ccccc2 269982a_100000754969_100011194425 [0,0,0,1,0,1|2,0,0]=4 20340 B17R2.5718 O=C(CCNC1CCC1)Nc2ccccc2 2230a_100000749019_100000242058 [0,0,0,1,0,1|2,0,0]=4 20341 B17R2.5718 O=C(CCNC1CCC1)Nc2ccccc2 34a_100000749019_100000242058 [0,0,0,1,0,1|2,0,0]=4 20342 B17R2.5718 O=C(CCNC1CCC1)Oc2ccccc2 2230a_100000749019_200000035796 [0,0,0,1,0,1|2,0,0]=4 20343 B17R2.5718 O=C(CCOC1CCC1)Nc2ccccc2 34a_100000748187_100000242058 [0,0,0,1,0,1|2,0,0]=4 20344 B17R2.5718 O=C(CNCC1CCC1)Cc2ccccc2 2230a_100000738700_100000233483 [0,0,0,1,0,1|2,0,0]=4 20345 B17R2.5718 O=C(CNCC1CCC1)Nc2ccccc2 2230a_100000738700_100000182850 [0,0,0,1,0,1|2,0,0]=4 20346 B17R2.5718 O=C(CNCC1CCC1)Nc2ccccc2 34a_100000738700_100000182850 [0,0,0,1,0,1|2,0,0]=4 20347 B17R2.5718 O=C(CNCC1CCC1)Oc2ccccc2 2230a_100000738700_100009813826 [0,0,0,1,0,1|2,0,0]=4 20348 B17R2.5718 O=C(CNCC1CCC1)Oc2ccccc2 34a_100000738700_100009813826 [0,0,0,1,0,1|2,0,0]=4 20349 B17R2.5718 O=C(COCC1CCC1)Nc2ccccc2 34a_100000246334_100000763275 [0,0,0,1,0,1|2,0,0]=4 20350 B17R2.5718 O=C(COCC1CCC1)Nc2ccccc2 34a_100000760304_100000182850 [0,0,0,1,0,1|2,0,0]=4 20351 B17R2.5718 O=C(COCC1CCC1)Oc2ccccc2 34a_100000760304_100009813826 [0,0,0,1,0,1|2,0,0]=4 20352 B17R2.5718 O=C(CSCC1CCC1)Cc2ccccc2 62a_100000233483_100000763275 [0,0,0,1,0,1|2,0,0]=4 20353 B17R2.5718 O=C(CSCC1CCC1)Cc2ccccc2 62a_100000763275_100000233483 [0,0,0,1,0,1|2,0,0]=4 20354 B17R2.5718 O=C(CSCC1CCC1)Nc2ccccc2 62a_100000763275_100000182850 [0,0,0,1,0,1|2,0,0]=4 20355 B17R2.5718 O=C(CSCC1CCC1)Nc2ccccc2 62a_100012148978_100000763275 [0,0,0,1,0,1|2,0,0]=4 20356 B17R2.5718 O=C(CSCC1CCC1)Oc2ccccc2 62a_100000763275_100009813826 [0,0,0,1,0,1|2,0,0]=4 20357 B17R2.5718 O=C(CSCC1CCC1)Oc2ccccc2 62a_100009813826_100000763275 [0,0,0,1,0,1|2,0,0]=4 20358 B17R2.8341 CC(Cc1ccccc1)OCC2CCCC2 34a_100000742336_200011218536 [0,0,0,1,0,1|1,0,1]=4 20359 B17R2.8341 CC(Cc1ccccc1)OCC2CCCC2 34a_100000748627_100000740388 [0,0,0,1,0,1|1,0,1]=4 20360 B17R2.8341 CC(Cc1ccccc1)OCC2CCCC2 7a_100000742336_200011218536 [0,0,0,1,0,1|1,0,1]=4 20361 B17R2.8341 CC(Cc1ccccc1)OCC2CCCC2 7a_100000748627_100000740388 [0,0,0,1,0,1|1,0,1]=4 20362 B17R2.8341 O=C(CCC1CCCC1)C[n+]2ccccc2 1458a_200000086051_100000760354 [0,0,0,1,0,1|2,0,0]=4 20363 B17R2.8341 O=C(CCC1CCCC1)Cc2ccccc2 1458a_100000211120_100015291786 [0,0,0,1,0,1|1,0,0]=3 20364 B17R2.8341 O=C(CCC1CCCC1)Cc2ccccn2 1458a_100000211120_100000721315 [0,0,0,1,0,1|2,0,0]=4 20365 B17R2.8341 O=C(CCC1CCCC1)Cc2ccccn2 1458a_100000233486_100000760354 [0,0,0,1,0,1|2,0,0]=4 20366 B17R2.8341 O=C(CCC1CCCC1)Cc2cccnc2 1458a_100000211120_100000733263 [0,0,0,1,0,1|2,0,0]=4 20367 B17R2.8341 O=C(CCC1CCCC1)Cc2cccnc2 1458a_100000737805_100000760354 [0,0,0,1,0,1|2,0,0]=4 20368 B17R2.8341 O=C(CCC1CCCC1)Cc2ccncc2 1458a_100000211120_100000705612 [0,0,0,1,0,1|2,0,0]=4 20369 B17R2.8341 O=C(CCC1CCCC1)Nc2ccccc2 11a_100000106764_100000211120 [0,0,0,1,0,1|1,0,0]=3 20370 B17R2.8341 O=C(CCC1CCCC1)Nc2ccccc2 1626a_100000106764_100000211120 [0,0,0,1,0,1|1,0,0]=3 20371 B17R2.8341 O=C(CCC1CCCC1)Nc2ccccc2 22a_100000106764_100000211120 [0,0,0,1,0,1|1,0,0]=3 20372 B17R2.8341 O=C(CCC1CCCC1)Nc2ccccc2 527a_100000106764_100000211120 [0,0,0,1,0,1|1,0,0]=3 20373 B17R2.8341 O=C(CCC1CCCO1)Cc2ccccc2 1458a_100011247709_100015291786 [0,0,0,1,0,1|2,0,0]=4 20374 B17R2.8341 O=C(CCC1CCCO1)Nc2ccccc2 11a_100000106764_100011247709 [0,0,0,1,0,1|2,0,0]=4 20375 B17R2.8341 O=C(CCC1CCCO1)Nc2ccccc2 1626a_100000106764_100011247709 [0,0,0,1,0,1|2,0,0]=4 20376 B17R2.8341 O=C(CCC1CCCO1)Nc2ccccc2 22a_100000106764_100011247709 [0,0,0,1,0,1|2,0,0]=4 20377 B17R2.8341 O=C(CCC1CCCO1)Nc2ccccc2 527a_100000106764_100011247709 [0,0,0,1,0,1|2,0,0]=4 20378 B17R2.8341 O=C(CCN1CCCC1)Cc2ccccc2 1458a_100000738983_100015291786 [0,0,0,1,0,1|2,0,0]=4 20379 B17R2.8341 O=C(CCN1CCCC1)Nc2ccccc2 2230a_100000188435_100000242058 [0,0,0,1,0,1|2,0,0]=4 20380 B17R2.8341 O=C(CCN1CCCC1)Nc2ccccc2 22a_100000106764_100000738983 [0,0,0,1,0,1|2,0,0]=4 20381 B17R2.8341 O=C(CCN1CCCC1)Nc2ccccc2 269982a_100000188435_100000242058 [0,0,0,1,0,1|2,0,0]=4 20382 B17R2.8341 O=C(CCN1CCCC1)Oc2ccccc2 2230a_100000188435_200000035796 [0,0,0,1,0,1|2,0,0]=4 20383 B17R2.8341 O=C(CCN1CCCC1)Oc2ccccc2 269982a_100000188435_200000035796 [0,0,0,1,0,1|2,0,0]=4 20384 B17R2.8341 O=C(CNC1CCCC1)Cc2ccccc2 2230a_100000211070_100000233483 [0,0,0,1,0,1|2,0,0]=4 20385 B17R2.8341 O=C(CNC1CCCC1)Nc2ccccc2 2230a_100000211070_100000182850 [0,0,0,1,0,1|2,0,0]=4 20386 B17R2.8341 O=C(CNC1CCCC1)Nc2ccccc2 270004a_100000742222_100000210133 [0,0,0,1,0,1|2,0,0]=4 20387 B17R2.8341 O=C(CNC1CCCC1)Nc2ccccc2 34a_100000211070_100000182850 [0,0,0,1,0,1|2,0,0]=4 20388 B17R2.8341 O=C(CNC1CCCC1)Oc2ccccc2 2230a_100000211070_100009813826 [0,0,0,1,0,1|2,0,0]=4 20389 B17R2.8341 O=C(CNC1CCCC1)Oc2ccccc2 34a_100000211070_100009813826 [0,0,0,1,0,1|2,0,0]=4 20390 B17R2.8341 O=C(COC1CCCC1)Cc2ccccc2 1458a_100000741352_100015291786 [0,0,0,1,0,1|2,0,0]=4 20391 B17R2.8341 O=C(COC1CCCC1)Cc2ccccc2 7a_100000210269_100000233483 [0,0,0,1,0,1|2,0,0]=4 20392 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 11a_100000106764_100000741352 [0,0,0,1,0,1|2,0,0]=4 20393 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 1626a_100000106764_100000741352 [0,0,0,1,0,1|2,0,0]=4 20394 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 22a_100000106764_100000741352 [0,0,0,1,0,1|2,0,0]=4 20395 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 34a_100000210269_100000182850 [0,0,0,1,0,1|2,0,0]=4 20396 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 34a_100000246334_100000179811 [0,0,0,1,0,1|2,0,0]=4 20397 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 527a_100000106764_100000741352 [0,0,0,1,0,1|2,0,0]=4 20398 B17R2.8341 O=C(COC1CCCC1)Nc2ccccc2 7a_100000210269_100000182850 [0,0,0,1,0,1|2,0,0]=4 20399 B17R2.8341 O=C(COC1CCCC1)Oc2ccccc2 34a_100000210269_100009813826 [0,0,0,1,0,1|2,0,0]=4 20400 B17R2.8341 O=C(COC1CCCC1)Oc2ccccc2 7a_100000210269_100009813826 [0,0,0,1,0,1|2,0,0]=4 20401 B17R2.8341 O=C(CSC1CCCC1)Cc2ccccc2 62a_100000233483_100000179811 [0,0,0,1,0,1|2,0,0]=4 20402 B17R2.8341 O=C(CSC1CCCC1)Cc2ccccc2 62a_100011217020_100000233483 [0,0,0,1,0,1|2,0,0]=4 20403 B17R2.8341 O=C(CSC1CCCC1)Nc2ccccc2 62a_100011217020_100000182850 [0,0,0,1,0,1|2,0,0]=4 20404 B17R2.8341 O=C(CSC1CCCC1)Nc2ccccc2 62a_100012148978_100000179811 [0,0,0,1,0,1|2,0,0]=4 20405 B17R2.8341 O=C(CSC1CCCC1)Oc2ccccc2 62a_100009813826_100000179811 [0,0,0,1,0,1|2,0,0]=4 20406 B17R2.8341 O=C(CSC1CCCC1)Oc2ccccc2 62a_100011217020_100009813826 [0,0,0,1,0,1|2,0,0]=4 20407 B17R2.8341 O=C(C[n+]1ccccc1)NCC2CCCC2 11a_100000737975_200000086051 [0,0,0,1,0,1|2,0,0]=4 20408 B17R2.8341 O=C(C[n+]1ccccc1)NCC2CCCC2 240690a_100000737975_200000086051 [0,0,0,1,0,1|2,0,0]=4 20409 B17R2.8341 O=C(C[n+]1ccccc1)NCC2CCCC2 527a_100000737975_200000086051 [0,0,0,1,0,1|2,0,0]=4 20410 B17R2.8341 O=C(Cc1ccccn1)NCC2CCCC2 11a_100000737975_100000233486 [0,0,0,1,0,1|2,0,0]=4 20411 B17R2.8341 O=C(Cc1cccnc1)NCC2CCCC2 11a_100000737975_100000737805 [0,0,0,1,0,1|2,0,0]=4 20412 B17R2.8341 O=C(Cc1cccnc1)NCC2CCCC2 240690a_100000737975_100000737805 [0,0,0,1,0,1|2,0,0]=4 20413 B17R2.8341 O=C(Cc1cccnc1)NCC2CCCC2 527a_100000737975_100000737805 [0,0,0,1,0,1|2,0,0]=4 20414 B17R2.8341 O=C(Cc1ccncc1)NCC2CCCC2 11a_100000737975_100011201483 [0,0,0,1,0,1|2,0,0]=4 20415 B17R2.8341 O=C(Cc1ccncc1)NCC2CCCC2 240690a_100000737975_100011201483 [0,0,0,1,0,1|2,0,0]=4 20416 B17R2.8341 O=C(NCC1CCCC1)Nc2ccccc2 2430a_100000106764_100000737975 [0,0,0,1,0,1|1,0,0]=3 20417 B17R2.8341 O=C(NCC1CCOC1)Nc2ccccc2 2430a_100000106764_100000737293 [0,0,0,1,0,1|2,0,0]=4 20418 B17R2.8341 O=C(NC[C@@H]1CCCO1)Nc2ccccc2 2430a_100000106764_100020590478 [0,0,0,1,0,1|2,0,0]=4 20419 B17R2.17872 O=C(CCCNC1CC1)Nc2ccccc2 34a_100000212008_100011194425 [0,0,0,1,0,1|2,0,0]=4 20420 B17R2.17872 O=C(CCCNC1CC1)Nc2ccccc2 34a_100000750157_100000211595 [0,0,0,1,0,1|2,0,0]=4 20421 B17R2.17872 O=C(CCNCC1CC1)Nc2ccccc2 2230a_100000735609_100000242058 [0,0,0,1,0,1|2,0,0]=4 20422 B17R2.17872 O=C(CCNCC1CC1)Nc2ccccc2 34a_100000735609_100000242058 [0,0,0,1,0,1|2,0,0]=4 20423 B17R2.17872 O=C(CCNCC1CC1)Oc2ccccc2 2230a_100000735609_200000035796 [0,0,0,1,0,1|2,0,0]=4 20424 B17R2.17872 O=C(CCOCC1CC1)Nc2ccccc2 34a_100000211283_100000242058 [0,0,0,1,0,1|2,0,0]=4 20425 B17R2.17872 O=C(CCSCC1CC1)Nc2ccccc2 62a_100000756562_100000242058 [0,0,0,1,0,1|2,0,0]=4 20426 B17R2.17872 O=C(CCSCC1CC1)Oc2ccccc2 62a_100000756562_200000035796 [0,0,0,1,0,1|2,0,0]=4 20427 B17R2.17872 O=C(CNCCC1CC1)Nc2ccccc2 34a_100000764129_100000182850 [0,0,0,1,0,1|2,0,0]=4 20428 B17R2.17872 O=C(CNCCC1CC1)Oc2ccccc2 34a_100000764129_100009813826 [0,0,0,1,0,1|2,0,0]=4 20429 B17R2.17872 O=C(COCCC1CC1)Cc2ccccc2 7a_100000754188_100000233483 [0,0,0,1,0,1|2,0,0]=4 20430 B17R2.17872 O=C(COCCC1CC1)Nc2ccccc2 34a_100000246334_100000694398 [0,0,0,1,0,1|2,0,0]=4 20431 B17R2.17872 O=C(COCCC1CC1)Nc2ccccc2 34a_100000754188_100000182850 [0,0,0,1,0,1|2,0,0]=4 20432 B17R2.17872 O=C(COCCC1CC1)Nc2ccccc2 7a_100000754188_100000182850 [0,0,0,1,0,1|2,0,0]=4 20433 B17R2.17872 O=C(COCCC1CC1)Oc2ccccc2 34a_100000754188_100009813826 [0,0,0,1,0,1|2,0,0]=4 20434 B17R2.17872 O=C(COCCC1CC1)Oc2ccccc2 7a_100000754188_100009813826 [0,0,0,1,0,1|2,0,0]=4 20435 B17R2.17872 O=C(CSCCC1CC1)Cc2ccccc2 62a_100000233483_100000764125 [0,0,0,1,0,1|2,0,0]=4 20436 B17R2.17872 O=C(CSCCC1CC1)Cc2ccccc2 62a_100000764125_100000233483 [0,0,0,1,0,1|2,0,0]=4 20437 B17R2.17872 O=C(CSCCC1CC1)Nc2ccccc2 62a_100000764125_100000182850 [0,0,0,1,0,1|2,0,0]=4 20438 B17R2.17872 O=C(CSCCC1CC1)Nc2ccccc2 62a_100012148978_100000764125 [0,0,0,1,0,1|2,0,0]=4 20439 B17R2.17872 O=C(CSCCC1CC1)Oc2ccccc2 62a_100000764125_100009813826 [0,0,0,1,0,1|2,0,0]=4 20440 B17R2.17872 O=C(CSCCC1CC1)Oc2ccccc2 62a_100009813826_100000764125 [0,0,0,1,0,1|2,0,0]=4 20441 B17R2.19036 CCCCCSC1C(=O)Nc2c1cccc2 62a_100000210326_200009996675 [0,0,0,1,0,1|2,0,0]=4 20442 B17R2.19036 CCNCCCn1c(=O)[nH]c2c1cccc2 2230a_100015525214_100000184716 [0,0,0,1,0,1|2,0,0]=4 20443 B17R2.19036 CCSCCCn1c(=O)[nH]c2c1cccc2 62a_100000210202_100000184716 [0,0,0,1,0,1|2,0,0]=4 20444 B17R2.45575 O=C(C[n+]1ccccc1)C2CCCCCC2 1458a_200000086051_100011217769 [0,0,0,1,0,1|2,0,0]=4 20445 B17R2.45575 O=C(C[n+]1ccccc1)N2CCCCCC2 11a_100000185865_200000086051 [0,0,0,1,0,1|2,0,0]=4 20446 B17R2.45575 O=C(C[n+]1ccccc1)N2CCCCCC2 240690a_100000185865_200000086051 [0,0,0,1,0,1|2,0,0]=4 20447 B17R2.45575 O=C(C[n+]1ccccc1)N2CCCCCC2 527a_100000185865_200000086051 [0,0,0,1,0,1|2,0,0]=4 20448 B17R2.45575 O=C(Cc1ccccc1)C2CCCCCC2 1458a_100000749507_100015291786 [0,0,0,1,0,1|1,0,0]=3 20449 B17R2.45575 O=C(Cc1ccccn1)C2CCCCCC2 1458a_100000233486_100011217769 [0,0,0,1,0,1|2,0,0]=4 20450 B17R2.45575 O=C(Cc1ccccn1)C2CCCCCC2 1458a_100000749507_100000721315 [0,0,0,1,0,1|2,0,0]=4 20451 B17R2.45575 O=C(Cc1ccccn1)N2CCCCCC2 11a_100000185865_100000233486 [0,0,0,1,0,1|2,0,0]=4 20452 B17R2.45575 O=C(Cc1cccnc1)C2CCCCCC2 1458a_100000737805_100011217769 [0,0,0,1,0,1|2,0,0]=4 20453 B17R2.45575 O=C(Cc1cccnc1)C2CCCCCC2 1458a_100000749507_100000733263 [0,0,0,1,0,1|2,0,0]=4 20454 B17R2.45575 O=C(Cc1cccnc1)N2CCCCCC2 11a_100000185865_100000737805 [0,0,0,1,0,1|2,0,0]=4 20455 B17R2.45575 O=C(Cc1cccnc1)N2CCCCCC2 240690a_100000185865_100000737805 [0,0,0,1,0,1|2,0,0]=4 20456 B17R2.45575 O=C(Cc1cccnc1)N2CCCCCC2 527a_100000185865_100000737805 [0,0,0,1,0,1|2,0,0]=4 20457 B17R2.45575 O=C(Cc1ccncc1)C2CCCCCC2 1458a_100000749507_100000705612 [0,0,0,1,0,1|2,0,0]=4 20458 B17R2.45575 O=C(Cc1ccncc1)N2CCCCCC2 11a_100000185865_100011201483 [0,0,0,1,0,1|2,0,0]=4 20459 B17R2.45575 O=C(Cc1ccncc1)N2CCCCCC2 240690a_100000185865_100011201483 [0,0,0,1,0,1|2,0,0]=4 20460 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 11a_100000106764_100000749507 [0,0,0,1,0,1|1,0,0]=3 20461 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 1626a_100000106764_100000749507 [0,0,0,1,0,1|1,0,0]=3 20462 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 22a_100000106764_100000749507 [0,0,0,1,0,1|1,0,0]=3 20463 B17R2.45575 O=C(Nc1ccccc1)C2CCCCCC2 527a_100000106764_100000749507 [0,0,0,1,0,1|1,0,0]=3 20464 B17R2.45575 O=C(Nc1ccccc1)N2CCCCCC2 2430a_100000106764_100000185865 [0,0,0,1,0,1|1,0,0]=3 20465 B17R2.45575 O=C(Nc1ccccc1)N2CCCOCC2 2430a_100000106764_100000685342 [0,0,0,1,0,1|2,0,0]=4 20466 B17R2.268 CCCCCc1nc(no1)c2ccccc2 270196a_100000210280_100000212188 [0,1,0,1,0,0|1,0,1]=4 20467 B17R2.268 CCCCCc1noc(n1)c2ccccc2 270196a_200011207956_100000185807 [0,1,0,1,0,0|1,0,1]=4 20468 B17R2.268 CCCOCC1CC(=NO1)c2ccccc2 34a_100000210258_100009817038 [0,1,0,1,0,0|2,0,0]=4 20469 B17R2.268 CCCSCC1CC(=NO1)c2ccccc2 62a_100000210303_100009817038 [0,1,0,1,0,0|2,0,0]=4 20470 B17R2.268 CCCSCC1CC(=NO1)c2ccccc2 62a_100009817038_100000210303 [0,1,0,1,0,0|2,0,0]=4 20471 B17R2.268 CCCSCC1COC(O1)c2ccccc2 62a_100000210303_100011996486 [0,1,0,1,0,0|0,0,2]=4 20472 B17R2.1593 CCC1CC1C(=O)CC(=O)c2ccccc2 1458a_200011661523_100000211460 [0,1,0,1,0,0|1,0,1]=4 20473 B17R2.2519 CCN1CCC(C1)CC(=O)c2ccccc2 1458a_100000185807_100015184589 [0,1,0,1,0,0|2,0,0]=4 20474 B17R2.2519 CCN1CCC(C1)NC(=O)c2ccccc2 11a_100015188829_100000185807 [0,1,0,1,0,0|2,0,0]=4 20475 B17R2.2519 CCN1CCC(C1)NC(=O)c2ccccc2 1626a_100015188829_100000185807 [0,1,0,1,0,0|2,0,0]=4 20476 B17R2.2519 CCN1CCC(C1)NC(=O)c2ccccc2 240690a_100015188829_100000185807 [0,1,0,1,0,0|2,0,0]=4 20477 B17R2.2519 CCN1CCC(C1)NC(=O)c2ccccc2 527a_100015188829_100000185807 [0,1,0,1,0,0|2,0,0]=4 20478 B17R2.4458 COCC1CC(C1)NC(=O)c2ccccc2 11a_100012180050_100000185807 [0,1,0,1,0,0|2,0,0]=4 20479 B17R2.4458 COCC1CC(C1)NC(=O)c2ccccc2 1626a_100012180050_100000185807 [0,1,0,1,0,0|2,0,0]=4 20480 B17R2.4458 COCC1CC(C1)NC(=O)c2ccccc2 240690a_100012180050_100000185807 [0,1,0,1,0,0|2,0,0]=4 20481 B17R2.4458 COCC1CC(C1)NC(=O)c2ccccc2 527a_100012180050_100000185807 [0,1,0,1,0,0|2,0,0]=4 20482 B17R2.4993 O=C1CCCCCC1C(=O)c2ccccc2 1458a_100000185807_100000243696 [0,1,0,1,0,0|1,0,1]=4 20483 B17R2.5268 CC1CCCC(N1C(=O)c2ccccc2)C 11a_100000210447_100000185807 [0,1,0,1,0,0|1,0,0]=3 20484 B17R2.5268 CC1CCCC(N1C(=O)c2ccccc2)C 240690a_100000210447_100000185807 [0,1,0,1,0,0|1,0,0]=3 20485 B17R2.5268 C[C@@H]1COC[C@@H](N1C(=O)c2ccccc2)C 11a_100103153222_100000185807 [0,1,0,1,0,0|2,0,0]=4 20486 B17R2.5268 C[C@@H]1COC[C@@H](N1C(=O)c2ccccc2)C 240690a_100103153222_100000185807 [0,1,0,1,0,0|2,0,0]=4 20487 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 11a_100011194320_100000185807 [0,1,0,1,0,0|1,0,0]=3 20488 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 1626a_100011194320_100000185807 [0,1,0,1,0,0|1,0,0]=3 20489 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 240690a_100011194320_100000185807 [0,1,0,1,0,0|1,0,0]=3 20490 B17R2.5293 CC1CCCC(C1)NC(=O)c2ccccc2 527a_100011194320_100000185807 [0,1,0,1,0,0|1,0,0]=3 20491 B17R2.5293 CC1CCCC(C1)OC(C)c2ccccc2 34a_100000211399_100000211855 [0,1,0,1,0,0|1,0,1]=4 20492 B17R2.5293 CN1CCCC(C1)CC(=O)c2ccccc2 1458a_100000185807_100015183302 [0,1,0,1,0,0|2,0,0]=4 20493 B17R2.5293 CN1CCC[C@@H](C1)NC(=O)c2ccccc2 240690a_100016992120_100000185807 [0,1,0,1,0,0|2,0,0]=4 20494 B17R2.5293 CN1CCC[C@@H](C1)NC(=O)c2ccccc2 527a_100016992120_100000185807 [0,1,0,1,0,0|2,0,0]=4 20495 B17R2.5293 C[C@H]1CCCN(C1)CC(=O)c2ccccc2 269982a_100000717927_100000211460 [0,1,0,1,0,0|2,0,0]=4 20496 B17R2.5293 O=C(CN1CCCC(C1)F)c2ccccc2 269982a_100000697950_100000211460 [0,1,0,1,0,0|2,0,0]=4 20497 B17R2.5293 O=C(CN1CCCC(C1)O)c2ccccc2 269982a_100000211013_100000211460 [0,1,0,1,0,0|2,0,0]=4 20498 B17R2.5293 O=C(NC1CCCC(C1)O)c2ccccc2 1626a_100015190357_100000185807 [0,1,0,1,0,0|1,0,0]=3 20499 B17R2.5293 O=C(NC1CCCC(C1)O)c2ccccc2 240690a_100015190357_100000185807 [0,1,0,1,0,0|1,0,0]=3 20500 B17R2.18474 CC(CC(=O)c1ccccc1)N2CCCC2 1458a_100000185807_200015187269 [0,1,0,1,0,0|2,0,0]=4 20501 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCC2 11a_100015185923_100000185807 [0,1,0,1,0,0|1,0,0]=3 20502 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCC2 1626a_100015185923_100000185807 [0,1,0,1,0,0|1,0,0]=3 20503 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCC2 240690a_100015185923_100000185807 [0,1,0,1,0,0|1,0,0]=3 20504 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCC2 527a_100015185923_100000185807 [0,1,0,1,0,0|1,0,0]=3 20505 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCO2 11a_100025754208_100000185807 [0,1,0,1,0,0|2,0,0]=4 20506 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCO2 1626a_100025754208_100000185807 [0,1,0,1,0,0|2,0,0]=4 20507 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCO2 240690a_100025754208_100000185807 [0,1,0,1,0,0|2,0,0]=4 20508 B17R2.18474 CC(NC(=O)c1ccccc1)C2CCCO2 527a_100025754208_100000185807 [0,1,0,1,0,0|2,0,0]=4 20509 B17R2.18474 CC(OC(C)C1CCCC1)c2ccccc2 34a_100011216366_100000211855 [0,1,0,1,0,0|1,0,1]=4 20510 B17R2.18474 CC(OC(C)C1CCCC1)c2ccccc2 7a_100011216366_100000230085 [0,1,0,1,0,0|1,0,1]=4 20511 B17R2.18474 CN(CC(=O)c1ccccc1)C2CCCC2 269982a_100000207505_100000211460 [0,1,0,1,0,0|2,0,0]=4 20512 B17R2.18474 O=C(CC(=O)C1CCCC1)c2ccccc2 1458a_100000210718_100000211460 [0,1,0,1,0,0|1,0,1]=4 20513 B17R2.45538 CC(OC1CCCCCC1)c2ccccc2 34a_100000210887_100000211855 [0,1,0,1,0,0|1,0,1]=4 20514 B17R2.45538 CC(OC1CCCCCC1)c2ccccc2 7a_100000210887_100000230085 [0,1,0,1,0,0|1,0,1]=4 20515 B17R2.45538 C[C@@H](OC1CCCCCC1)c2ccccc2 34a_100000761318_100011217769 [0,1,0,1,0,0|1,0,1]=4 20516 B17R2.45538 O=C(CC1CCCCCC1)c2ccccc2 1458a_100000185807_200000696569 [0,1,0,1,0,0|1,0,0]=3 20517 B17R2.45538 O=C(CN1CCCCCC1)c2ccccc2 269982a_100000185865_100000211460 [0,1,0,1,0,0|1,0,0]=3 20518 B17R2.45538 O=C(CN1CCCCCC1)c2ccccn2 269982a_100000185865_100000027445 [0,1,0,1,0,0|2,0,0]=4 20519 B17R2.45538 O=C(CN1CCCCCC1)c2ccccn2 34a_100000185865_100000027445 [0,1,0,1,0,0|2,0,0]=4 20520 B17R2.45538 O=C(CN1CCCCCC1)c2cccnc2 269982a_100000185865_100000757877 [0,1,0,1,0,0|2,0,0]=4 20521 B17R2.45538 O=C(CN1CCCCCC1)c2ccncc2 269982a_100000185865_100000027454 [0,1,0,1,0,0|2,0,0]=4 20522 B17R2.45538 O=C(CN1CCCOCC1)c2ccccc2 269982a_100000685342_100000211460 [0,1,0,1,0,0|2,0,0]=4 20523 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 11a_100000210984_100000185807 [0,1,0,1,0,0|1,0,0]=3 20524 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 1626a_100000210984_100000185807 [0,1,0,1,0,0|1,0,0]=3 20525 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 240690a_100000210984_100000185807 [0,1,0,1,0,0|1,0,0]=3 20526 B17R2.45538 O=C(NC1CCCCCC1)c2ccccc2 527a_100000210984_100000185807 [0,1,0,1,0,0|1,0,0]=3 20527 B17R2.45538 O=S(CN1CCCCCC1)c2ccccc2 269982a_100000185865_100000031784 [0,1,0,1,0,0|2,0,0]=4 20528 B17R2.45649 CN(CC(=O)c1ccccc1)CC2CCC2 269982a_200000750244_100000211460 [0,1,0,1,0,0|2,0,0]=4 20529 B17R2.45649 O=C(CC(=O)c1ccccc1)CC2CCC2 1458a_100000763092_100000211460 [0,1,0,1,0,0|1,0,1]=4 20530 B17R2.45679 O=C(CCC1CC1)CC(=O)c2ccccc2 1458a_100000756386_100000211460 [0,1,0,1,0,0|1,0,1]=4 20531 B17R2.75994 CCCCCC(C)OC1Cc2c1cccc2 7a_100011215632_100009813401 [0,1,0,1,0,0|1,0,1]=4 20532 B17R2.295454 CC(OC1(CCCCC1)C)c2ccccc2 34a_100011215885_100000211855 [0,1,0,1,0,0|1,0,1]=4 20533 B17R2.295454 CC(OC1(CCCCC1)C)c2ccccc2 7a_100011215885_100000230085 [0,1,0,1,0,0|1,0,1]=4 20534 B17R2.295454 CC1(CCCCC1)NC(=O)c2ccccc2 11a_100000741114_100000185807 [0,1,0,1,0,0|1,0,0]=3 20535 B17R2.295454 CC1(CCCCC1)NC(=O)c2ccccc2 1626a_100000741114_100000185807 [0,1,0,1,0,0|1,0,0]=3 20536 B17R2.295454 CC1(CCCCC1)NC(=O)c2ccccc2 240690a_100000741114_100000185807 [0,1,0,1,0,0|1,0,0]=3 20537 B17R2.295454 CC1(CCCCC1)NC(=O)c2ccccc2 527a_100000741114_100000185807 [0,1,0,1,0,0|1,0,0]=3 20538 B17R2.295454 CC1(CCOCC1)NC(=O)c2ccccc2 11a_100000692449_100000185807 [0,1,0,1,0,0|2,0,0]=4 20539 B17R2.295454 CC1(CCOCC1)NC(=O)c2ccccc2 1626a_100000692449_100000185807 [0,1,0,1,0,0|2,0,0]=4 20540 B17R2.295454 CC1(CCOCC1)NC(=O)c2ccccc2 240690a_100000692449_100000185807 [0,1,0,1,0,0|2,0,0]=4 20541 B17R2.295454 CC1(CCOCC1)NC(=O)c2ccccc2 527a_100000692449_100000185807 [0,1,0,1,0,0|2,0,0]=4 20542 B17R2.238 CCCCN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_100000210211 [0,1,0,1,0,0|1,0,1]=4 20543 B17R2.238 CCCCN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_100000210211 [0,1,0,1,0,0|1,0,1]=4 20544 B17R2.238 CCCCN1CCO[C@H](C1)c2ccccc2 34a_100009815478_100000210210 [0,1,0,1,0,0|1,0,1]=4 20545 B17R2.238 CCCNC1CCOC(C1)c2ccccc2 270004a_100020643023_100011986434 [0,1,0,1,0,0|1,0,1]=4 20546 B17R2.238 CCCOC1CCOC(C1)c2ccccc2 34a_100000692292_100000210303 [0,1,0,1,0,0|1,0,1]=4 20547 B17R2.238 CCCOC1CCOC(C1)c2ccccc2 7a_100000692292_100000210303 [0,1,0,1,0,0|1,0,1]=4 20548 B17R2.1066 C#CC1CCCCN1C(=O)c2ccccc2 11a_200020621307_100000185807 [0,1,0,1,0,0|1,0,1]=4 20549 B17R2.1066 C#CC1CCCCN1C(=O)c2ccccc2 1626a_200020621307_100000185807 [0,1,0,1,0,0|1,0,1]=4 20550 B17R2.1066 C#CC1CCCCN1C(=O)c2ccccc2 240690a_200020621307_100000185807 [0,1,0,1,0,0|1,0,1]=4 20551 B17R2.1066 C#CC1CCCCN1C(=O)c2ccccc2 527a_200020621307_100000185807 [0,1,0,1,0,0|1,0,1]=4 20552 B17R2.1066 CCC1CCCCN1C(=O)c2ccccc2 11a_100000210034_100000185807 [0,1,0,1,0,0|1,0,0]=3 20553 B17R2.1066 CCC1CCCCN1C(=O)c2ccccc2 1626a_100000210034_100000185807 [0,1,0,1,0,0|1,0,0]=3 20554 B17R2.1066 CCC1CCCCN1C(=O)c2ccccc2 240690a_100000210034_100000185807 [0,1,0,1,0,0|1,0,0]=3 20555 B17R2.1066 CCC1CCCCN1C(=O)c2ccccc2 527a_100000210034_100000185807 [0,1,0,1,0,0|1,0,0]=3 20556 B17R2.1066 CC[C@H]1COCCN1C(=O)c2ccccc2 11a_100016988097_100000185807 [0,1,0,1,0,0|1,0,0]=3 20557 B17R2.1066 CC[C@H]1COCCN1C(=O)c2ccccc2 1626a_100016988097_100000185807 [0,1,0,1,0,0|1,0,0]=3 20558 B17R2.1066 CC[C@H]1COCCN1C(=O)c2ccccc2 240690a_100016988097_100000185807 [0,1,0,1,0,0|1,0,0]=3 20559 B17R2.1066 CC[C@H]1COCCN1C(=O)c2ccccc2 527a_100016988097_100000185807 [0,1,0,1,0,0|1,0,0]=3 20560 B17R2.1066 N#CC1CCCCN1C(=O)c2ccccc2 11a_100016989756_100000185807 [0,1,0,1,0,0|1,0,1]=4 20561 B17R2.1066 N#CC1CCCCN1C(=O)c2ccccc2 1626a_100016989756_100000185807 [0,1,0,1,0,0|1,0,1]=4 20562 B17R2.1066 N#CC1CCCCN1C(=O)c2ccccc2 240690a_100016989756_100000185807 [0,1,0,1,0,0|1,0,1]=4 20563 B17R2.1066 O=C(c1ccccc1)N2CCCCC2CO 240690a_100000210821_100000185807 [0,1,0,1,0,0|1,0,0]=3 20564 B17R2.1066 O=C(c1ccccc1)N2CCOC[C@H]2CO 240690a_100000717676_100000185807 [0,1,0,1,0,0|2,0,0]=4 20565 B17R2.2264 O=C(c1ccccc1)C2CC/C=C\CCC2 1458a_100000185807_100021000466 [0,1,0,1,0,0|1,0,1]=4 20566 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 11a_100000211400_100000185807 [0,1,0,1,0,0|1,0,0]=3 20567 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 1626a_100000211400_100000185807 [0,1,0,1,0,0|1,0,0]=3 20568 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 240690a_100000211400_100000185807 [0,1,0,1,0,0|1,0,0]=3 20569 B17R2.2264 O=C(c1ccccc1)N2CCCCCCC2 527a_100000211400_100000185807 [0,1,0,1,0,0|1,0,0]=3 20570 B17R2.2342 CC(=NNC1CCCCC1)c2ccccc2 4a_100000709804_100000185851 [0,1,0,1,0,0|2,0,0]=4 20571 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000756946 [0,1,0,1,0,0|1,0,1]=4 20572 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100011215166_100000210327 [0,1,0,1,0,0|1,0,1]=4 20573 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000756946 [0,1,0,1,0,0|1,0,1]=4 20574 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100011215166_100000210327 [0,1,0,1,0,0|1,0,1]=4 20575 B17R2.2342 CC(OCC1CCCCC1)c2ccccc2 34a_100000212181_100000211855 [0,1,0,1,0,0|1,0,1]=4 20576 B17R2.2342 CC(OCC1CCCCC1)c2ccccc2 7a_100000212181_100000230085 [0,1,0,1,0,0|1,0,1]=4 20577 B17R2.2342 CC(OCC1CCCCN1)c2ccccc2 34a_100000210821_100000211855 [0,1,0,1,0,0|1,0,1]=4 20578 B17R2.2342 CC(OCC1CCCCO1)c2ccccc2 34a_100000211370_100000211855 [0,1,0,1,0,0|1,0,1]=4 20579 B17R2.2342 CC(OCC1CCCCO1)c2ccccc2 7a_100000211370_100000230085 [0,1,0,1,0,0|1,0,1]=4 20580 B17R2.2342 CC(OCC1CCCNC1)c2ccccc2 34a_100000211344_100000211855 [0,1,0,1,0,0|1,0,1]=4 20581 B17R2.2342 CC(OCC1CCCOC1)c2ccccc2 34a_100000741520_100000211855 [0,1,0,1,0,0|1,0,1]=4 20582 B17R2.2342 CC(OCC1CCNCC1)c2ccccc2 34a_100000738675_100000211855 [0,1,0,1,0,0|1,0,1]=4 20583 B17R2.2342 CC(OCC1CCOCC1)c2ccccc2 34a_100000749013_100000211855 [0,1,0,1,0,0|1,0,1]=4 20584 B17R2.2342 CC(OCC1CCSCC1)c2ccccc2 34a_100000070558_100000211855 [0,1,0,1,0,0|1,0,1]=4 20585 B17R2.2342 CC(OCC1CCSCC1)c2ccccc2 7a_100000070558_100000230085 [0,1,0,1,0,0|1,0,1]=4 20586 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 2230a_100000210012_100011935260 [0,1,0,1,0,0|2,0,0]=4 20587 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 269982a_100000210012_100011935260 [0,1,0,1,0,0|2,0,0]=4 20588 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 34a_100000210012_100011935260 [0,1,0,1,0,0|2,0,0]=4 20589 B17R2.2342 C[C@@H](OCC1CCCCC1)c2ccccc2 34a_100000761318_100000211423 [0,1,0,1,0,0|1,0,1]=4 20590 B17R2.2342 C[C@@H](OCC1CCCCC1)c2ccccc2 7a_100000761318_100000211423 [0,1,0,1,0,0|1,0,1]=4 20591 B17R2.2342 C[C@@H](OCC1CCCCO1)c2ccccc2 34a_100000761318_100000211543 [0,1,0,1,0,0|1,0,1]=4 20592 B17R2.2342 C[C@@H](OCC1CCCCO1)c2ccccc2 7a_100000761318_100000211543 [0,1,0,1,0,0|1,0,1]=4 20593 B17R2.2342 C[C@@H](OCC1CCCOC1)c2ccccc2 34a_100000761318_100000741521 [0,1,0,1,0,0|1,0,1]=4 20594 B17R2.2342 C[C@@H](OCC1CCCOC1)c2ccccc2 7a_100000761318_100000741521 [0,1,0,1,0,0|1,0,1]=4 20595 B17R2.2342 C[C@@H](OCC1CCOCC1)c2ccccc2 34a_100000761318_100000754603 [0,1,0,1,0,0|1,0,1]=4 20596 B17R2.2342 C[C@@H](OCC1CCOCC1)c2ccccc2 7a_100000761318_100000754603 [0,1,0,1,0,0|1,0,1]=4 20597 B17R2.2342 N[C@H](COC1CCCCC1)c2ccccc2 34a_100000751927_100000210327 [0,1,0,1,0,0|1,0,1]=4 20598 B17R2.2342 O=C(CCC1CCCCC1)c2ccccc2 1458a_100000185807_100011273959 [0,1,0,1,0,0|1,0,0]=3 20599 B17R2.2342 O=C(CCC1CCOCC1)c2ccccc2 1458a_100000185807_100011934994 [0,1,0,1,0,0|1,0,0]=3 20600 B17R2.2342 O=C(CCC1OCCCO1)c2ccccc2 1458a_100000185807_100000764188 [0,1,0,1,0,0|2,0,0]=4 20601 B17R2.2342 O=C(CCN1CCCCC1)c2ccccc2 1458a_100000185807_100000739454 [0,1,0,1,0,0|1,0,0]=3 20602 B17R2.2342 O=C(CCN1CCCOC1)c2ccccc2 2230a_100000131196_100000750707 [0,1,0,1,0,0|2,0,0]=4 20603 B17R2.2342 O=C(CCN1CCCOC1)c2ccccc2 269982a_100000131196_100000750707 [0,1,0,1,0,0|2,0,0]=4 20604 B17R2.2342 O=C(CCN1CCOCC1)c2ccccc2 1458a_100000185807_100000753993 [0,1,0,1,0,0|2,0,0]=4 20605 B17R2.2342 O=C(CCN1CCOCC1)c2ccccc2 2230a_100015191051_100000750707 [0,1,0,1,0,0|2,0,0]=4 20606 B17R2.2342 O=C(CCN1CCOCC1)c2ccccc2 269982a_100015191051_100000750707 [0,1,0,1,0,0|2,0,0]=4 20607 B17R2.2342 O=C(CCN1CCSCC1)c2ccccc2 2230a_100000737611_100000750707 [0,1,0,1,0,0|2,0,0]=4 20608 B17R2.2342 O=C(CCN1CCSCC1)c2ccccc2 269982a_100000737611_100000750707 [0,1,0,1,0,0|2,0,0]=4 20609 B17R2.2342 O=C(CNC1CCCCC1)c2ccccn2 34a_100000182618_100000027445 [0,1,0,1,0,0|2,0,0]=4 20610 B17R2.2342 O=C(COC1CCCCC1)c2ccccc2 1458a_100000185807_100011935260 [0,1,0,1,0,0|0,0,0]=2 20611 B17R2.2342 O=C(COC1CCCCC1)c2ccccc2 7a_100000210231_100000211460 [0,1,0,1,0,0|0,0,0]=2 20612 B17R2.2342 O=C(COC1CCCCC1)c2ccccn2 34a_100000210231_100000027445 [0,1,0,1,0,0|1,0,0]=3 20613 B17R2.2342 O=C(COC1CCCCC1)c2ccccn2 7a_100000210231_100000027445 [0,1,0,1,0,0|1,0,0]=3 20614 B17R2.2342 O=C(COC1CCCCC1)c2ccncc2 7a_100000210231_100015248511 [0,1,0,1,0,0|1,0,0]=3 20615 B17R2.2342 O=C(COC1CCCCO1)c2ccccn2 34a_100000033831_100000027445 [0,1,0,1,0,0|2,0,0]=4 20616 B17R2.2342 O=C(COC1CCCOC1)c2ccccn2 34a_100000754041_100000027445 [0,1,0,1,0,0|2,0,0]=4 20617 B17R2.2342 O=C(COC1CCCSC1)c2ccccc2 7a_100015962668_100000211460 [0,1,0,1,0,0|1,0,0]=3 20618 B17R2.2342 O=C(COC1CCCSC1)c2ccccn2 7a_100015962668_100000027445 [0,1,0,1,0,0|2,0,0]=4 20619 B17R2.2342 O=C(COC1CCCSC1)c2ccncc2 7a_100015962668_100015248511 [0,1,0,1,0,0|2,0,0]=4 20620 B17R2.2342 O=C(COC1CCOCC1)c2ccccn2 34a_100000744328_100000027445 [0,1,0,1,0,0|2,0,0]=4 20621 B17R2.2342 O=C(COC1CCSCC1)c2ccccc2 7a_100000731022_100000211460 [0,1,0,1,0,0|1,0,0]=3 20622 B17R2.2342 O=C(COC1CCSCC1)c2ccccn2 34a_100000731022_100000027445 [0,1,0,1,0,0|2,0,0]=4 20623 B17R2.2342 O=C(COC1CCSCC1)c2ccccn2 7a_100000731022_100000027445 [0,1,0,1,0,0|2,0,0]=4 20624 B17R2.2342 O=C(COC1CCSCC1)c2ccncc2 7a_100000731022_100015248511 [0,1,0,1,0,0|2,0,0]=4 20625 B17R2.2342 O=C(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000211460 [0,1,0,1,0,0|0,1,0]=3 20626 B17R2.2342 O=C(CSC1CCCCC1)c2ccccc2 62a_100000211460_100000210327 [0,1,0,1,0,0|0,1,0]=3 20627 B17R2.2342 O=C(CSC1CCCCC1)c2ccccn2 62a_100000027445_100000210327 [0,1,0,1,0,0|1,1,0]=4 20628 B17R2.2342 O=C(CSC1CCCCC1)c2ccccn2 62a_100000210327_100000027445 [0,1,0,1,0,0|1,1,0]=4 20629 B17R2.2342 O=C(CSC1CCCCC1)c2cccnc2 62a_100000210327_100000757877 [0,1,0,1,0,0|1,1,0]=4 20630 B17R2.2342 O=C(CSC1CCCCC1)c2cccnc2 62a_100000757877_100000210327 [0,1,0,1,0,0|1,1,0]=4 20631 B17R2.2342 O=C(CSC1CCCCC1)c2ccncc2 62a_100000027454_100000210327 [0,1,0,1,0,0|1,1,0]=4 20632 B17R2.2342 O=C(CSC1CCCCC1)c2ccncc2 62a_100000210327_100000027454 [0,1,0,1,0,0|1,1,0]=4 20633 B17R2.2342 O=C(CSC1CCCOC1)c2ccccc2 62a_100000211460_100000693364 [0,1,0,1,0,0|1,1,0]=4 20634 B17R2.2342 O=C(CSC1CCOCC1)c2ccccc2 62a_100000211460_100011324220 [0,1,0,1,0,0|1,1,0]=4 20635 B17R2.2342 O=C(CSC1CCSCC1)c2ccccc2 62a_100000211460_100000069128 [0,1,0,1,0,0|1,1,0]=4 20636 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 11a_100000210473_100000185807 [0,1,0,1,0,0|1,0,0]=3 20637 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 1626a_100000210473_100000185807 [0,1,0,1,0,0|1,0,0]=3 20638 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 240690a_100000210473_100000185807 [0,1,0,1,0,0|1,0,0]=3 20639 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 527a_100000210473_100000185807 [0,1,0,1,0,0|1,0,0]=3 20640 B17R2.2342 O=C(NCC1CCCCO1)c2ccccc2 11a_100000174945_100000185807 [0,1,0,1,0,0|1,0,0]=3 20641 B17R2.2342 O=C(NCC1CCCCO1)c2ccccc2 1626a_100000174945_100000185807 [0,1,0,1,0,0|1,0,0]=3 20642 B17R2.2342 O=C(NCC1CCCCO1)c2ccccc2 240690a_100000174945_100000185807 [0,1,0,1,0,0|1,0,0]=3 20643 B17R2.2342 O=C(NCC1CCCCO1)c2ccccc2 527a_100000174945_100000185807 [0,1,0,1,0,0|1,0,0]=3 20644 B17R2.2342 O=C(NCC1CCCOC1)c2ccccc2 11a_100000720124_100000185807 [0,1,0,1,0,0|1,0,0]=3 20645 B17R2.2342 O=C(NCC1CCCOC1)c2ccccc2 1626a_100000720124_100000185807 [0,1,0,1,0,0|1,0,0]=3 20646 B17R2.2342 O=C(NCC1CCCOC1)c2ccccc2 240690a_100000720124_100000185807 [0,1,0,1,0,0|1,0,0]=3 20647 B17R2.2342 O=C(NCC1CCCOC1)c2ccccc2 527a_100000720124_100000185807 [0,1,0,1,0,0|1,0,0]=3 20648 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 11a_100000746373_100000185807 [0,1,0,1,0,0|1,0,0]=3 20649 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 1626a_100000746373_100000185807 [0,1,0,1,0,0|1,0,0]=3 20650 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 240690a_100000746373_100000185807 [0,1,0,1,0,0|1,0,0]=3 20651 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 527a_100000746373_100000185807 [0,1,0,1,0,0|1,0,0]=3 20652 B17R2.2342 O=C(NCC1CCSCC1)c2ccccc2 11a_100015188806_100000185807 [0,1,0,1,0,0|1,0,0]=3 20653 B17R2.2342 O=C(NCC1CCSCC1)c2ccccc2 240690a_100015188806_100000185807 [0,1,0,1,0,0|1,0,0]=3 20654 B17R2.2342 O=C(NCC1CCSCC1)c2ccccc2 527a_100015188806_100000185807 [0,1,0,1,0,0|1,0,0]=3 20655 B17R2.2342 O=C(NC[C@H]1COCCO1)c2ccccc2 11a_100010981119_100000185807 [0,1,0,1,0,0|2,0,0]=4 20656 B17R2.2342 O=C(NC[C@H]1COCCO1)c2ccccc2 1626a_100010981119_100000185807 [0,1,0,1,0,0|2,0,0]=4 20657 B17R2.2342 O=C(NC[C@H]1COCCO1)c2ccccc2 240690a_100010981119_100000185807 [0,1,0,1,0,0|2,0,0]=4 20658 B17R2.2342 O=C(NC[C@H]1COCCO1)c2ccccc2 527a_100010981119_100000185807 [0,1,0,1,0,0|2,0,0]=4 20659 B17R2.2342 O=C(NN=C1CCCCC1)c2ccccc2 4a_100000184135_100000210434 [0,1,0,1,0,0|1,0,1]=4 20660 B17R2.2342 O=C(NNC1CCCCC1)c2ccccc2 22a_100000709804_100000185807 [0,1,0,1,0,0|1,0,0]=3 20661 B17R2.2342 O=C(NNC1CCOCC1)c2ccccc2 22a_100000687383_100000185807 [0,1,0,1,0,0|2,0,0]=4 20662 B17R2.2342 O=C(OCN1CC=CCC1)c2ccccc2 269982a_100000698166_100000073877 [0,1,0,1,0,0|0,0,2]=4 20663 B17R2.2342 O=C(OCN1CCCOC1)c2ccccc2 269982a_100000131196_100000073877 [0,1,0,1,0,0|1,0,0]=3 20664 B17R2.2342 O=C(OCN1CCOCC1)c2ccccc2 269982a_100015191051_100000073877 [0,1,0,1,0,0|1,0,0]=3 20665 B17R2.2342 O=C(OCN1CCSCC1)c2ccccc2 269982a_100000737611_100000073877 [0,1,0,1,0,0|1,0,0]=3 20666 B17R2.2342 O=S(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000031784 [0,1,0,1,0,0|1,1,0]=4 20667 B17R2.2342 OC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000185958 [0,1,0,1,0,0|0,0,2]=4 20668 B17R2.2342 OC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000185958 [0,1,0,1,0,0|0,0,2]=4 20669 B17R2.2342 O[C@H](COC1CCCCC1)c2ccccc2 34a_100000210231_100011933945 [0,1,0,1,0,0|0,0,2]=4 20670 B17R2.2342 O[C@H](COC1CCCCC1)c2ccccc2 7a_100000210231_100011933945 [0,1,0,1,0,0|0,0,2]=4 20671 B17R2.2845 CCC1CCCN1CC(=O)c2ccccc2 269982a_100000754278_100000211460 [0,1,0,1,0,0|1,0,0]=3 20672 B17R2.2845 CCC1CCCN1CC(=O)c2ccccn2 269982a_100000754278_100000027445 [0,1,0,1,0,0|2,0,0]=4 20673 B17R2.2845 CCC1CCCN1CC(=O)c2ccccn2 34a_100000754278_100000027445 [0,1,0,1,0,0|2,0,0]=4 20674 B17R2.2845 CCC1CCCN1CC(=O)c2cccnc2 269982a_100000754278_100000757877 [0,1,0,1,0,0|2,0,0]=4 20675 B17R2.2845 CCC1CCCN1CC(=O)c2ccncc2 269982a_100000754278_100000027454 [0,1,0,1,0,0|2,0,0]=4 20676 B17R2.2845 CCC1CCCN1CS(=O)c2ccccc2 269982a_100000754278_100000031784 [0,1,0,1,0,0|2,0,0]=4 20677 B17R2.2845 O=C(CN1CCC[C@@H]1CO)c2ccccc2 269982a_100000745186_100000211460 [0,1,0,1,0,0|2,0,0]=4 20678 B17R2.3426 CC(OC1CCCCC1C)c2ccccc2 34a_100000211207_100000211855 [0,1,0,1,0,0|1,0,1]=4 20679 B17R2.3426 CC(OC1CCCCC1C)c2ccccc2 7a_100000211207_100000230085 [0,1,0,1,0,0|1,0,1]=4 20680 B17R2.3426 CC(OC1CCCCC1Cl)c2ccccc2 34a_100000038908_100000211855 [0,1,0,1,0,0|1,0,1]=4 20681 B17R2.3426 CC(OC1CCCCC1Cl)c2ccccc2 7a_100000038908_100000230085 [0,1,0,1,0,0|1,0,1]=4 20682 B17R2.3426 CC(OC1CCNCC1C)c2ccccc2 34a_100011998114_100000211855 [0,1,0,1,0,0|1,0,1]=4 20683 B17R2.3426 CC(OC1CNCCC1C)c2ccccc2 34a_100000696640_100000211855 [0,1,0,1,0,0|1,0,1]=4 20684 B17R2.3426 CC(O[C@@H]1CCCC[C@H]1F)c2ccccc2 34a_100009816020_100000211855 [0,1,0,1,0,0|1,0,1]=4 20685 B17R2.3426 CC(O[C@@H]1CCCC[C@H]1F)c2ccccc2 7a_100009816020_100000230085 [0,1,0,1,0,0|1,0,1]=4 20686 B17R2.3426 CC(O[C@H]1CCCC[C@H]1N)c2ccccc2 34a_100015191688_100000211855 [0,1,0,1,0,0|1,0,1]=4 20687 B17R2.3426 CC1CCCCC1NC(=O)c2ccccc2 11a_100000211402_100000185807 [0,1,0,1,0,0|1,0,0]=3 20688 B17R2.3426 CC1CCCCC1NC(=O)c2ccccc2 1626a_100000211402_100000185807 [0,1,0,1,0,0|1,0,0]=3 20689 B17R2.3426 CC1CCCCC1NC(=O)c2ccccc2 240690a_100000211402_100000185807 [0,1,0,1,0,0|1,0,0]=3 20690 B17R2.3426 CC1CCCCC1NC(=O)c2ccccc2 527a_100000211402_100000185807 [0,1,0,1,0,0|1,0,0]=3 20691 B17R2.3426 CC1CCCCN1CC(=O)c2ccccc2 269982a_100000211376_100000211460 [0,1,0,1,0,0|1,0,0]=3 20692 B17R2.3426 CC1CCCCN1CC(=O)c2ccccn2 269982a_100000211376_100000027445 [0,1,0,1,0,0|2,0,0]=4 20693 B17R2.3426 CC1CCCCN1CC(=O)c2ccccn2 34a_100000211376_100000027445 [0,1,0,1,0,0|2,0,0]=4 20694 B17R2.3426 CC1CCCCN1CC(=O)c2cccnc2 269982a_100000211376_100000757877 [0,1,0,1,0,0|2,0,0]=4 20695 B17R2.3426 CC1CCCCN1CC(=O)c2ccncc2 269982a_100000211376_100000027454 [0,1,0,1,0,0|2,0,0]=4 20696 B17R2.3426 CC1CCCCN1CS(=O)c2ccccc2 269982a_100000211376_100000031784 [0,1,0,1,0,0|2,0,0]=4 20697 B17R2.3426 CN1CCCCC1CC(=O)c2ccccc2 1458a_100000185807_100015185383 [0,1,0,1,0,0|1,0,0]=3 20698 B17R2.3426 C[C@@H](OC1CCCCC1F)c2ccccc2 34a_100000761318_100015423560 [0,1,0,1,0,0|1,0,1]=4 20699 B17R2.3426 C[C@@H](OC1CCCCC1O)c2ccccc2 34a_100000761318_100000038908 [0,1,0,1,0,0|1,0,1]=4 20700 B17R2.3426 C[C@H]1COCCN1CC(=O)c2ccccc2 269982a_100009815349_100000211460 [0,1,0,1,0,0|2,0,0]=4 20701 B17R2.3426 O=C(N[C@@H]1CCCC[C@@H]1O)c2ccccc2 240690a_100015191688_100000185807 [0,1,0,1,0,0|1,0,0]=3 20702 B17R2.3426 O=C(N[C@@H]1CCCC[C@@H]1O)c2ccccc2 527a_100015191688_100000185807 [0,1,0,1,0,0|1,0,0]=3 20703 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1F)c2ccccc2 11a_100015195156_100000185807 [0,1,0,1,0,0|1,0,0]=3 20704 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1F)c2ccccc2 1626a_100015195156_100000185807 [0,1,0,1,0,0|1,0,0]=3 20705 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1F)c2ccccc2 240690a_100015195156_100000185807 [0,1,0,1,0,0|1,0,0]=3 20706 B17R2.3426 O=C(N[C@@H]1CCCC[C@H]1F)c2ccccc2 527a_100015195156_100000185807 [0,1,0,1,0,0|1,0,0]=3 20707 B17R2.3426 O=C(N[C@@H]1CCOC[C@@H]1O)c2ccccc2 11a_100016994285_100000185807 [0,1,0,1,0,0|2,0,0]=4 20708 B17R2.3426 O=C(N[C@@H]1CCOC[C@@H]1O)c2ccccc2 240690a_100016994285_100000185807 [0,1,0,1,0,0|2,0,0]=4 20709 B17R2.3426 O=C(N[C@@H]1CCOC[C@@H]1O)c2ccccc2 527a_100016994285_100000185807 [0,1,0,1,0,0|2,0,0]=4 20710 B17R2.3426 O=C(N[C@H]1CCOC[C@@H]1F)c2ccccc2 11a_100016994078_100000185807 [0,1,0,1,0,0|2,0,0]=4 20711 B17R2.3426 O=C(N[C@H]1CCOC[C@@H]1F)c2ccccc2 1626a_100016994078_100000185807 [0,1,0,1,0,0|2,0,0]=4 20712 B17R2.3426 O=C(N[C@H]1CCOC[C@@H]1F)c2ccccc2 240690a_100016994078_100000185807 [0,1,0,1,0,0|2,0,0]=4 20713 B17R2.3426 O=C(N[C@H]1CCOC[C@@H]1F)c2ccccc2 527a_100016994078_100000185807 [0,1,0,1,0,0|2,0,0]=4 20714 B17R2.3426 O=C(N[C@H]1COCC[C@@H]1O)c2ccccc2 11a_100015739063_100000185807 [0,1,0,1,0,0|2,0,0]=4 20715 B17R2.3426 O=C(N[C@H]1COCC[C@@H]1O)c2ccccc2 240690a_100015739063_100000185807 [0,1,0,1,0,0|2,0,0]=4 20716 B17R2.3519 CC(COC1CCCC1C)c2ccccc2 34a_100011216460_100000756946 [0,1,0,1,0,0|1,0,1]=4 20717 B17R2.3519 CC(COC1CCCC1C)c2ccccc2 7a_100011216460_100000756946 [0,1,0,1,0,0|1,0,1]=4 20718 B17R2.3519 CC(OCC1CCCN1C)c2ccccc2 34a_100000743107_100000211855 [0,1,0,1,0,0|1,0,1]=4 20719 B17R2.3519 CC1CCCC1=NNC(=O)c2ccccc2 4a_100000184135_100000752053 [0,1,0,1,0,0|1,0,1]=4 20720 B17R2.3519 CC1CCCC1OCC(=O)c2ccccc2 7a_100011216460_100000211460 [0,1,0,1,0,0|0,0,0]=2 20721 B17R2.3519 CC1CCCC1OCC(=O)c2ccccn2 34a_100011216460_100000027445 [0,1,0,1,0,0|1,0,0]=3 20722 B17R2.3519 CC1CCCC1OCC(=O)c2ccccn2 7a_100011216460_100000027445 [0,1,0,1,0,0|1,0,0]=3 20723 B17R2.3519 CC1CCCC1OCC(=O)c2ccncc2 7a_100011216460_100015248511 [0,1,0,1,0,0|1,0,0]=3 20724 B17R2.3519 CC1CCCC1OCC(O)c2ccccc2 34a_100011216460_100000185958 [0,1,0,1,0,0|0,0,2]=4 20725 B17R2.3519 CC1CCCC1OCC(O)c2ccccc2 7a_100011216460_100000185958 [0,1,0,1,0,0|0,0,2]=4 20726 B17R2.3519 CC1CCCC1OC[C@@H](O)c2ccccc2 34a_100011216460_100011933945 [0,1,0,1,0,0|0,0,2]=4 20727 B17R2.3519 CC1CCCC1OC[C@@H](O)c2ccccc2 7a_100011216460_100011933945 [0,1,0,1,0,0|0,0,2]=4 20728 B17R2.3519 CC1SCCN1CCC(=O)c2ccccc2 2230a_200011216479_100000750707 [0,1,0,1,0,0|2,0,0]=4 20729 B17R2.3519 CC1SCCN1CCC(=O)c2ccccc2 269982a_200011216479_100000750707 [0,1,0,1,0,0|2,0,0]=4 20730 B17R2.3519 CC1SCCN1COC(=O)c2ccccc2 269982a_200011216479_100000073877 [0,1,0,1,0,0|1,0,0]=3 20731 B17R2.3519 CN1CCCC1CCC(=O)c2ccccc2 1458a_100000185807_100000005710 [0,1,0,1,0,0|1,0,0]=3 20732 B17R2.3519 CN1CCC[C@H]1CNC(=O)c2ccccc2 240690a_100009821018_100000185807 [0,1,0,1,0,0|1,0,0]=3 20733 B17R2.3519 CN1CCC[C@H]1CNC(=O)c2ccccc2 527a_100009821018_100000185807 [0,1,0,1,0,0|1,0,0]=3 20734 B17R2.3519 C[C@@H]1CCCN1CCC(=O)c2ccccc2 2230a_100015189458_100000750707 [0,1,0,1,0,0|1,0,0]=3 20735 B17R2.3519 C[C@@H]1CCCN1CCC(=O)c2ccccc2 269982a_100015189458_100000750707 [0,1,0,1,0,0|1,0,0]=3 20736 B17R2.3519 C[C@@H]1CCCN1CCS(=O)c2ccccc2 2230a_100015189458_100000740319 [0,1,0,1,0,0|2,0,0]=4 20737 B17R2.3519 C[C@@H]1CCCN1CCS(=O)c2ccccc2 269982a_100015189458_100000740319 [0,1,0,1,0,0|2,0,0]=4 20738 B17R2.3519 C[C@@H]1CCCN1COC(=O)c2ccccc2 269982a_100015189458_100000073877 [0,1,0,1,0,0|0,0,0]=2 20739 B17R2.3519 C[C@@H]1CNC[C@@H]1OCC(=O)c2ccccn2 34a_200015306588_100000027445 [0,1,0,1,0,0|2,0,0]=4 20740 B17R2.3519 C[C@H]1CCCN1CCC(=O)c2ccccc2 2230a_100020605311_100000750707 [0,1,0,1,0,0|1,0,0]=3 20741 B17R2.3519 C[C@H]1CCCN1CCC(=O)c2ccccc2 269982a_100020605311_100000750707 [0,1,0,1,0,0|1,0,0]=3 20742 B17R2.3519 C[C@H]1CCCN1CCS(=O)c2ccccc2 2230a_100020605311_100000740319 [0,1,0,1,0,0|2,0,0]=4 20743 B17R2.3519 C[C@H]1CCCN1CCS(=O)c2ccccc2 269982a_100020605311_100000740319 [0,1,0,1,0,0|2,0,0]=4 20744 B17R2.3519 C[C@H]1CCCN1COC(=O)c2ccccc2 269982a_100020605311_100000073877 [0,1,0,1,0,0|0,0,0]=2 20745 B17R2.3519 N[C@H]1CCC[C@@H]1OCC(=O)c2ccccn2 34a_100000748460_100000027445 [0,1,0,1,0,0|2,0,0]=4 20746 B17R2.3519 O=C(CO[C@@H]1CCC[C@H]1Cl)c2ccccn2 34a_200016002552_100000027445 [0,1,0,1,0,0|2,0,0]=4 20747 B17R2.3519 O=C(CS[C@@H]1CCC[C@H]1O)c2ccccc2 62a_100000211460_200016002552 [0,1,0,1,0,0|1,1,0]=4 20748 B17R2.3519 O=C(CS[C@@H]1CCC[C@H]1O)c2ccccc2 62a_200016002552_100000211460 [0,1,0,1,0,0|1,1,0]=4 20749 B17R2.3856 CC1CC1COCCC(=O)c2ccccc2 7a_100000744939_100000750707 [0,1,0,1,0,0|1,0,0]=3 20750 B17R2.3856 CC1CC1COCCS(=O)c2ccccc2 7a_100000744939_100000740319 [0,1,0,1,0,0|2,0,0]=4 20751 B17R2.3856 CC1CC1COCOC(=O)c2ccccc2 7a_100000744939_100000073877 [0,1,0,1,0,0|0,0,0]=2 20752 B17R2.3856 O=C(CCCN[C@@H]1C[C@@H]1F)c2ccccc2 2230a_100015190264_100000211006 [0,1,0,1,0,0|2,0,0]=4 20753 B17R2.3856 O=C(CCCN[C@@H]1C[C@H]1F)c2ccccc2 2230a_100025746932_100000211006 [0,1,0,1,0,0|2,0,0]=4 20754 B17R2.3856 O=C(OCCN[C@@H]1C[C@H]1F)c2ccccc2 34a_100025746932_100009812718 [0,1,0,1,0,0|1,0,0]=3 20755 B17R2.4082 COC[C@@H]1CCCN1C(=O)c2ccccc2 11a_100020646714_100000185807 [0,1,0,1,0,0|1,0,0]=3 20756 B17R2.4082 COC[C@@H]1CCCN1C(=O)c2ccccc2 1626a_100020646714_100000185807 [0,1,0,1,0,0|1,0,0]=3 20757 B17R2.4082 COC[C@@H]1CCCN1C(=O)c2ccccc2 240690a_100020646714_100000185807 [0,1,0,1,0,0|1,0,0]=3 20758 B17R2.4184 COCC1CCN1CC(=O)c2ccccc2 269982a_100015195929_100000211460 [0,1,0,1,0,0|2,0,0]=4 20759 B17R2.5326 CC1CCN1CCCC(=O)c2ccccc2 269982a_100000755817_100000211006 [0,1,0,1,0,0|1,0,0]=3 20760 B17R2.5326 CC1CCN1CCNC(=O)c2ccccc2 269982a_100000755817_200011215302 [0,1,0,1,0,0|1,0,0]=3 20761 B17R2.5326 CC1CCN1CCOC(=O)c2ccccc2 269982a_100000755817_100009812718 [0,1,0,1,0,0|0,0,0]=2 20762 B17R2.5326 CC1CCN1CCOC(=O)c2ccccc2 34a_100000755817_100009812718 [0,1,0,1,0,0|0,0,0]=2 20763 B17R2.5326 O=C(OCSC1CCC1=O)c2ccccc2 62a_100000073877_100009892977 [0,1,0,1,0,0|1,0,1]=4 20764 B17R2.5326 O=C(OCSC1CCC1=O)c2ccccc2 62a_100009892977_100000073877 [0,1,0,1,0,0|1,0,1]=4 20765 B17R2.5716 CC(OCCCNC1CC1)c2ccccc2 34a_100000206020_100000211595 [0,1,0,1,0,0|1,0,1]=4 20766 B17R2.5716 O=C(CCCNCC1CC1)c2ccccc2 2230a_100000735609_100000211006 [0,1,0,1,0,0|1,0,0]=3 20767 B17R2.5716 O=C(CCCSCC1CC1)c2ccccc2 62a_100000211006_100000742324 [0,1,0,1,0,0|1,0,0]=3 20768 B17R2.5716 O=C(CCCSCC1CC1)c2ccccc2 62a_100000756562_100000211006 [0,1,0,1,0,0|1,0,0]=3 20769 B17R2.5716 O=C(CCCSCC1CO1)c2ccccc2 62a_100000211006_102125554688 [0,1,0,1,0,0|2,0,0]=4 20770 B17R2.5716 O=C(CCCSCC1CO1)c2ccccc2 62a_102125554688_100000211006 [0,1,0,1,0,0|2,0,0]=4 20771 B17R2.5716 O=C(CCCSCC1CS1)c2ccccc2 62a_100000031435_100000211006 [0,1,0,1,0,0|2,0,0]=4 20772 B17R2.5716 O=C(CCCSCC1CS1)c2ccccc2 62a_100000211006_100000031435 [0,1,0,1,0,0|2,0,0]=4 20773 B17R2.5716 O=C(CCCSC[C@@H]1CO1)c2ccccc2 62a_100000211006_100000745022 [0,1,0,1,0,0|2,0,0]=4 20774 B17R2.5716 O=C(CCCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100000211006 [0,1,0,1,0,0|2,0,0]=4 20775 B17R2.5716 O=C(CCOCCC1CC1)c2ccccc2 7a_100000754188_100000750707 [0,1,0,1,0,0|1,0,0]=3 20776 B17R2.5716 O=C(CCSCCC1CC1)c2ccccc2 62a_100000750707_100000764125 [0,1,0,1,0,0|1,0,0]=3 20777 B17R2.5716 O=C(CCSCCC1CC1)c2ccccc2 62a_100000764125_100000750707 [0,1,0,1,0,0|1,0,0]=3 20778 B17R2.5716 O=C(CCSCCC1CO1)c2ccccc2 62a_100000732470_100000750707 [0,1,0,1,0,0|2,0,0]=4 20779 B17R2.5716 O=C(CCSCCC1CO1)c2ccccc2 62a_100000750707_100000732470 [0,1,0,1,0,0|2,0,0]=4 20780 B17R2.5716 O=C(COCC#CC1CC1)c2ccccc2 7a_100000083941_100000211460 [0,1,0,1,0,0|0,0,2]=4 20781 B17R2.5716 O=C(COCCNC1CC1)c2ccccn2 34a_100000738766_100000027445 [0,1,0,1,0,0|2,0,0]=4 20782 B17R2.5716 O=C(CSCCCC1CO1)c2ccccc2 62a_100000211460_100000733510 [0,1,0,1,0,0|1,1,0]=4 20783 B17R2.5716 O=C(CSCCCC1CO1)c2ccccc2 62a_100000733510_100000211460 [0,1,0,1,0,0|1,1,0]=4 20784 B17R2.5716 O=C(NCCNCC1CC1)c2ccccc2 2230a_100000736134_100000742324 [0,1,0,1,0,0|1,0,0]=3 20785 B17R2.5716 O=C(NCCNCC1CC1)c2ccccc2 269862a_100000736134_100000741477 [0,1,0,1,0,0|1,0,0]=3 20786 B17R2.5716 O=C(NCCNCC1CC1)c2ccncc2 2230a_200011198449_100000742324 [0,1,0,1,0,0|2,0,0]=4 20787 B17R2.5716 O=C(NCCNCC1CC1)c2ccncc2 269862a_200011198449_100000741477 [0,1,0,1,0,0|2,0,0]=4 20788 B17R2.5716 O=C(NCCNCC1CO1)c2ccccc2 2230a_100000736134_100011216344 [0,1,0,1,0,0|2,0,0]=4 20789 B17R2.5716 O=C(NCCOCC1CC1)c2ccccc2 34a_200000158897_100000742324 [0,1,0,1,0,0|1,0,0]=3 20790 B17R2.5716 O=C(NCCOCC1CC1)c2ccccc2 7a_200000158897_100000742324 [0,1,0,1,0,0|1,0,0]=3 20791 B17R2.5716 O=C(NCCOCC1CO1)c2ccccc2 34a_200000158897_102125554688 [0,1,0,1,0,0|2,0,0]=4 20792 B17R2.5716 O=C(NCCOCC1CO1)c2ccccc2 7a_200000158897_102125554688 [0,1,0,1,0,0|2,0,0]=4 20793 B17R2.5716 O=C(NCCOCC1CS1)c2ccccc2 7a_200000158897_100000031435 [0,1,0,1,0,0|2,0,0]=4 20794 B17R2.5716 O=C(NCCOC[C@@H]1CO1)c2ccccc2 7a_200000158897_100000745022 [0,1,0,1,0,0|2,0,0]=4 20795 B17R2.5716 O=C(NCCSCC1CC1)c2ccccc2 62a_100000756562_200011215302 [0,1,0,1,0,0|1,0,0]=3 20796 B17R2.5716 O=C(NCCSCC1CC1)c2ccccc2 62a_200011215302_100000742324 [0,1,0,1,0,0|1,0,0]=3 20797 B17R2.5716 O=C(NCCSCC1CO1)c2ccccc2 62a_102125554688_200011215302 [0,1,0,1,0,0|2,0,0]=4 20798 B17R2.5716 O=C(NCCSCC1CO1)c2ccccc2 62a_200011215302_102125554688 [0,1,0,1,0,0|2,0,0]=4 20799 B17R2.5716 O=C(NCCSCC1CS1)c2ccccc2 62a_100000031435_200011215302 [0,1,0,1,0,0|2,0,0]=4 20800 B17R2.5716 O=C(NCCSCC1CS1)c2ccccc2 62a_200011215302_100000031435 [0,1,0,1,0,0|2,0,0]=4 20801 B17R2.5716 O=C(NCCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_200011215302 [0,1,0,1,0,0|2,0,0]=4 20802 B17R2.5716 O=C(NCCSC[C@@H]1CO1)c2ccccc2 62a_200011215302_100000745022 [0,1,0,1,0,0|2,0,0]=4 20803 B17R2.5716 O=C(OCCCNC1CC1)c2ccccc2 34a_100000212008_200009892979 [0,1,0,1,0,0|0,0,0]=2 20804 B17R2.5716 O=C(OCCCSC1CC1)c2ccccc2 62a_200009892979_100000211595 [0,1,0,1,0,0|0,0,0]=2 20805 B17R2.5716 O=C(OCCNCC1CC1)c2ccccc2 34a_100000735609_100009812718 [0,1,0,1,0,0|0,0,0]=2 20806 B17R2.5716 O=C(OCCOCC1CC1)c2ccccc2 34a_100000211283_100009812718 [0,1,0,1,0,0|0,0,0]=2 20807 B17R2.5716 O=C(OCCOCC1CC1)c2ccccc2 7a_100000025465_100000742324 [0,1,0,1,0,0|0,0,0]=2 20808 B17R2.5716 O=C(OCCOCC1CO1)c2ccccc2 7a_100000025465_102125554688 [0,1,0,1,0,0|1,0,0]=3 20809 B17R2.5716 O=C(OCCOCC1CS1)c2ccccc2 7a_100000025465_100000031435 [0,1,0,1,0,0|1,0,0]=3 20810 B17R2.5716 O=C(OCCOC[C@@H]1CO1)c2ccccc2 34a_100000757423_100009812718 [0,1,0,1,0,0|1,0,0]=3 20811 B17R2.5716 O=C(OCCOC[C@@H]1CO1)c2ccccc2 7a_100000025465_100000745022 [0,1,0,1,0,0|1,0,0]=3 20812 B17R2.5716 O=C(OCCSCC1CC1)c2ccccc2 62a_100000756562_100009812718 [0,1,0,1,0,0|0,0,0]=2 20813 B17R2.5716 O=C(OCCSCC1CC1)c2ccccc2 62a_100009812718_100000742324 [0,1,0,1,0,0|0,0,0]=2 20814 B17R2.5716 O=C(OCCSCC1CO1)c2ccccc2 62a_100009812718_102125554688 [0,1,0,1,0,0|1,0,0]=3 20815 B17R2.5716 O=C(OCCSCC1CO1)c2ccccc2 62a_102125554688_100009812718 [0,1,0,1,0,0|1,0,0]=3 20816 B17R2.5716 O=C(OCCSCC1CS1)c2ccccc2 62a_100000031435_100009812718 [0,1,0,1,0,0|1,0,0]=3 20817 B17R2.5716 O=C(OCCSCC1CS1)c2ccccc2 62a_100009812718_100000031435 [0,1,0,1,0,0|1,0,0]=3 20818 B17R2.5716 O=C(OCCSC[C@@H]1CO1)c2ccccc2 62a_100000745022_100009812718 [0,1,0,1,0,0|1,0,0]=3 20819 B17R2.5716 O=C(OCCSC[C@@H]1CO1)c2ccccc2 62a_100009812718_100000745022 [0,1,0,1,0,0|1,0,0]=3 20820 B17R2.5716 O=C(OCOCCC1CC1)c2ccccc2 7a_100000754188_100000073877 [0,1,0,1,0,0|0,0,0]=2 20821 B17R2.5716 O=C(OCSCCC1CC1)c2ccccc2 62a_100000073877_100000764125 [0,1,0,1,0,0|0,0,0]=2 20822 B17R2.5716 O=C(OCSCCC1CC1)c2ccccc2 62a_100000764125_100000073877 [0,1,0,1,0,0|0,0,0]=2 20823 B17R2.5716 O=C(OCSCCC1CO1)c2ccccc2 62a_100000073877_100000732470 [0,1,0,1,0,0|1,0,0]=3 20824 B17R2.5716 O=C(OCSCCC1CO1)c2ccccc2 62a_100000732470_100000073877 [0,1,0,1,0,0|1,0,0]=3 20825 B17R2.5716 O=S(CCOCCC1CC1)c2ccccc2 7a_100000754188_100000740319 [0,1,0,1,0,0|2,0,0]=4 20826 B17R2.5716 O=S(CCSCCC1CC1)c2ccccc2 62a_100000764125_100000740319 [0,1,0,1,0,0|2,0,0]=4 20827 B17R2.5721 O=C(CCCNC1CCC1)c2ccccc2 2230a_100000749019_100000211006 [0,1,0,1,0,0|1,0,0]=3 20828 B17R2.5721 O=C(CCCNC1COC1)c2ccccc2 2230a_100016991112_100000211006 [0,1,0,1,0,0|2,0,0]=4 20829 B17R2.5721 O=C(CCCOC1CSC1)c2ccccc2 7a_100000072292_100000211006 [0,1,0,1,0,0|2,0,0]=4 20830 B17R2.5721 O=C(CCCSC1CCC1)c2ccccc2 62a_100000211006_100000749161 [0,1,0,1,0,0|1,0,0]=3 20831 B17R2.5721 O=C(CCCSC1COC1)c2ccccc2 62a_100000211006_100009818527 [0,1,0,1,0,0|2,0,0]=4 20832 B17R2.5721 O=C(CCNCC1CCC1)c2ccccc2 2230a_100000738700_100000750707 [0,1,0,1,0,0|1,0,0]=3 20833 B17R2.5721 O=C(CCNCC1COC1)c2ccccc2 2230a_100015281925_100000750707 [0,1,0,1,0,0|2,0,0]=4 20834 B17R2.5721 O=C(CCNC[C@@H]1CCO1)c2ccccc2 2230a_100020831831_100000750707 [0,1,0,1,0,0|2,0,0]=4 20835 B17R2.5721 O=C(CCSCC1CCC1)c2ccccc2 62a_100000750707_100000763275 [0,1,0,1,0,0|1,0,0]=3 20836 B17R2.5721 O=C(CCSCC1CCC1)c2ccccc2 62a_100000763275_100000750707 [0,1,0,1,0,0|1,0,0]=3 20837 B17R2.5721 O=C(CCSCC1CCO1)c2ccccc2 62a_100000103362_100000750707 [0,1,0,1,0,0|2,0,0]=4 20838 B17R2.5721 O=C(CCSCC1CCO1)c2ccccc2 62a_100000750707_100000103362 [0,1,0,1,0,0|2,0,0]=4 20839 B17R2.5721 O=C(CCSCC1COC1)c2ccccc2 62a_100000750707_100010264016 [0,1,0,1,0,0|2,0,0]=4 20840 B17R2.5721 O=C(CCSCC1COC1)c2ccccc2 62a_100010264016_100000750707 [0,1,0,1,0,0|2,0,0]=4 20841 B17R2.5721 O=C(COCCC1COC1)c2ccccn2 34a_100009855314_100000027445 [0,1,0,1,0,0|2,0,0]=4 20842 B17R2.5721 O=C(NCCNC1CCC1)c2ccccc2 270004a_100000736134_100000241760 [0,1,0,1,0,0|1,0,0]=3 20843 B17R2.5721 O=C(NCCNC1CCC1)c2ccncc2 270004a_200011198449_100000241760 [0,1,0,1,0,0|2,0,0]=4 20844 B17R2.5721 O=C(NCCOC1CCC1)c2ccccc2 34a_200000158897_100000749161 [0,1,0,1,0,0|1,0,0]=3 20845 B17R2.5721 O=C(NCCOC1COC1)c2ccccc2 34a_200000158897_100009818527 [0,1,0,1,0,0|2,0,0]=4 20846 B17R2.5721 O=C(NCCOC1COC1)c2ccccc2 7a_200000158897_100009818527 [0,1,0,1,0,0|2,0,0]=4 20847 B17R2.5721 O=C(NCCOC1CSC1)c2ccccc2 7a_100000072292_200011215302 [0,1,0,1,0,0|2,0,0]=4 20848 B17R2.5721 O=C(NCCSC1CCC1)c2ccccc2 62a_200011215302_100000749161 [0,1,0,1,0,0|1,0,0]=3 20849 B17R2.5721 O=C(NCCSC1COC1)c2ccccc2 62a_200011215302_100009818527 [0,1,0,1,0,0|2,0,0]=4 20850 B17R2.5721 O=C(OCCCN1CCC1)c2ccccc2 269982a_100000754969_200009892979 [0,1,0,1,0,0|0,0,0]=2 20851 B17R2.5721 O=C(OCCNC1CCC1)c2ccccc2 34a_100000749019_100009812718 [0,1,0,1,0,0|0,0,0]=2 20852 B17R2.5721 O=C(OCCOC1CCC1)c2ccccc2 34a_100000748187_100009812718 [0,1,0,1,0,0|0,0,0]=2 20853 B17R2.5721 O=C(OCCOC1COC1)c2ccccc2 7a_100000025465_100009818527 [0,1,0,1,0,0|1,0,0]=3 20854 B17R2.5721 O=C(OCCOC1CSC1)c2ccccc2 7a_100000072292_100000184176 [0,1,0,1,0,0|1,0,0]=3 20855 B17R2.5721 O=C(OCCSC1CCC1)c2ccccc2 62a_100009812718_100000749161 [0,1,0,1,0,0|0,0,0]=2 20856 B17R2.5721 O=C(OCCSC1COC1)c2ccccc2 62a_100009812718_100009818527 [0,1,0,1,0,0|1,0,0]=3 20857 B17R2.5721 O=C(OCSCC1CCC1)c2ccccc2 62a_100000073877_100000763275 [0,1,0,1,0,0|0,0,0]=2 20858 B17R2.5721 O=C(OCSCC1CCC1)c2ccccc2 62a_100000763275_100000073877 [0,1,0,1,0,0|0,0,0]=2 20859 B17R2.5721 O=C(OCSCC1CCO1)c2ccccc2 62a_100000073877_100000103362 [0,1,0,1,0,0|1,0,0]=3 20860 B17R2.5721 O=C(OCSCC1CCO1)c2ccccc2 62a_100000103362_100000073877 [0,1,0,1,0,0|1,0,0]=3 20861 B17R2.5721 O=C(OCSCC1COC1)c2ccccc2 62a_100000073877_100010264016 [0,1,0,1,0,0|1,0,0]=3 20862 B17R2.5721 O=C(OCSCC1COC1)c2ccccc2 62a_100010264016_100000073877 [0,1,0,1,0,0|1,0,0]=3 20863 B17R2.5721 O=S(CCNCC1CCC1)c2ccccc2 2230a_100000738700_100000740319 [0,1,0,1,0,0|2,0,0]=4 20864 B17R2.5721 O=S(CCSCC1CCC1)c2ccccc2 62a_100000763275_100000740319 [0,1,0,1,0,0|2,0,0]=4 20865 B17R2.12118 CCCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210211 [0,1,0,1,0,0|1,0,0]=3 20866 B17R2.12118 CCCNN=C1COC(=O)c2c1cccc2 4a_100000740057_200010632819 [0,1,0,1,0,0|1,0,1]=4 20867 B17R2.12118 COCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000233755 [0,1,0,1,0,0|2,0,0]=4 20868 B17R2.12118 CSCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000212216 [0,1,0,1,0,0|2,0,0]=4 20869 B17R2.12118 O=C1CCC(c2c1cccc2)OCCCF 7a_100000100557_100011934791 [0,1,0,1,0,0|2,0,0]=4 20870 B17R2.12118 O=C1CCC(c2c1cccc2)OCCCO 7a_100000100557_100011215043 [0,1,0,1,0,0|2,0,0]=4 20871 B17R2.19030 C#CCCCSC1OC(=O)c2c1cccc2 62a_100011215417_100009813457 [0,1,0,1,0,0|0,0,2]=4 20872 B17R2.19030 C=CCCCNC1OC(=O)c2c1cccc2 2230a_100000700776_100009813457 [0,1,0,1,0,0|0,0,2]=4 20873 B17R2.19030 C=CCCCSC1OC(=O)c2c1cccc2 62a_100011713584_100009813457 [0,1,0,1,0,0|0,0,2]=4 20874 B17R2.19030 CC/C=C\CSC1OC(=O)c2c1cccc2 62a_100103147603_100009813457 [0,1,0,1,0,0|0,0,2]=4 20875 B17R2.19030 CCC#CCSC1OC(=O)c2c1cccc2 62a_100009813939_100009813457 [0,1,0,1,0,0|0,0,2]=4 20876 B17R2.19030 CCCCCNC1CC(=O)c2c1cccc2 2230a_100000209983_100010208147 [0,1,0,1,0,0|1,0,0]=3 20877 B17R2.19030 CCCCCNC1OC(=O)c2c1cccc2 2230a_100000209983_100009813457 [0,1,0,1,0,0|0,0,0]=2 20878 B17R2.19030 CCCCCOC1CC(=O)c2c1cccc2 7a_100000210253_100010208147 [0,1,0,1,0,0|1,0,0]=3 20879 B17R2.19030 CCCCCSC1CC(=O)c2c1cccc2 62a_100000210326_100010208147 [0,1,0,1,0,0|1,0,0]=3 20880 B17R2.19030 CCCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210326 [0,1,0,1,0,0|1,0,0]=3 20881 B17R2.19030 CCCCCSC1OC(=O)c2c1cccc2 62a_100000210326_100009813457 [0,1,0,1,0,0|0,0,0]=2 20882 B17R2.19030 CCOCCNC1CC(=O)c2c1cccc2 2230a_102516460346_100010208147 [0,1,0,1,0,0|2,0,0]=4 20883 B17R2.19030 CCOCCNC1OC(=O)c2c1cccc2 2230a_102516460346_100009813457 [0,1,0,1,0,0|1,0,0]=3 20884 B17R2.19030 CCOCCOC1CC(=O)c2c1cccc2 7a_100000210136_100010208147 [0,1,0,1,0,0|2,0,0]=4 20885 B17R2.19030 CCOCCSC1CC(=O)c2c1cccc2 62a_100000210147_100010208147 [0,1,0,1,0,0|2,0,0]=4 20886 B17R2.19030 CCOCCSC1CC(=O)c2c1cccc2 62a_100010208147_100011215890 [0,1,0,1,0,0|2,0,0]=4 20887 B17R2.19030 CCOCCSC1OC(=O)c2c1cccc2 62a_100000210147_100009813457 [0,1,0,1,0,0|1,0,0]=3 20888 B17R2.19030 CCSCCNC1CC(=O)c2c1cccc2 2230a_100000106463_100010208147 [0,1,0,1,0,0|2,0,0]=4 20889 B17R2.19030 CCSCCNC1OC(=O)c2c1cccc2 2230a_100000106463_100009813457 [0,1,0,1,0,0|1,0,0]=3 20890 B17R2.19030 CCSCCOC1CC(=O)c2c1cccc2 7a_100000212035_100010208147 [0,1,0,1,0,0|2,0,0]=4 20891 B17R2.19030 CCSCCSC1CC(=O)c2c1cccc2 62a_100000757381_100010208147 [0,1,0,1,0,0|2,0,0]=4 20892 B17R2.19030 CCSCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000757381 [0,1,0,1,0,0|2,0,0]=4 20893 B17R2.19030 CCSCCSC1OC(=O)c2c1cccc2 62a_100000757381_100009813457 [0,1,0,1,0,0|1,0,0]=3 20894 B17R2.19030 COCCCSC1CC(=O)c2c1cccc2 62a_100000709357_100010208147 [0,1,0,1,0,0|2,0,0]=4 20895 B17R2.19030 COCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000709357 [0,1,0,1,0,0|2,0,0]=4 20896 B17R2.19030 COCCCSC1OC(=O)c2c1cccc2 62a_100000709357_100009813457 [0,1,0,1,0,0|1,0,0]=3 20897 B17R2.19030 CSCCCNC1CC(=O)c2c1cccc2 2230a_100000749238_100010208147 [0,1,0,1,0,0|2,0,0]=4 20898 B17R2.19030 CSCCCNC1OC(=O)c2c1cccc2 2230a_100000749238_100009813457 [0,1,0,1,0,0|1,0,0]=3 20899 B17R2.19030 CSCCCOC1CC(=O)c2c1cccc2 7a_100000690336_100010208147 [0,1,0,1,0,0|2,0,0]=4 20900 B17R2.19030 N#CCCCSC1OC(=O)c2c1cccc2 62a_100000687738_100009813457 [0,1,0,1,0,0|1,0,1]=4 20901 B17R2.19030 O=C1CC(c2c1cccc2)NCCCCO 2230a_100000750430_100010208147 [0,1,0,1,0,0|2,0,0]=4 20902 B17R2.19030 O=C1CC(c2c1cccc2)OCCCCCl 7a_100000210776_100010208147 [0,1,0,1,0,0|2,0,0]=4 20903 B17R2.19030 O=C1CC(c2c1cccc2)OCCCCF 7a_100011995726_100010208147 [0,1,0,1,0,0|2,0,0]=4 20904 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCF 62a_100000729493_100010208147 [0,1,0,1,0,0|2,0,0]=4 20905 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCF 62a_100010208147_100000729493 [0,1,0,1,0,0|2,0,0]=4 20906 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCO 62a_100000210776_100010208147 [0,1,0,1,0,0|2,0,0]=4 20907 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCO 62a_100010208147_100000210776 [0,1,0,1,0,0|2,0,0]=4 20908 B17R2.19030 O=C1OC(c2c1cccc2)NCCCCO 2230a_100000750430_100009813457 [0,1,0,1,0,0|1,0,0]=3 20909 B17R2.19030 O=C1OC(c2c1cccc2)SCCCCF 62a_100000729493_100009813457 [0,1,0,1,0,0|1,0,0]=3 20910 B17R2.19030 O=C1OC(c2c1cccc2)SCCCCO 62a_100000210776_100009813457 [0,1,0,1,0,0|1,0,0]=3 20911 B17R2.19030 O=CCCCSC1OC(=O)c2c1cccc2 62a_200011292268_100009813457 [0,1,0,1,0,0|1,0,1]=4 20912 B17R2.45544 CC(COCC1CCCC1)c2ccccc2 34a_100000742336_100000756946 [0,1,0,1,0,0|1,0,1]=4 20913 B17R2.45544 CC(COCC1CCCC1)c2ccccc2 34a_100011215166_100000740388 [0,1,0,1,0,0|1,0,1]=4 20914 B17R2.45544 CC(COCC1CCCC1)c2ccccc2 7a_100000742336_100000756946 [0,1,0,1,0,0|1,0,1]=4 20915 B17R2.45544 CC(COCC1CCCC1)c2ccccc2 7a_100011215166_100000740388 [0,1,0,1,0,0|1,0,1]=4 20916 B17R2.45544 CC(OCCC1CCCC1)c2ccccc2 34a_100000749090_100000211855 [0,1,0,1,0,0|1,0,1]=4 20917 B17R2.45544 CC(OCCC1CCCC1)c2ccccc2 7a_100000749090_100000230085 [0,1,0,1,0,0|1,0,1]=4 20918 B17R2.45544 CC(OCCC1CCNC1)c2ccccc2 34a_100016987287_100000211855 [0,1,0,1,0,0|1,0,1]=4 20919 B17R2.45544 CC(OCCC1CCOC1)c2ccccc2 34a_100011879284_100000211855 [0,1,0,1,0,0|1,0,1]=4 20920 B17R2.45544 C[C@@H](OCCC1CCCC1)c2ccccc2 34a_100000761318_100000760354 [0,1,0,1,0,0|1,0,1]=4 20921 B17R2.45544 C[C@@H](OCCC1CCCC1)c2ccccc2 7a_100000761318_100000760354 [0,1,0,1,0,0|1,0,1]=4 20922 B17R2.45544 C[C@@H](OCCN1CCCC1)c2ccccc2 7a_100000761318_100000004467 [0,1,0,1,0,0|1,0,1]=4 20923 B17R2.45544 N[C@H](COCC1CCCC1)c2ccccc2 34a_100000751927_100000740388 [0,1,0,1,0,0|1,0,1]=4 20924 B17R2.45544 O=C(CCCC1CCCC1)c2ccccc2 1458a_100000185807_100011713738 [0,1,0,1,0,0|1,0,0]=3 20925 B17R2.45544 O=C(CCCC1OCCO1)c2ccccc2 1458a_100000185807_100000042513 [0,1,0,1,0,0|2,0,0]=4 20926 B17R2.45544 O=C(CCCN1CCCC1)c2ccccc2 1458a_100000185807_100011445909 [0,1,0,1,0,0|1,0,0]=3 20927 B17R2.45544 O=C(CCCN1CCCC1)c2ccccc2 2230a_100000188435_100000211006 [0,1,0,1,0,0|1,0,0]=3 20928 B17R2.45544 O=C(CCCN1CCCC1)c2ccccc2 269982a_100000188435_100000211006 [0,1,0,1,0,0|1,0,0]=3 20929 B17R2.45544 O=C(CCCN1CCSC1)c2ccccc2 2230a_100011215254_100000211006 [0,1,0,1,0,0|2,0,0]=4 20930 B17R2.45544 O=C(CCCN1CCSC1)c2ccccc2 269982a_100011215254_100000211006 [0,1,0,1,0,0|2,0,0]=4 20931 B17R2.45544 O=C(CCNC1CCCC1)c2ccccc2 2230a_100000211070_100000750707 [0,1,0,1,0,0|1,0,0]=3 20932 B17R2.45544 O=C(CCN[C@@H]1CCOC1)c2ccccc2 2230a_200015188469_100000750707 [0,1,0,1,0,0|2,0,0]=4 20933 B17R2.45544 O=C(CCN[C@H]1CCOC1)c2ccccc2 2230a_100015188467_100000750707 [0,1,0,1,0,0|2,0,0]=4 20934 B17R2.45544 O=C(CCOC1CCCC1)c2ccccc2 7a_100000210269_100000750707 [0,1,0,1,0,0|1,0,0]=3 20935 B17R2.45544 O=C(CCOC1CCSC1)c2ccccc2 7a_100011232664_100000750707 [0,1,0,1,0,0|2,0,0]=4 20936 B17R2.45544 O=C(CCSC1CCCC1)c2ccccc2 62a_100000750707_100000179811 [0,1,0,1,0,0|1,0,0]=3 20937 B17R2.45544 O=C(CCSC1CCCC1)c2ccccc2 62a_100011217020_100000750707 [0,1,0,1,0,0|1,0,0]=3 20938 B17R2.45544 O=C(CCSC1CCOC1)c2ccccc2 62a_100000750707_100000690089 [0,1,0,1,0,0|2,0,0]=4 20939 B17R2.45544 O=C(CNCC1CCCC1)c2ccccn2 34a_100000737975_100000027445 [0,1,0,1,0,0|2,0,0]=4 20940 B17R2.45544 O=C(COCC1CCCC1)c2ccccc2 7a_100000742336_100000211460 [0,1,0,1,0,0|0,0,0]=2 20941 B17R2.45544 O=C(COCC1CCCC1)c2ccccn2 34a_100000742336_100000027445 [0,1,0,1,0,0|1,0,0]=3 20942 B17R2.45544 O=C(COCC1CCCC1)c2ccccn2 7a_100000742336_100000027445 [0,1,0,1,0,0|1,0,0]=3 20943 B17R2.45544 O=C(COCC1CCCC1)c2ccncc2 7a_100000742336_100015248511 [0,1,0,1,0,0|1,0,0]=3 20944 B17R2.45544 O=C(COCC1CCCO1)c2ccccc2 7a_100000210270_100000211460 [0,1,0,1,0,0|1,0,0]=3 20945 B17R2.45544 O=C(COCC1CCCO1)c2ccccn2 34a_100000210270_100000027445 [0,1,0,1,0,0|2,0,0]=4 20946 B17R2.45544 O=C(COCC1CCCO1)c2ccccn2 7a_100000210270_100000027445 [0,1,0,1,0,0|2,0,0]=4 20947 B17R2.45544 O=C(COCC1CCCO1)c2ccncc2 7a_100000210270_100015248511 [0,1,0,1,0,0|2,0,0]=4 20948 B17R2.45544 O=C(COCC1CCNC1)c2ccccn2 34a_100000748654_100000027445 [0,1,0,1,0,0|2,0,0]=4 20949 B17R2.45544 O=C(COCC1CCOC1)c2ccccn2 34a_100000740260_100000027445 [0,1,0,1,0,0|2,0,0]=4 20950 B17R2.45544 O=C(COC[C@H]1CCCN1)c2ccccn2 34a_100000745186_100000027445 [0,1,0,1,0,0|2,0,0]=4 20951 B17R2.45544 O=C(CSCC1CCCC1)c2ccccc2 62a_100000211460_100000740388 [0,1,0,1,0,0|0,1,0]=3 20952 B17R2.45544 O=C(CSCC1CCCC1)c2ccccc2 62a_100000740388_100000211460 [0,1,0,1,0,0|0,1,0]=3 20953 B17R2.45544 O=C(CSCC1CCCC1)c2ccccn2 62a_100000027445_100000740388 [0,1,0,1,0,0|1,1,0]=4 20954 B17R2.45544 O=C(CSCC1CCCC1)c2ccccn2 62a_100000740388_100000027445 [0,1,0,1,0,0|1,1,0]=4 20955 B17R2.45544 O=C(CSCC1CCCC1)c2cccnc2 62a_100000740388_100000757877 [0,1,0,1,0,0|1,1,0]=4 20956 B17R2.45544 O=C(CSCC1CCCC1)c2cccnc2 62a_100000757877_100000740388 [0,1,0,1,0,0|1,1,0]=4 20957 B17R2.45544 O=C(CSCC1CCCC1)c2ccncc2 62a_100000027454_100000740388 [0,1,0,1,0,0|1,1,0]=4 20958 B17R2.45544 O=C(CSCC1CCCC1)c2ccncc2 62a_100000740388_100000027454 [0,1,0,1,0,0|1,1,0]=4 20959 B17R2.45544 O=C(CSCC1CCCO1)c2ccccc2 62a_100000203698_100000211460 [0,1,0,1,0,0|1,1,0]=4 20960 B17R2.45544 O=C(CSCC1CCCO1)c2ccccc2 62a_100000211460_100000203698 [0,1,0,1,0,0|1,1,0]=4 20961 B17R2.45544 O=C(CSCC1CCOC1)c2ccccc2 62a_100000211460_100000702531 [0,1,0,1,0,0|1,1,0]=4 20962 B17R2.45544 O=C(CSCC1CCOC1)c2ccccc2 62a_100000702531_100000211460 [0,1,0,1,0,0|1,1,0]=4 20963 B17R2.45544 O=C(NCCC1CCCC1)c2ccccc2 11a_100000739158_100000185807 [0,1,0,1,0,0|1,0,0]=3 20964 B17R2.45544 O=C(NCCC1CCCC1)c2ccccc2 1626a_100000739158_100000185807 [0,1,0,1,0,0|1,0,0]=3 20965 B17R2.45544 O=C(NCCC1CCCC1)c2ccccc2 240690a_100000739158_100000185807 [0,1,0,1,0,0|1,0,0]=3 20966 B17R2.45544 O=C(NCCC1CCCC1)c2ccccc2 527a_100000739158_100000185807 [0,1,0,1,0,0|1,0,0]=3 20967 B17R2.45544 O=C(NCCC1OCCO1)c2ccccc2 11a_100000034215_100000185807 [0,1,0,1,0,0|2,0,0]=4 20968 B17R2.45544 O=C(NCCC1OCCO1)c2ccccc2 1626a_100000034215_100000185807 [0,1,0,1,0,0|2,0,0]=4 20969 B17R2.45544 O=C(NCCC1OCCO1)c2ccccc2 240690a_100000034215_100000185807 [0,1,0,1,0,0|2,0,0]=4 20970 B17R2.45544 O=C(NCCC1OCCO1)c2ccccc2 527a_100000034215_100000185807 [0,1,0,1,0,0|2,0,0]=4 20971 B17R2.45544 O=C(NCCN1CCCC1)c2ccccc2 240690a_100000212299_100000185807 [0,1,0,1,0,0|1,0,0]=3 20972 B17R2.45544 O=C(NCCN1CCCC1)c2ccccc2 269982a_100000188435_200011215302 [0,1,0,1,0,0|1,0,0]=3 20973 B17R2.45544 O=C(NCCN1CCSC1)c2ccccc2 269982a_100011215254_200011215302 [0,1,0,1,0,0|2,0,0]=4 20974 B17R2.45544 O=C(NN=CC1CCCC1)c2ccccc2 4a_100000184135_100000746403 [0,1,0,1,0,0|1,0,1]=4 20975 B17R2.45544 O=C(OCCN1CC=CC1)c2ccccc2 269982a_100015195280_100009812718 [0,1,0,1,0,0|0,0,2]=4 20976 B17R2.45544 O=C(OCCN1CCCC1)c2ccccc2 269982a_100000188435_100009812718 [0,1,0,1,0,0|0,0,0]=2 20977 B17R2.45544 O=C(OCCN1CCSC1)c2ccccc2 269982a_100011215254_100009812718 [0,1,0,1,0,0|1,0,0]=3 20978 B17R2.45544 O=C(OCOC1CCCC1)c2ccccc2 7a_100000210269_100000073877 [0,1,0,1,0,0|0,0,0]=2 20979 B17R2.45544 O=C(OCOC1CCSC1)c2ccccc2 7a_100011232664_100000073877 [0,1,0,1,0,0|1,0,0]=3 20980 B17R2.45544 O=C(OCSC1CCCC1)c2ccccc2 62a_100000073877_100000179811 [0,1,0,1,0,0|0,0,0]=2 20981 B17R2.45544 O=C(OCSC1CCCC1)c2ccccc2 62a_100011217020_100000073877 [0,1,0,1,0,0|0,0,0]=2 20982 B17R2.45544 O=C(OCSC1CCOC1)c2ccccc2 62a_100000073877_100000690089 [0,1,0,1,0,0|1,0,0]=3 20983 B17R2.45544 O=S(CCNC1CCCC1)c2ccccc2 2230a_100000211070_100000740319 [0,1,0,1,0,0|2,0,0]=4 20984 B17R2.45544 O=S(CCOC1CCCC1)c2ccccc2 7a_100000210269_100000740319 [0,1,0,1,0,0|2,0,0]=4 20985 B17R2.45544 O=S(CCSC1CCCC1)c2ccccc2 62a_100011217020_100000740319 [0,1,0,1,0,0|2,0,0]=4 20986 B17R2.45544 O=S(CSCC1CCCC1)c2ccccc2 62a_100000740388_100000031784 [0,1,0,1,0,0|1,1,0]=4 20987 B17R2.45544 OC(COCC1CCCC1)c2ccccc2 34a_100000742336_100000185958 [0,1,0,1,0,0|0,0,2]=4 20988 B17R2.45544 OC(COCC1CCCC1)c2ccccc2 7a_100000742336_100000185958 [0,1,0,1,0,0|0,0,2]=4 20989 B17R2.45544 O[C@H](COCC1CCCC1)c2ccccc2 34a_100000742336_100011933945 [0,1,0,1,0,0|0,0,2]=4 20990 B17R2.45544 O[C@H](COCC1CCCC1)c2ccccc2 7a_100000742336_100011933945 [0,1,0,1,0,0|0,0,2]=4 20991 B17R2.435890 BrCCCCCCOC1Cc2c1cccc2 7a_100011215345_100009813401 [0,1,0,1,0,0|1,0,1]=4 20992 B17R2.435890 CCCCCCCOC1Cc2c1cccc2 7a_100000210272_100009813401 [0,1,0,1,0,0|1,0,1]=4 20993 B17R2.435890 CCCCCCOCC1Cc2c1cccc2 34a_100012476685_100000210314 [0,1,0,1,0,0|1,0,1]=4 20994 B17R2.435890 CCCCCCOCC1Cc2c1cccc2 7a_100012476685_100000210314 [0,1,0,1,0,0|1,0,1]=4 20995 B17R2.435890 CCCCOCCOC1Cc2c1cccc2 7a_100000210238_100009813401 [0,1,0,1,0,0|1,0,1]=4 20996 B17R2.435890 CCCCSCCOC1Cc2c1cccc2 7a_200000230436_100009813401 [0,1,0,1,0,0|1,0,1]=4 20997 B17R2.435890 ClCCCCCCOC1Cc2c1cccc2 7a_100000766143_100009813401 [0,1,0,1,0,0|1,0,1]=4 20998 B17R2.435890 FCCCCCCOC1Cc2c1cccc2 7a_100000732779_100009813401 [0,1,0,1,0,0|1,0,1]=4 20999 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)Br 34a_100000210231_100000755118 [0,1,0,1,0,0|1,0,1]=4 21000 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)Br 34a_100000745893_100000210327 [0,1,0,1,0,0|1,0,1]=4 21001 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)Br 7a_100000745893_100000210327 [0,1,0,1,0,0|1,0,1]=4 21002 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)Cl 7a_100000210231_100000684792 [0,1,0,1,0,0|1,0,1]=4 21003 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)F 34a_100000181323_100000210327 [0,1,0,1,0,0|1,0,1]=4 21004 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)F 34a_100000210231_100000743420 [0,1,0,1,0,0|1,0,1]=4 21005 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)F 7a_100000181323_100000210327 [0,1,0,1,0,0|1,0,1]=4 21006 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)F 7a_100000210231_100000743420 [0,1,0,1,0,0|1,0,1]=4 21007 B17R2.192 CC(OC1CCCCC1)c2ccc(cc2)N 34a_100011216399_100000210327 [0,1,0,1,0,0|1,0,1]=4 21008 B17R2.192 C[C@H](OC1CCCCC1)c2ccc(cc2)Cl 34a_100011852131_100000210327 [0,1,0,1,0,0|1,0,1]=4 21009 B17R2.192 C[C@H](OC1CCCCC1)c2ccc(cc2)Cl 7a_100011852131_100000210327 [0,1,0,1,0,0|1,0,1]=4 21010 B17R2.192 Cc1ccc(cc1)C(=O)CC2CCCCC2 1458a_100000188618_100000211423 [0,1,0,1,0,0|1,0,0]=3 21011 B17R2.192 Cc1ccc(cc1)C(=O)CC2CCCCO2 1458a_100000188618_100000211543 [0,1,0,1,0,0|2,0,0]=4 21012 B17R2.192 Cc1ccc(cc1)C(=O)CC2CCCOC2 1458a_100000188618_100000741521 [0,1,0,1,0,0|2,0,0]=4 21013 B17R2.192 Cc1ccc(cc1)C(=O)CC2CCOCC2 1458a_100000188618_100000754603 [0,1,0,1,0,0|2,0,0]=4 21014 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCCC2 11a_100000182618_100000188618 [0,1,0,1,0,0|1,0,0]=3 21015 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCCC2 1626a_100000182618_100000188618 [0,1,0,1,0,0|1,0,0]=3 21016 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCCC2 240690a_100000182618_100000188618 [0,1,0,1,0,0|1,0,0]=3 21017 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCCC2 527a_100000182618_100000188618 [0,1,0,1,0,0|1,0,0]=3 21018 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCOC2 11a_100000719290_100000188618 [0,1,0,1,0,0|2,0,0]=4 21019 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCOC2 1626a_100000719290_100000188618 [0,1,0,1,0,0|2,0,0]=4 21020 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCOC2 240690a_100000719290_100000188618 [0,1,0,1,0,0|2,0,0]=4 21021 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCCOC2 527a_100000719290_100000188618 [0,1,0,1,0,0|2,0,0]=4 21022 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCOCC2 11a_100000741149_100000188618 [0,1,0,1,0,0|2,0,0]=4 21023 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCOCC2 1626a_100000741149_100000188618 [0,1,0,1,0,0|2,0,0]=4 21024 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCOCC2 240690a_100000741149_100000188618 [0,1,0,1,0,0|2,0,0]=4 21025 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCOCC2 527a_100000741149_100000188618 [0,1,0,1,0,0|2,0,0]=4 21026 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCSCC2 11a_100000748639_100000188618 [0,1,0,1,0,0|2,0,0]=4 21027 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCSCC2 1626a_100000748639_100000188618 [0,1,0,1,0,0|2,0,0]=4 21028 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCSCC2 240690a_100000748639_100000188618 [0,1,0,1,0,0|2,0,0]=4 21029 B17R2.192 Cc1ccc(cc1)C(=O)NC2CCSCC2 527a_100000748639_100000188618 [0,1,0,1,0,0|2,0,0]=4 21030 B17R2.192 Cc1ccc(cc1)C(C)OC2CCCCC2 34a_100000210231_100011261388 [0,1,0,1,0,0|1,0,1]=4 21031 B17R2.192 Cc1ccc(cc1)C(C)OC2CCCCC2 7a_100000210231_100011261388 [0,1,0,1,0,0|1,0,1]=4 21032 B17R2.192 Cc1ccc(cc1)[C@@H](C)OC2CCCCC2 34a_100000690690_100000210327 [0,1,0,1,0,0|1,0,1]=4 21033 B17R2.192 Cc1ccc(cc1)[C@@H](C)OC2CCCCC2 7a_100000690690_100000210327 [0,1,0,1,0,0|1,0,1]=4 21034 B17R2.192 O=C(CC1CCCCC1)c2ccc(cc2)Br 1458a_100000185839_100000211423 [0,1,0,1,0,0|1,0,0]=3 21035 B17R2.192 O=C(CC1CCCCC1)c2ccc(cc2)Cl 1458a_100000210187_100000211423 [0,1,0,1,0,0|1,0,0]=3 21036 B17R2.192 O=C(CC1CCCCC1)c2ccc(cc2)F 1458a_100000187176_100000211423 [0,1,0,1,0,0|1,0,0]=3 21037 B17R2.192 O=C(CC1CCCCC1)c2ccc(cc2)I 1458a_100000187904_100000211423 [0,1,0,1,0,0|1,0,0]=3 21038 B17R2.192 O=C(CC1CCCCC1)c2ccc(cc2)O 1458a_100000212099_100000211423 [0,1,0,1,0,0|1,0,0]=3 21039 B17R2.192 O=C(CC1CCCCO1)c2ccc(cc2)Br 1458a_100000185839_100000211543 [0,1,0,1,0,0|2,0,0]=4 21040 B17R2.192 O=C(CC1CCCCO1)c2ccc(cc2)Cl 1458a_100000210187_100000211543 [0,1,0,1,0,0|2,0,0]=4 21041 B17R2.192 O=C(CC1CCCCO1)c2ccc(cc2)F 1458a_100000187176_100000211543 [0,1,0,1,0,0|2,0,0]=4 21042 B17R2.192 O=C(CC1CCCCO1)c2ccc(cc2)I 1458a_100000187904_100000211543 [0,1,0,1,0,0|2,0,0]=4 21043 B17R2.192 O=C(CC1CCCCO1)c2ccc(cc2)O 1458a_100000212099_100000211543 [0,1,0,1,0,0|2,0,0]=4 21044 B17R2.192 O=C(CC1CCCOC1)c2ccc(cc2)Br 1458a_100000185839_100000741521 [0,1,0,1,0,0|2,0,0]=4 21045 B17R2.192 O=C(CC1CCCOC1)c2ccc(cc2)Cl 1458a_100000210187_100000741521 [0,1,0,1,0,0|2,0,0]=4 21046 B17R2.192 O=C(CC1CCCOC1)c2ccc(cc2)F 1458a_100000187176_100000741521 [0,1,0,1,0,0|2,0,0]=4 21047 B17R2.192 O=C(CC1CCCOC1)c2ccc(cc2)I 1458a_100000187904_100000741521 [0,1,0,1,0,0|2,0,0]=4 21048 B17R2.192 O=C(CC1CCCOC1)c2ccc(cc2)O 1458a_100000212099_100000741521 [0,1,0,1,0,0|2,0,0]=4 21049 B17R2.192 O=C(CC1CCOCC1)c2ccc(cc2)Br 1458a_100000185839_100000754603 [0,1,0,1,0,0|2,0,0]=4 21050 B17R2.192 O=C(CC1CCOCC1)c2ccc(cc2)Cl 1458a_100000210187_100000754603 [0,1,0,1,0,0|2,0,0]=4 21051 B17R2.192 O=C(CC1CCOCC1)c2ccc(cc2)F 1458a_100000187176_100000754603 [0,1,0,1,0,0|2,0,0]=4 21052 B17R2.192 O=C(CC1CCOCC1)c2ccc(cc2)I 1458a_100000187904_100000754603 [0,1,0,1,0,0|2,0,0]=4 21053 B17R2.192 O=C(CC1CCOCC1)c2ccc(cc2)O 1458a_100000212099_100000754603 [0,1,0,1,0,0|2,0,0]=4 21054 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Br 11a_100000182618_100000185839 [0,1,0,1,0,0|1,0,0]=3 21055 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Br 1626a_100000182618_100000185839 [0,1,0,1,0,0|1,0,0]=3 21056 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Br 240690a_100000182618_100000185839 [0,1,0,1,0,0|1,0,0]=3 21057 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Br 527a_100000182618_100000185839 [0,1,0,1,0,0|1,0,0]=3 21058 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Cl 11a_100000182618_100000210187 [0,1,0,1,0,0|1,0,0]=3 21059 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Cl 1626a_100000182618_100000210187 [0,1,0,1,0,0|1,0,0]=3 21060 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Cl 240690a_100000182618_100000210187 [0,1,0,1,0,0|1,0,0]=3 21061 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)Cl 527a_100000182618_100000210187 [0,1,0,1,0,0|1,0,0]=3 21062 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)F 11a_100000182618_100000187176 [0,1,0,1,0,0|1,0,0]=3 21063 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)F 1626a_100000182618_100000187176 [0,1,0,1,0,0|1,0,0]=3 21064 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)F 240690a_100000182618_100000187176 [0,1,0,1,0,0|1,0,0]=3 21065 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)F 527a_100000182618_100000187176 [0,1,0,1,0,0|1,0,0]=3 21066 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)I 11a_100000182618_100000187904 [0,1,0,1,0,0|1,0,0]=3 21067 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)I 1626a_100000182618_100000187904 [0,1,0,1,0,0|1,0,0]=3 21068 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)I 240690a_100000182618_100000187904 [0,1,0,1,0,0|1,0,0]=3 21069 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)I 527a_100000182618_100000187904 [0,1,0,1,0,0|1,0,0]=3 21070 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)O 240690a_100000182618_100000212099 [0,1,0,1,0,0|1,0,0]=3 21071 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)O 271570a_203496583355_200000153390 [0,1,0,1,0,0|1,0,0]=3 21072 B17R2.192 O=C(NC1CCCCC1)c2ccc(cc2)O 527a_100000182618_100000212099 [0,1,0,1,0,0|1,0,0]=3 21073 B17R2.192 O=C(NC1CCCCC1)c2ccc(cn2)O 271570a_203496583355_200005704392 [0,1,0,1,0,0|2,0,0]=4 21074 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Br 11a_100000719290_100000185839 [0,1,0,1,0,0|2,0,0]=4 21075 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Br 1626a_100000719290_100000185839 [0,1,0,1,0,0|2,0,0]=4 21076 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Br 240690a_100000719290_100000185839 [0,1,0,1,0,0|2,0,0]=4 21077 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Br 527a_100000719290_100000185839 [0,1,0,1,0,0|2,0,0]=4 21078 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Cl 11a_100000719290_100000210187 [0,1,0,1,0,0|2,0,0]=4 21079 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Cl 1626a_100000719290_100000210187 [0,1,0,1,0,0|2,0,0]=4 21080 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Cl 240690a_100000719290_100000210187 [0,1,0,1,0,0|2,0,0]=4 21081 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)Cl 527a_100000719290_100000210187 [0,1,0,1,0,0|2,0,0]=4 21082 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)F 11a_100000719290_100000187176 [0,1,0,1,0,0|2,0,0]=4 21083 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)F 1626a_100000719290_100000187176 [0,1,0,1,0,0|2,0,0]=4 21084 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)F 240690a_100000719290_100000187176 [0,1,0,1,0,0|2,0,0]=4 21085 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)F 527a_100000719290_100000187176 [0,1,0,1,0,0|2,0,0]=4 21086 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)I 11a_100000719290_100000187904 [0,1,0,1,0,0|2,0,0]=4 21087 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)I 1626a_100000719290_100000187904 [0,1,0,1,0,0|2,0,0]=4 21088 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)I 240690a_100000719290_100000187904 [0,1,0,1,0,0|2,0,0]=4 21089 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)I 527a_100000719290_100000187904 [0,1,0,1,0,0|2,0,0]=4 21090 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)O 240690a_100000719290_100000212099 [0,1,0,1,0,0|2,0,0]=4 21091 B17R2.192 O=C(NC1CCCOC1)c2ccc(cc2)O 527a_100000719290_100000212099 [0,1,0,1,0,0|2,0,0]=4 21092 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Br 11a_100000741149_100000185839 [0,1,0,1,0,0|2,0,0]=4 21093 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Br 1626a_100000741149_100000185839 [0,1,0,1,0,0|2,0,0]=4 21094 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Br 240690a_100000741149_100000185839 [0,1,0,1,0,0|2,0,0]=4 21095 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Br 527a_100000741149_100000185839 [0,1,0,1,0,0|2,0,0]=4 21096 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Cl 11a_100000741149_100000210187 [0,1,0,1,0,0|2,0,0]=4 21097 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Cl 1626a_100000741149_100000210187 [0,1,0,1,0,0|2,0,0]=4 21098 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Cl 240690a_100000741149_100000210187 [0,1,0,1,0,0|2,0,0]=4 21099 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)Cl 527a_100000741149_100000210187 [0,1,0,1,0,0|2,0,0]=4 21100 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)F 11a_100000741149_100000187176 [0,1,0,1,0,0|2,0,0]=4 21101 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)F 1626a_100000741149_100000187176 [0,1,0,1,0,0|2,0,0]=4 21102 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)F 240690a_100000741149_100000187176 [0,1,0,1,0,0|2,0,0]=4 21103 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)F 527a_100000741149_100000187176 [0,1,0,1,0,0|2,0,0]=4 21104 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)I 11a_100000741149_100000187904 [0,1,0,1,0,0|2,0,0]=4 21105 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)I 1626a_100000741149_100000187904 [0,1,0,1,0,0|2,0,0]=4 21106 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)I 240690a_100000741149_100000187904 [0,1,0,1,0,0|2,0,0]=4 21107 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)I 527a_100000741149_100000187904 [0,1,0,1,0,0|2,0,0]=4 21108 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)O 240690a_100000741149_100000212099 [0,1,0,1,0,0|2,0,0]=4 21109 B17R2.192 O=C(NC1CCOCC1)c2ccc(cc2)O 527a_100000741149_100000212099 [0,1,0,1,0,0|2,0,0]=4 21110 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Br 11a_100000748639_100000185839 [0,1,0,1,0,0|2,0,0]=4 21111 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Br 1626a_100000748639_100000185839 [0,1,0,1,0,0|2,0,0]=4 21112 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Br 240690a_100000748639_100000185839 [0,1,0,1,0,0|2,0,0]=4 21113 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Br 527a_100000748639_100000185839 [0,1,0,1,0,0|2,0,0]=4 21114 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Cl 11a_100000748639_100000210187 [0,1,0,1,0,0|2,0,0]=4 21115 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Cl 1626a_100000748639_100000210187 [0,1,0,1,0,0|2,0,0]=4 21116 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Cl 240690a_100000748639_100000210187 [0,1,0,1,0,0|2,0,0]=4 21117 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)Cl 527a_100000748639_100000210187 [0,1,0,1,0,0|2,0,0]=4 21118 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)F 11a_100000748639_100000187176 [0,1,0,1,0,0|2,0,0]=4 21119 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)F 1626a_100000748639_100000187176 [0,1,0,1,0,0|2,0,0]=4 21120 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)F 240690a_100000748639_100000187176 [0,1,0,1,0,0|2,0,0]=4 21121 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)F 527a_100000748639_100000187176 [0,1,0,1,0,0|2,0,0]=4 21122 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)I 11a_100000748639_100000187904 [0,1,0,1,0,0|2,0,0]=4 21123 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)I 1626a_100000748639_100000187904 [0,1,0,1,0,0|2,0,0]=4 21124 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)I 240690a_100000748639_100000187904 [0,1,0,1,0,0|2,0,0]=4 21125 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)I 527a_100000748639_100000187904 [0,1,0,1,0,0|2,0,0]=4 21126 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)O 240690a_100000748639_100000212099 [0,1,0,1,0,0|2,0,0]=4 21127 B17R2.192 O=C(NC1CCSCC1)c2ccc(cc2)O 527a_100000748639_100000212099 [0,1,0,1,0,0|2,0,0]=4 21128 B17R2.192 [2H]C(OC1CCCCC1)c2ccc(cc2)F 34a_217856618577_100000210327 [0,1,0,1,0,0|1,0,1]=4 21129 B17R2.192 [2H]C(OC1CCCCC1)c2ccc(cc2)F 7a_217856618577_100000210327 [0,1,0,1,0,0|1,0,1]=4 21130 B17R2.378 CC1CCN1CCC(=O)c2ccc(cc2)Br 269982a_100000755817_100011215963 [0,1,0,1,0,0|2,0,0]=4 21131 B17R2.378 CC1CCN1CCC(=O)c2ccc(cc2)Cl 269982a_100000755817_100011216492 [0,1,0,1,0,0|2,0,0]=4 21132 B17R2.378 CC1CCN1CCC(=O)c2ccc(cc2)F 269982a_100000755817_100000211231 [0,1,0,1,0,0|2,0,0]=4 21133 B17R2.378 CC1CCN1CCC(=O)c2ccc(cc2)O 269982a_100000755817_100009879949 [0,1,0,1,0,0|2,0,0]=4 21134 B17R2.378 Cc1ccc(cc1)C(=O)CCN2CCC2C 269982a_100000755817_100000701375 [0,1,0,1,0,0|2,0,0]=4 21135 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Br 11a_100000211376_100000185839 [0,1,0,1,0,0|1,0,0]=3 21136 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Br 1626a_100000211376_100000185839 [0,1,0,1,0,0|1,0,0]=3 21137 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Br 240690a_100000211376_100000185839 [0,1,0,1,0,0|1,0,0]=3 21138 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Br 527a_100000211376_100000185839 [0,1,0,1,0,0|1,0,0]=3 21139 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Cl 11a_100000211376_100000210187 [0,1,0,1,0,0|1,0,0]=3 21140 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Cl 1626a_100000211376_100000210187 [0,1,0,1,0,0|1,0,0]=3 21141 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Cl 240690a_100000211376_100000210187 [0,1,0,1,0,0|1,0,0]=3 21142 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)Cl 527a_100000211376_100000210187 [0,1,0,1,0,0|1,0,0]=3 21143 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)F 11a_100000211376_100000187176 [0,1,0,1,0,0|1,0,0]=3 21144 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)F 1626a_100000211376_100000187176 [0,1,0,1,0,0|1,0,0]=3 21145 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)F 240690a_100000211376_100000187176 [0,1,0,1,0,0|1,0,0]=3 21146 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)F 527a_100000211376_100000187176 [0,1,0,1,0,0|1,0,0]=3 21147 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)I 11a_100000211376_100000187904 [0,1,0,1,0,0|1,0,0]=3 21148 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)I 1626a_100000211376_100000187904 [0,1,0,1,0,0|1,0,0]=3 21149 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)I 240690a_100000211376_100000187904 [0,1,0,1,0,0|1,0,0]=3 21150 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)I 527a_100000211376_100000187904 [0,1,0,1,0,0|1,0,0]=3 21151 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)O 240690a_100000211376_100000212099 [0,1,0,1,0,0|1,0,0]=3 21152 B17R2.381 CC1CCCCN1C(=O)c2ccc(cc2)O 527a_100000211376_100000212099 [0,1,0,1,0,0|1,0,0]=3 21153 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)Br 11a_100009815349_100000185839 [0,1,0,1,0,0|2,0,0]=4 21154 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)Br 240690a_100009815349_100000185839 [0,1,0,1,0,0|2,0,0]=4 21155 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)Br 527a_100009815349_100000185839 [0,1,0,1,0,0|2,0,0]=4 21156 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)Cl 11a_100009815349_100000210187 [0,1,0,1,0,0|2,0,0]=4 21157 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)Cl 240690a_100009815349_100000210187 [0,1,0,1,0,0|2,0,0]=4 21158 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)Cl 527a_100009815349_100000210187 [0,1,0,1,0,0|2,0,0]=4 21159 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)F 11a_100009815349_100000187176 [0,1,0,1,0,0|2,0,0]=4 21160 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)F 240690a_100009815349_100000187176 [0,1,0,1,0,0|2,0,0]=4 21161 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)F 527a_100009815349_100000187176 [0,1,0,1,0,0|2,0,0]=4 21162 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)I 11a_100009815349_100000187904 [0,1,0,1,0,0|2,0,0]=4 21163 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)I 240690a_100009815349_100000187904 [0,1,0,1,0,0|2,0,0]=4 21164 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)I 527a_100009815349_100000187904 [0,1,0,1,0,0|2,0,0]=4 21165 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)O 240690a_100009815349_100000212099 [0,1,0,1,0,0|2,0,0]=4 21166 B17R2.381 C[C@H]1COCCN1C(=O)c2ccc(cc2)O 527a_100009815349_100000212099 [0,1,0,1,0,0|2,0,0]=4 21167 B17R2.381 Cc1ccc(cc1)C(=O)N2CCCCC2C 11a_100000211376_100000188618 [0,1,0,1,0,0|1,0,0]=3 21168 B17R2.381 Cc1ccc(cc1)C(=O)N2CCCCC2C 1626a_100000211376_100000188618 [0,1,0,1,0,0|1,0,0]=3 21169 B17R2.381 Cc1ccc(cc1)C(=O)N2CCCCC2C 240690a_100000211376_100000188618 [0,1,0,1,0,0|1,0,0]=3 21170 B17R2.381 Cc1ccc(cc1)C(=O)N2CCCCC2C 527a_100000211376_100000188618 [0,1,0,1,0,0|1,0,0]=3 21171 B17R2.381 Cc1ccc(cc1)C(=O)N2CCOC[C@@H]2C 11a_100009815349_100000188618 [0,1,0,1,0,0|2,0,0]=4 21172 B17R2.381 Cc1ccc(cc1)C(=O)N2CCOC[C@@H]2C 240690a_100009815349_100000188618 [0,1,0,1,0,0|2,0,0]=4 21173 B17R2.381 Cc1ccc(cc1)C(=O)N2CCOC[C@@H]2C 527a_100009815349_100000188618 [0,1,0,1,0,0|2,0,0]=4 21174 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)Br 34a_100000744939_100000188085 [0,1,0,1,0,0|2,0,0]=4 21175 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)Br 7a_100000744939_100000188085 [0,1,0,1,0,0|2,0,0]=4 21176 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)Cl 7a_100000744939_100000211071 [0,1,0,1,0,0|2,0,0]=4 21177 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)F 7a_100000744939_100000211279 [0,1,0,1,0,0|2,0,0]=4 21178 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)I 34a_100000744939_100011216261 [0,1,0,1,0,0|2,0,0]=4 21179 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)I 7a_100000744939_100011216261 [0,1,0,1,0,0|2,0,0]=4 21180 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)O 34a_100000744939_100009814261 [0,1,0,1,0,0|2,0,0]=4 21181 B17R2.382 CC1CC1COCC(=O)c2ccc(cc2)O 7a_100000744939_100000018856 [0,1,0,1,0,0|2,0,0]=4 21182 B17R2.382 Cc1ccc(cc1)C(=O)COCC2CC2C 34a_100000744939_100000211441 [0,1,0,1,0,0|2,0,0]=4 21183 B17R2.382 Cc1ccc(cc1)C(=O)COCC2CC2C 7a_100000744939_100000211441 [0,1,0,1,0,0|2,0,0]=4 21184 B17R2.384 CC(OC1CCCC1C)c2ccc(cc2)Br 34a_100011216460_100000755118 [0,1,0,1,0,0|1,0,1]=4 21185 B17R2.384 CC(OC1CCCC1C)c2ccc(cc2)Cl 7a_100011216460_100000684792 [0,1,0,1,0,0|1,0,1]=4 21186 B17R2.384 CC(OC1CCCC1C)c2ccc(cc2)F 34a_100011216460_100000743420 [0,1,0,1,0,0|1,0,1]=4 21187 B17R2.384 CC(OC1CCCC1C)c2ccc(cc2)F 7a_100011216460_100000743420 [0,1,0,1,0,0|1,0,1]=4 21188 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)Br 269982a_100015189458_100000188085 [0,1,0,1,0,0|2,0,0]=4 21189 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)Br 34a_100015189458_100000188085 [0,1,0,1,0,0|2,0,0]=4 21190 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)Cl 269982a_100015189458_100000211071 [0,1,0,1,0,0|2,0,0]=4 21191 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)F 269982a_100015189458_100000211279 [0,1,0,1,0,0|2,0,0]=4 21192 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)I 269982a_100015189458_100011216261 [0,1,0,1,0,0|2,0,0]=4 21193 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)I 34a_100015189458_100011216261 [0,1,0,1,0,0|2,0,0]=4 21194 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)O 269982a_100015189458_100009814261 [0,1,0,1,0,0|2,0,0]=4 21195 B17R2.384 C[C@@H]1CCCN1CC(=O)c2ccc(cc2)O 34a_100015189458_100009814261 [0,1,0,1,0,0|2,0,0]=4 21196 B17R2.384 C[C@H]1CCCN1CC(=O)c2ccc(cc2)Br 269982a_100020605311_100000188085 [0,1,0,1,0,0|2,0,0]=4 21197 B17R2.384 C[C@H]1CCCN1CC(=O)c2ccc(cc2)Cl 269982a_100020605311_100000211071 [0,1,0,1,0,0|2,0,0]=4 21198 B17R2.384 C[C@H]1CCCN1CC(=O)c2ccc(cc2)F 269982a_100020605311_100000211279 [0,1,0,1,0,0|2,0,0]=4 21199 B17R2.384 C[C@H]1CCCN1CC(=O)c2ccc(cc2)I 269982a_100020605311_100011216261 [0,1,0,1,0,0|2,0,0]=4 21200 B17R2.384 C[C@H]1CCCN1CC(=O)c2ccc(cc2)O 269982a_100020605311_100009814261 [0,1,0,1,0,0|2,0,0]=4 21201 B17R2.384 Cc1ccc(cc1)C(=O)CN2CCC[C@@H]2C 2230a_100020605311_100000211441 [0,1,0,1,0,0|2,0,0]=4 21202 B17R2.384 Cc1ccc(cc1)C(=O)CN2CCC[C@@H]2C 269982a_100020605311_100000211441 [0,1,0,1,0,0|2,0,0]=4 21203 B17R2.384 Cc1ccc(cc1)C(=O)CN2CCC[C@H]2C 2230a_100015189458_100000211441 [0,1,0,1,0,0|2,0,0]=4 21204 B17R2.384 Cc1ccc(cc1)C(=O)CN2CCC[C@H]2C 269982a_100015189458_100000211441 [0,1,0,1,0,0|2,0,0]=4 21205 B17R2.384 Cc1ccc(cc1)C(=O)CN2CCC[C@H]2C 34a_100015189458_100000211441 [0,1,0,1,0,0|2,0,0]=4 21206 B17R2.384 Cc1ccc(cc1)C(=O)N[C@H]2CCC[C@@H]2O 11a_100000748460_100000188618 [0,1,0,1,0,0|2,0,0]=4 21207 B17R2.384 Cc1ccc(cc1)C(=O)N[C@H]2CCC[C@@H]2O 240690a_100000748460_100000188618 [0,1,0,1,0,0|2,0,0]=4 21208 B17R2.384 Cc1ccc(cc1)C(C)OC2CCCC2C 34a_100011216460_100011261388 [0,1,0,1,0,0|1,0,1]=4 21209 B17R2.384 Cc1ccc(cc1)C(C)OC2CCCC2C 7a_100011216460_100011261388 [0,1,0,1,0,0|1,0,1]=4 21210 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)Br 11a_100000748460_100000185839 [0,1,0,1,0,0|2,0,0]=4 21211 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)Br 240690a_100000748460_100000185839 [0,1,0,1,0,0|2,0,0]=4 21212 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)Cl 11a_100000748460_100000210187 [0,1,0,1,0,0|2,0,0]=4 21213 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)Cl 240690a_100000748460_100000210187 [0,1,0,1,0,0|2,0,0]=4 21214 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)F 11a_100000748460_100000187176 [0,1,0,1,0,0|2,0,0]=4 21215 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)F 240690a_100000748460_100000187176 [0,1,0,1,0,0|2,0,0]=4 21216 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)I 11a_100000748460_100000187904 [0,1,0,1,0,0|2,0,0]=4 21217 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)I 240690a_100000748460_100000187904 [0,1,0,1,0,0|2,0,0]=4 21218 B17R2.384 O=C(N[C@H]1CCC[C@@H]1O)c2ccc(cc2)O 240690a_100000748460_100000212099 [0,1,0,1,0,0|2,0,0]=4 21219 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Br 11a_100000754278_100000185839 [0,1,0,1,0,0|1,0,0]=3 21220 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Br 1626a_100000754278_100000185839 [0,1,0,1,0,0|1,0,0]=3 21221 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Br 240690a_100000754278_100000185839 [0,1,0,1,0,0|1,0,0]=3 21222 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Br 527a_100000754278_100000185839 [0,1,0,1,0,0|1,0,0]=3 21223 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)C 11a_100000754278_100000188618 [0,1,0,1,0,0|1,0,0]=3 21224 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)C 1626a_100000754278_100000188618 [0,1,0,1,0,0|1,0,0]=3 21225 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)C 240690a_100000754278_100000188618 [0,1,0,1,0,0|1,0,0]=3 21226 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)C 527a_100000754278_100000188618 [0,1,0,1,0,0|1,0,0]=3 21227 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Cl 11a_100000754278_100000210187 [0,1,0,1,0,0|1,0,0]=3 21228 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Cl 1626a_100000754278_100000210187 [0,1,0,1,0,0|1,0,0]=3 21229 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Cl 240690a_100000754278_100000210187 [0,1,0,1,0,0|1,0,0]=3 21230 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)Cl 527a_100000754278_100000210187 [0,1,0,1,0,0|1,0,0]=3 21231 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)F 11a_100000754278_100000187176 [0,1,0,1,0,0|1,0,0]=3 21232 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)F 1626a_100000754278_100000187176 [0,1,0,1,0,0|1,0,0]=3 21233 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)F 240690a_100000754278_100000187176 [0,1,0,1,0,0|1,0,0]=3 21234 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)F 527a_100000754278_100000187176 [0,1,0,1,0,0|1,0,0]=3 21235 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)I 11a_100000754278_100000187904 [0,1,0,1,0,0|1,0,0]=3 21236 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)I 1626a_100000754278_100000187904 [0,1,0,1,0,0|1,0,0]=3 21237 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)I 240690a_100000754278_100000187904 [0,1,0,1,0,0|1,0,0]=3 21238 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)I 527a_100000754278_100000187904 [0,1,0,1,0,0|1,0,0]=3 21239 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)O 240690a_100000754278_100000212099 [0,1,0,1,0,0|1,0,0]=3 21240 B17R2.3190 CCC1CCCN1C(=O)c2ccc(cc2)O 527a_100000754278_100000212099 [0,1,0,1,0,0|1,0,0]=3 21241 B17R2.3190 Cc1ccc(cc1)C(=O)N2CCC[C@@H]2CO 240690a_100000745186_100000188618 [0,1,0,1,0,0|2,0,0]=4 21242 B17R2.3190 Cc1ccc(cc1)C(=O)N2CCC[C@@H]2CO 527a_100000745186_100000188618 [0,1,0,1,0,0|2,0,0]=4 21243 B17R2.3190 O=C(c1ccc(cc1)Br)N2CCC[C@@H]2CO 240690a_100000745186_100000185839 [0,1,0,1,0,0|2,0,0]=4 21244 B17R2.3190 O=C(c1ccc(cc1)Br)N2CCC[C@@H]2CO 527a_100000745186_100000185839 [0,1,0,1,0,0|2,0,0]=4 21245 B17R2.3190 O=C(c1ccc(cc1)Cl)N2CCC[C@@H]2CO 240690a_100000745186_100000210187 [0,1,0,1,0,0|2,0,0]=4 21246 B17R2.3190 O=C(c1ccc(cc1)Cl)N2CCC[C@@H]2CO 527a_100000745186_100000210187 [0,1,0,1,0,0|2,0,0]=4 21247 B17R2.3190 O=C(c1ccc(cc1)F)N2CCC[C@@H]2CO 240690a_100000745186_100000187176 [0,1,0,1,0,0|2,0,0]=4 21248 B17R2.3190 O=C(c1ccc(cc1)F)N2CCC[C@@H]2CO 527a_100000745186_100000187176 [0,1,0,1,0,0|2,0,0]=4 21249 B17R2.3190 O=C(c1ccc(cc1)I)N2CCC[C@@H]2CO 240690a_100000745186_100000187904 [0,1,0,1,0,0|2,0,0]=4 21250 B17R2.3190 O=C(c1ccc(cc1)I)N2CCC[C@@H]2CO 527a_100000745186_100000187904 [0,1,0,1,0,0|2,0,0]=4 21251 B17R2.3190 O=C(c1ccc(cc1)O)N2CCC[C@@H]2CO 240690a_100000745186_100000212099 [0,1,0,1,0,0|2,0,0]=4 21252 B17R2.3190 O=C(c1ccc(cc1)O)N2CCC[C@@H]2CO 527a_100000745186_100000212099 [0,1,0,1,0,0|2,0,0]=4 21253 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Br 11a_100015195929_100000185839 [0,1,0,1,0,0|2,0,0]=4 21254 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Br 1626a_100015195929_100000185839 [0,1,0,1,0,0|2,0,0]=4 21255 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Br 240690a_100015195929_100000185839 [0,1,0,1,0,0|2,0,0]=4 21256 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Br 527a_100015195929_100000185839 [0,1,0,1,0,0|2,0,0]=4 21257 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)C 11a_100015195929_100000188618 [0,1,0,1,0,0|2,0,0]=4 21258 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)C 1626a_100015195929_100000188618 [0,1,0,1,0,0|2,0,0]=4 21259 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)C 240690a_100015195929_100000188618 [0,1,0,1,0,0|2,0,0]=4 21260 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)C 527a_100015195929_100000188618 [0,1,0,1,0,0|2,0,0]=4 21261 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Cl 11a_100015195929_100000210187 [0,1,0,1,0,0|2,0,0]=4 21262 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Cl 1626a_100015195929_100000210187 [0,1,0,1,0,0|2,0,0]=4 21263 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Cl 240690a_100015195929_100000210187 [0,1,0,1,0,0|2,0,0]=4 21264 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)Cl 527a_100015195929_100000210187 [0,1,0,1,0,0|2,0,0]=4 21265 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)F 11a_100015195929_100000187176 [0,1,0,1,0,0|2,0,0]=4 21266 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)F 1626a_100015195929_100000187176 [0,1,0,1,0,0|2,0,0]=4 21267 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)F 240690a_100015195929_100000187176 [0,1,0,1,0,0|2,0,0]=4 21268 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)F 527a_100015195929_100000187176 [0,1,0,1,0,0|2,0,0]=4 21269 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)I 11a_100015195929_100000187904 [0,1,0,1,0,0|2,0,0]=4 21270 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)I 1626a_100015195929_100000187904 [0,1,0,1,0,0|2,0,0]=4 21271 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)I 240690a_100015195929_100000187904 [0,1,0,1,0,0|2,0,0]=4 21272 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)I 527a_100015195929_100000187904 [0,1,0,1,0,0|2,0,0]=4 21273 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)O 240690a_100015195929_100000212099 [0,1,0,1,0,0|2,0,0]=4 21274 B17R2.3194 COCC1CCN1C(=O)c2ccc(cc2)O 527a_100015195929_100000212099 [0,1,0,1,0,0|2,0,0]=4 21275 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)Br 34a_100000742336_100000755118 [0,1,0,1,0,0|1,0,1]=4 21276 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)Br 34a_100000745893_100000740388 [0,1,0,1,0,0|1,0,1]=4 21277 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)Br 7a_100000745893_100000740388 [0,1,0,1,0,0|1,0,1]=4 21278 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)Cl 7a_100000742336_100000684792 [0,1,0,1,0,0|1,0,1]=4 21279 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)F 34a_100000181323_100000740388 [0,1,0,1,0,0|1,0,1]=4 21280 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)F 34a_100000742336_100000743420 [0,1,0,1,0,0|1,0,1]=4 21281 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)F 7a_100000181323_100000740388 [0,1,0,1,0,0|1,0,1]=4 21282 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)F 7a_100000742336_100000743420 [0,1,0,1,0,0|1,0,1]=4 21283 B17R2.3283 CC(OCC1CCCC1)c2ccc(cc2)N 34a_100011216399_100000740388 [0,1,0,1,0,0|1,0,1]=4 21284 B17R2.3283 C[C@H](OCC1CCCC1)c2ccc(cc2)Cl 34a_100011852131_100000740388 [0,1,0,1,0,0|1,0,1]=4 21285 B17R2.3283 C[C@H](OCC1CCCC1)c2ccc(cc2)Cl 7a_100011852131_100000740388 [0,1,0,1,0,0|1,0,1]=4 21286 B17R2.3283 Cc1ccc(cc1)C(=O)CCC2CCCC2 1458a_100000188618_100000760354 [0,1,0,1,0,0|1,0,0]=3 21287 B17R2.3283 Cc1ccc(cc1)C(=O)CCN2CCCC2 1458a_100000188618_100000004467 [0,1,0,1,0,0|2,0,0]=4 21288 B17R2.3283 Cc1ccc(cc1)C(=O)CCN2CCCC2 2230a_100000188435_100000701375 [0,1,0,1,0,0|2,0,0]=4 21289 B17R2.3283 Cc1ccc(cc1)C(=O)CCN2CCCC2 269982a_100000188435_100000701375 [0,1,0,1,0,0|2,0,0]=4 21290 B17R2.3283 Cc1ccc(cc1)C(=O)CNC2CCCC2 2230a_100000211070_100000211441 [0,1,0,1,0,0|2,0,0]=4 21291 B17R2.3283 Cc1ccc(cc1)C(=O)CNC2CCCC2 34a_100000211070_100000211441 [0,1,0,1,0,0|2,0,0]=4 21292 B17R2.3283 Cc1ccc(cc1)C(=O)COC2CCCC2 34a_100000210269_100000211441 [0,1,0,1,0,0|2,0,0]=4 21293 B17R2.3283 Cc1ccc(cc1)C(=O)COC2CCCC2 7a_100000210269_100000211441 [0,1,0,1,0,0|2,0,0]=4 21294 B17R2.3283 Cc1ccc(cc1)C(=O)CSC2CCCC2 62a_100000211441_100000179811 [0,1,0,1,0,0|2,0,0]=4 21295 B17R2.3283 Cc1ccc(cc1)C(=O)CSC2CCCC2 62a_100011217020_100000211441 [0,1,0,1,0,0|2,0,0]=4 21296 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCCC2 11a_100000737975_100000188618 [0,1,0,1,0,0|1,0,0]=3 21297 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCCC2 1626a_100000737975_100000188618 [0,1,0,1,0,0|1,0,0]=3 21298 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCCC2 240690a_100000737975_100000188618 [0,1,0,1,0,0|1,0,0]=3 21299 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCCC2 527a_100000737975_100000188618 [0,1,0,1,0,0|1,0,0]=3 21300 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCOC2 11a_100000737293_100000188618 [0,1,0,1,0,0|2,0,0]=4 21301 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCOC2 1626a_100000737293_100000188618 [0,1,0,1,0,0|2,0,0]=4 21302 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCOC2 240690a_100000737293_100000188618 [0,1,0,1,0,0|2,0,0]=4 21303 B17R2.3283 Cc1ccc(cc1)C(=O)NCC2CCOC2 527a_100000737293_100000188618 [0,1,0,1,0,0|2,0,0]=4 21304 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@@H]2CCCO2 11a_100020590478_100000188618 [0,1,0,1,0,0|2,0,0]=4 21305 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@@H]2CCCO2 1626a_100020590478_100000188618 [0,1,0,1,0,0|2,0,0]=4 21306 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@@H]2CCCO2 240690a_100020590478_100000188618 [0,1,0,1,0,0|2,0,0]=4 21307 B17R2.3283 Cc1ccc(cc1)C(=O)NC[C@@H]2CCCO2 527a_100020590478_100000188618 [0,1,0,1,0,0|2,0,0]=4 21308 B17R2.3283 Cc1ccc(cc1)C(=O)NNC2CCCC2 22a_100000737850_100000188618 [0,1,0,1,0,0|2,0,0]=4 21309 B17R2.3283 Cc1ccc(cc1)C(C)OCC2CCCC2 34a_100000742336_100011261388 [0,1,0,1,0,0|1,0,1]=4 21310 B17R2.3283 Cc1ccc(cc1)C(C)OCC2CCCC2 7a_100000742336_100011261388 [0,1,0,1,0,0|1,0,1]=4 21311 B17R2.3283 Cc1ccc(cc1)[C@@H](C)OCC2CCCC2 34a_100000690690_100000740388 [0,1,0,1,0,0|1,0,1]=4 21312 B17R2.3283 Cc1ccc(cc1)[C@@H](C)OCC2CCCC2 7a_100000690690_100000740388 [0,1,0,1,0,0|1,0,1]=4 21313 B17R2.3283 O=C(CCC1CCCC1)c2ccc(cc2)Br 1458a_100000185839_100000760354 [0,1,0,1,0,0|1,0,0]=3 21314 B17R2.3283 O=C(CCC1CCCC1)c2ccc(cc2)Cl 1458a_100000210187_100000760354 [0,1,0,1,0,0|1,0,0]=3 21315 B17R2.3283 O=C(CCC1CCCC1)c2ccc(cc2)F 1458a_100000187176_100000760354 [0,1,0,1,0,0|1,0,0]=3 21316 B17R2.3283 O=C(CCC1CCCC1)c2ccc(cc2)I 1458a_100000187904_100000760354 [0,1,0,1,0,0|1,0,0]=3 21317 B17R2.3283 O=C(CCC1CCCC1)c2ccc(cc2)O 1458a_100000212099_100000760354 [0,1,0,1,0,0|1,0,0]=3 21318 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)Br 1458a_100000185839_100000004467 [0,1,0,1,0,0|2,0,0]=4 21319 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)Br 269982a_100000188435_100011215963 [0,1,0,1,0,0|2,0,0]=4 21320 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)Cl 1458a_100000210187_100000004467 [0,1,0,1,0,0|2,0,0]=4 21321 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)Cl 269982a_100000188435_100011216492 [0,1,0,1,0,0|2,0,0]=4 21322 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)F 1458a_100000187176_100000004467 [0,1,0,1,0,0|2,0,0]=4 21323 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)F 2230a_100000188435_100000211231 [0,1,0,1,0,0|2,0,0]=4 21324 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)F 269982a_100000188435_100000211231 [0,1,0,1,0,0|2,0,0]=4 21325 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)I 1458a_100000187904_100000004467 [0,1,0,1,0,0|2,0,0]=4 21326 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)O 1458a_100000212099_100000004467 [0,1,0,1,0,0|2,0,0]=4 21327 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)O 2230a_100000188435_100009879949 [0,1,0,1,0,0|2,0,0]=4 21328 B17R2.3283 O=C(CCN1CCCC1)c2ccc(cc2)O 269982a_100000188435_100009879949 [0,1,0,1,0,0|2,0,0]=4 21329 B17R2.3283 O=C(CNC1CCCC1)c2ccc(cc2)Br 34a_100000211070_100000188085 [0,1,0,1,0,0|2,0,0]=4 21330 B17R2.3283 O=C(CNC1CCCC1)c2ccc(cc2)I 34a_100000211070_100011216261 [0,1,0,1,0,0|2,0,0]=4 21331 B17R2.3283 O=C(CNC1CCCC1)c2ccc(cc2)O 34a_100000211070_100009814261 [0,1,0,1,0,0|2,0,0]=4 21332 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)Br 34a_100000210269_100000188085 [0,1,0,1,0,0|2,0,0]=4 21333 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)Br 7a_100000210269_100000188085 [0,1,0,1,0,0|2,0,0]=4 21334 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)Cl 7a_100000210269_100000211071 [0,1,0,1,0,0|2,0,0]=4 21335 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)F 34a_100000246311_100000179811 [0,1,0,1,0,0|2,0,0]=4 21336 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)F 7a_100000210269_100000211279 [0,1,0,1,0,0|2,0,0]=4 21337 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)I 34a_100000210269_100011216261 [0,1,0,1,0,0|2,0,0]=4 21338 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)I 7a_100000210269_100011216261 [0,1,0,1,0,0|2,0,0]=4 21339 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)O 34a_100000210269_100009814261 [0,1,0,1,0,0|2,0,0]=4 21340 B17R2.3283 O=C(COC1CCCC1)c2ccc(cc2)O 7a_100000210269_100000018856 [0,1,0,1,0,0|2,0,0]=4 21341 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)Br 62a_100000188085_100000179811 [0,1,0,1,0,0|2,0,0]=4 21342 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)Cl 62a_100000211071_100000179811 [0,1,0,1,0,0|2,0,0]=4 21343 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)Cl 62a_100011217020_100000211071 [0,1,0,1,0,0|2,0,0]=4 21344 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)F 62a_100000211279_100000179811 [0,1,0,1,0,0|2,0,0]=4 21345 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)F 62a_100011217020_100000211279 [0,1,0,1,0,0|2,0,0]=4 21346 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)I 62a_100011216261_100000179811 [0,1,0,1,0,0|2,0,0]=4 21347 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)I 62a_100011217020_100011216261 [0,1,0,1,0,0|2,0,0]=4 21348 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)O 62a_100009814261_100000179811 [0,1,0,1,0,0|2,0,0]=4 21349 B17R2.3283 O=C(CSC1CCCC1)c2ccc(cc2)O 62a_100011217020_100009814261 [0,1,0,1,0,0|2,0,0]=4 21350 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Br 11a_100000737975_100000185839 [0,1,0,1,0,0|1,0,0]=3 21351 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Br 1626a_100000737975_100000185839 [0,1,0,1,0,0|1,0,0]=3 21352 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Br 240690a_100000737975_100000185839 [0,1,0,1,0,0|1,0,0]=3 21353 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Br 527a_100000737975_100000185839 [0,1,0,1,0,0|1,0,0]=3 21354 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Cl 11a_100000737975_100000210187 [0,1,0,1,0,0|1,0,0]=3 21355 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Cl 1626a_100000737975_100000210187 [0,1,0,1,0,0|1,0,0]=3 21356 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Cl 240690a_100000737975_100000210187 [0,1,0,1,0,0|1,0,0]=3 21357 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)Cl 527a_100000737975_100000210187 [0,1,0,1,0,0|1,0,0]=3 21358 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)F 11a_100000737975_100000187176 [0,1,0,1,0,0|1,0,0]=3 21359 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)F 1626a_100000737975_100000187176 [0,1,0,1,0,0|1,0,0]=3 21360 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)F 240690a_100000737975_100000187176 [0,1,0,1,0,0|1,0,0]=3 21361 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)F 527a_100000737975_100000187176 [0,1,0,1,0,0|1,0,0]=3 21362 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)I 11a_100000737975_100000187904 [0,1,0,1,0,0|1,0,0]=3 21363 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)I 1626a_100000737975_100000187904 [0,1,0,1,0,0|1,0,0]=3 21364 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)I 240690a_100000737975_100000187904 [0,1,0,1,0,0|1,0,0]=3 21365 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)I 527a_100000737975_100000187904 [0,1,0,1,0,0|1,0,0]=3 21366 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)O 240690a_100000737975_100000212099 [0,1,0,1,0,0|1,0,0]=3 21367 B17R2.3283 O=C(NCC1CCCC1)c2ccc(cc2)O 527a_100000737975_100000212099 [0,1,0,1,0,0|1,0,0]=3 21368 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Br 11a_100000737293_100000185839 [0,1,0,1,0,0|2,0,0]=4 21369 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Br 1626a_100000737293_100000185839 [0,1,0,1,0,0|2,0,0]=4 21370 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Br 240690a_100000737293_100000185839 [0,1,0,1,0,0|2,0,0]=4 21371 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Br 527a_100000737293_100000185839 [0,1,0,1,0,0|2,0,0]=4 21372 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Cl 11a_100000737293_100000210187 [0,1,0,1,0,0|2,0,0]=4 21373 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Cl 1626a_100000737293_100000210187 [0,1,0,1,0,0|2,0,0]=4 21374 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Cl 240690a_100000737293_100000210187 [0,1,0,1,0,0|2,0,0]=4 21375 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)Cl 527a_100000737293_100000210187 [0,1,0,1,0,0|2,0,0]=4 21376 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)F 11a_100000737293_100000187176 [0,1,0,1,0,0|2,0,0]=4 21377 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)F 1626a_100000737293_100000187176 [0,1,0,1,0,0|2,0,0]=4 21378 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)F 240690a_100000737293_100000187176 [0,1,0,1,0,0|2,0,0]=4 21379 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)F 527a_100000737293_100000187176 [0,1,0,1,0,0|2,0,0]=4 21380 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)I 11a_100000737293_100000187904 [0,1,0,1,0,0|2,0,0]=4 21381 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)I 1626a_100000737293_100000187904 [0,1,0,1,0,0|2,0,0]=4 21382 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)I 240690a_100000737293_100000187904 [0,1,0,1,0,0|2,0,0]=4 21383 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)I 527a_100000737293_100000187904 [0,1,0,1,0,0|2,0,0]=4 21384 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)O 240690a_100000737293_100000212099 [0,1,0,1,0,0|2,0,0]=4 21385 B17R2.3283 O=C(NCC1CCOC1)c2ccc(cc2)O 527a_100000737293_100000212099 [0,1,0,1,0,0|2,0,0]=4 21386 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Br 11a_100020590478_100000185839 [0,1,0,1,0,0|2,0,0]=4 21387 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Br 1626a_100020590478_100000185839 [0,1,0,1,0,0|2,0,0]=4 21388 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Br 240690a_100020590478_100000185839 [0,1,0,1,0,0|2,0,0]=4 21389 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Br 527a_100020590478_100000185839 [0,1,0,1,0,0|2,0,0]=4 21390 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Cl 11a_100020590478_100000210187 [0,1,0,1,0,0|2,0,0]=4 21391 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Cl 1626a_100020590478_100000210187 [0,1,0,1,0,0|2,0,0]=4 21392 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Cl 240690a_100020590478_100000210187 [0,1,0,1,0,0|2,0,0]=4 21393 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)Cl 527a_100020590478_100000210187 [0,1,0,1,0,0|2,0,0]=4 21394 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)F 11a_100020590478_100000187176 [0,1,0,1,0,0|2,0,0]=4 21395 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)F 1626a_100020590478_100000187176 [0,1,0,1,0,0|2,0,0]=4 21396 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)F 240690a_100020590478_100000187176 [0,1,0,1,0,0|2,0,0]=4 21397 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)F 527a_100020590478_100000187176 [0,1,0,1,0,0|2,0,0]=4 21398 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)I 11a_100020590478_100000187904 [0,1,0,1,0,0|2,0,0]=4 21399 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)I 1626a_100020590478_100000187904 [0,1,0,1,0,0|2,0,0]=4 21400 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)I 240690a_100020590478_100000187904 [0,1,0,1,0,0|2,0,0]=4 21401 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)I 527a_100020590478_100000187904 [0,1,0,1,0,0|2,0,0]=4 21402 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)O 240690a_100020590478_100000212099 [0,1,0,1,0,0|2,0,0]=4 21403 B17R2.3283 O=C(NC[C@@H]1CCCO1)c2ccc(cc2)O 527a_100020590478_100000212099 [0,1,0,1,0,0|2,0,0]=4 21404 B17R2.3283 O=C(NNC1CCCC1)c2ccc(cc2)Br 22a_100000737850_100000185839 [0,1,0,1,0,0|2,0,0]=4 21405 B17R2.3283 O=C(NNC1CCCC1)c2ccc(cc2)Cl 22a_100000737850_100000210187 [0,1,0,1,0,0|2,0,0]=4 21406 B17R2.3283 O=C(NNC1CCCC1)c2ccc(cc2)F 22a_100000737850_100000187176 [0,1,0,1,0,0|2,0,0]=4 21407 B17R2.3283 O=C(NNC1CCCC1)c2ccc(cc2)I 22a_100000737850_100000187904 [0,1,0,1,0,0|2,0,0]=4 21408 B17R2.3283 O=C(NNC1CCCC1)c2ccc(cc2)O 22a_100000737850_100000212099 [0,1,0,1,0,0|2,0,0]=4 21409 B17R2.3283 [2H]C(OCC1CCCC1)c2ccc(cc2)F 34a_217856618577_100000740388 [0,1,0,1,0,0|1,0,1]=4 21410 B17R2.3283 [2H]C(OCC1CCCC1)c2ccc(cc2)F 7a_217856618577_100000740388 [0,1,0,1,0,0|1,0,1]=4 21411 B17R2.56621 Cc1ccc(cc1)C(=O)C2CCCCCC2 1458a_100000188618_100011217769 [0,1,0,1,0,0|1,0,0]=3 21412 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCCCC2 11a_100000185865_100000188618 [0,1,0,1,0,0|1,0,0]=3 21413 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCCCC2 1626a_100000185865_100000188618 [0,1,0,1,0,0|1,0,0]=3 21414 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCCCC2 240690a_100000185865_100000188618 [0,1,0,1,0,0|1,0,0]=3 21415 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCCCC2 527a_100000185865_100000188618 [0,1,0,1,0,0|1,0,0]=3 21416 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCOCC2 11a_100000685342_100000188618 [0,1,0,1,0,0|2,0,0]=4 21417 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCOCC2 1626a_100000685342_100000188618 [0,1,0,1,0,0|2,0,0]=4 21418 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCOCC2 240690a_100000685342_100000188618 [0,1,0,1,0,0|2,0,0]=4 21419 B17R2.56621 Cc1ccc(cc1)C(=O)N2CCCOCC2 527a_100000685342_100000188618 [0,1,0,1,0,0|2,0,0]=4 21420 B17R2.56621 O=C(c1ccc(cc1)Br)C2CCCCCC2 1458a_100000185839_100011217769 [0,1,0,1,0,0|1,0,0]=3 21421 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCCCC2 11a_100000185865_100000185839 [0,1,0,1,0,0|1,0,0]=3 21422 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCCCC2 1626a_100000185865_100000185839 [0,1,0,1,0,0|1,0,0]=3 21423 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCCCC2 240690a_100000185865_100000185839 [0,1,0,1,0,0|1,0,0]=3 21424 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCCCC2 527a_100000185865_100000185839 [0,1,0,1,0,0|1,0,0]=3 21425 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCOCC2 11a_100000685342_100000185839 [0,1,0,1,0,0|2,0,0]=4 21426 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCOCC2 1626a_100000685342_100000185839 [0,1,0,1,0,0|2,0,0]=4 21427 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCOCC2 240690a_100000685342_100000185839 [0,1,0,1,0,0|2,0,0]=4 21428 B17R2.56621 O=C(c1ccc(cc1)Br)N2CCCOCC2 527a_100000685342_100000185839 [0,1,0,1,0,0|2,0,0]=4 21429 B17R2.56621 O=C(c1ccc(cc1)Cl)C2CCCCCC2 1458a_100000210187_100011217769 [0,1,0,1,0,0|1,0,0]=3 21430 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCCCC2 11a_100000185865_100000210187 [0,1,0,1,0,0|1,0,0]=3 21431 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCCCC2 1626a_100000185865_100000210187 [0,1,0,1,0,0|1,0,0]=3 21432 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCCCC2 240690a_100000185865_100000210187 [0,1,0,1,0,0|1,0,0]=3 21433 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCCCC2 527a_100000185865_100000210187 [0,1,0,1,0,0|1,0,0]=3 21434 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCOCC2 11a_100000685342_100000210187 [0,1,0,1,0,0|2,0,0]=4 21435 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCOCC2 1626a_100000685342_100000210187 [0,1,0,1,0,0|2,0,0]=4 21436 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCOCC2 240690a_100000685342_100000210187 [0,1,0,1,0,0|2,0,0]=4 21437 B17R2.56621 O=C(c1ccc(cc1)Cl)N2CCCOCC2 527a_100000685342_100000210187 [0,1,0,1,0,0|2,0,0]=4 21438 B17R2.56621 O=C(c1ccc(cc1)F)C2CCCCCC2 1458a_100000187176_100011217769 [0,1,0,1,0,0|1,0,0]=3 21439 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCCCC2 11a_100000185865_100000187176 [0,1,0,1,0,0|1,0,0]=3 21440 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCCCC2 1626a_100000185865_100000187176 [0,1,0,1,0,0|1,0,0]=3 21441 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCCCC2 240690a_100000185865_100000187176 [0,1,0,1,0,0|1,0,0]=3 21442 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCCCC2 527a_100000185865_100000187176 [0,1,0,1,0,0|1,0,0]=3 21443 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCOCC2 11a_100000685342_100000187176 [0,1,0,1,0,0|2,0,0]=4 21444 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCOCC2 1626a_100000685342_100000187176 [0,1,0,1,0,0|2,0,0]=4 21445 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCOCC2 240690a_100000685342_100000187176 [0,1,0,1,0,0|2,0,0]=4 21446 B17R2.56621 O=C(c1ccc(cc1)F)N2CCCOCC2 527a_100000685342_100000187176 [0,1,0,1,0,0|2,0,0]=4 21447 B17R2.56621 O=C(c1ccc(cc1)I)C2CCCCCC2 1458a_100000187904_100011217769 [0,1,0,1,0,0|1,0,0]=3 21448 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCCCC2 11a_100000185865_100000187904 [0,1,0,1,0,0|1,0,0]=3 21449 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCCCC2 1626a_100000185865_100000187904 [0,1,0,1,0,0|1,0,0]=3 21450 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCCCC2 240690a_100000185865_100000187904 [0,1,0,1,0,0|1,0,0]=3 21451 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCCCC2 527a_100000185865_100000187904 [0,1,0,1,0,0|1,0,0]=3 21452 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCOCC2 11a_100000685342_100000187904 [0,1,0,1,0,0|2,0,0]=4 21453 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCOCC2 1626a_100000685342_100000187904 [0,1,0,1,0,0|2,0,0]=4 21454 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCOCC2 240690a_100000685342_100000187904 [0,1,0,1,0,0|2,0,0]=4 21455 B17R2.56621 O=C(c1ccc(cc1)I)N2CCCOCC2 527a_100000685342_100000187904 [0,1,0,1,0,0|2,0,0]=4 21456 B17R2.56621 O=C(c1ccc(cc1)O)C2CCCCCC2 1458a_100000212099_100011217769 [0,1,0,1,0,0|1,0,0]=3 21457 B17R2.56621 O=C(c1ccc(cc1)O)N2CCCCCC2 240690a_100000185865_100000212099 [0,1,0,1,0,0|1,0,0]=3 21458 B17R2.56621 O=C(c1ccc(cc1)O)N2CCCCCC2 527a_100000185865_100000212099 [0,1,0,1,0,0|1,0,0]=3 21459 B17R2.56621 O=C(c1ccc(cc1)O)N2CCCOCC2 240690a_100000685342_100000212099 [0,1,0,1,0,0|2,0,0]=4 21460 B17R2.56621 O=C(c1ccc(cc1)O)N2CCCOCC2 527a_100000685342_100000212099 [0,1,0,1,0,0|2,0,0]=4 21461 B17R2.56628 Cc1ccc(cc1)C(=O)CCNCC2CC2 2230a_100000735609_100000701375 [0,1,0,1,0,0|2,0,0]=4 21462 B17R2.56628 Cc1ccc(cc1)C(=O)CCSCC2CC2 62a_100000701375_100000742324 [0,1,0,1,0,0|2,0,0]=4 21463 B17R2.56628 Cc1ccc(cc1)C(=O)CCSCC2CC2 62a_100000756562_100000701375 [0,1,0,1,0,0|2,0,0]=4 21464 B17R2.56628 Cc1ccc(cc1)C(=O)CNCCC2CC2 34a_100000764129_100000211441 [0,1,0,1,0,0|2,0,0]=4 21465 B17R2.56628 Cc1ccc(cc1)C(=O)COCCC2CC2 34a_100000754188_100000211441 [0,1,0,1,0,0|2,0,0]=4 21466 B17R2.56628 Cc1ccc(cc1)C(=O)COCCC2CC2 7a_100000754188_100000211441 [0,1,0,1,0,0|2,0,0]=4 21467 B17R2.56628 Cc1ccc(cc1)C(=O)CSCCC2CC2 62a_100000211441_100000764125 [0,1,0,1,0,0|2,0,0]=4 21468 B17R2.56628 Cc1ccc(cc1)C(=O)CSCCC2CC2 62a_100000764125_100000211441 [0,1,0,1,0,0|2,0,0]=4 21469 B17R2.56628 Cc1ccc(cc1)C(=O)NCCOC2CC2 34a_200000158910_100000211595 [0,1,0,1,0,0|2,0,0]=4 21470 B17R2.56628 Nc1ccc(cc1)C(=O)NCCOC2CC2 34a_100000740983_100000211595 [0,1,0,1,0,0|2,0,0]=4 21471 B17R2.56628 O=C(CCCNC1CC1)c2ccc(cc2)Br 34a_100000212008_100000211046 [0,1,0,1,0,0|2,0,0]=4 21472 B17R2.56628 O=C(CCCSC1CC1)c2ccc(cc2)Br 62a_100000211046_100000211595 [0,1,0,1,0,0|2,0,0]=4 21473 B17R2.56628 O=C(CCCSC1CC1)c2ccc(cc2)Cl 62a_200011217871_100000211595 [0,1,0,1,0,0|2,0,0]=4 21474 B17R2.56628 O=C(CCCSC1CC1)c2ccc(cc2)F 62a_100000211961_100000211595 [0,1,0,1,0,0|2,0,0]=4 21475 B17R2.56628 O=C(CCNCC1CC1)c2ccc(cc2)F 2230a_100000735609_100000211231 [0,1,0,1,0,0|2,0,0]=4 21476 B17R2.56628 O=C(CCNCC1CC1)c2ccc(cc2)O 2230a_100000735609_100009879949 [0,1,0,1,0,0|2,0,0]=4 21477 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)Br 62a_100000756562_100011215963 [0,1,0,1,0,0|2,0,0]=4 21478 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)Br 62a_100011215963_100000742324 [0,1,0,1,0,0|2,0,0]=4 21479 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)Cl 62a_100000756562_100011216492 [0,1,0,1,0,0|2,0,0]=4 21480 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)Cl 62a_100011216492_100000742324 [0,1,0,1,0,0|2,0,0]=4 21481 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)F 62a_100000211231_100000742324 [0,1,0,1,0,0|2,0,0]=4 21482 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)F 62a_100000756562_100000211231 [0,1,0,1,0,0|2,0,0]=4 21483 B17R2.56628 O=C(CCSCC1CC1)c2ccc(cc2)O 62a_100000756562_100009879949 [0,1,0,1,0,0|2,0,0]=4 21484 B17R2.56628 O=C(CNCCC1CC1)c2ccc(cc2)Br 34a_100000764129_100000188085 [0,1,0,1,0,0|2,0,0]=4 21485 B17R2.56628 O=C(CNCCC1CC1)c2ccc(cc2)I 34a_100000764129_100011216261 [0,1,0,1,0,0|2,0,0]=4 21486 B17R2.56628 O=C(CNCCC1CC1)c2ccc(cc2)O 34a_100000764129_100009814261 [0,1,0,1,0,0|2,0,0]=4 21487 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)Br 34a_100000754188_100000188085 [0,1,0,1,0,0|2,0,0]=4 21488 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)Br 7a_100000754188_100000188085 [0,1,0,1,0,0|2,0,0]=4 21489 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)Cl 7a_100000754188_100000211071 [0,1,0,1,0,0|2,0,0]=4 21490 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)F 34a_100000246311_100000694398 [0,1,0,1,0,0|2,0,0]=4 21491 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)F 7a_100000754188_100000211279 [0,1,0,1,0,0|2,0,0]=4 21492 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)I 34a_100000754188_100011216261 [0,1,0,1,0,0|2,0,0]=4 21493 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)I 7a_100000754188_100011216261 [0,1,0,1,0,0|2,0,0]=4 21494 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)O 34a_100000754188_100009814261 [0,1,0,1,0,0|2,0,0]=4 21495 B17R2.56628 O=C(COCCC1CC1)c2ccc(cc2)O 7a_100000754188_100000018856 [0,1,0,1,0,0|2,0,0]=4 21496 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)Br 62a_100000188085_100000764125 [0,1,0,1,0,0|2,0,0]=4 21497 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)Cl 62a_100000211071_100000764125 [0,1,0,1,0,0|2,0,0]=4 21498 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)Cl 62a_100000764125_100000211071 [0,1,0,1,0,0|2,0,0]=4 21499 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)F 62a_100000211279_100000764125 [0,1,0,1,0,0|2,0,0]=4 21500 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)F 62a_100000764125_100000211279 [0,1,0,1,0,0|2,0,0]=4 21501 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)I 62a_100000764125_100011216261 [0,1,0,1,0,0|2,0,0]=4 21502 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)I 62a_100011216261_100000764125 [0,1,0,1,0,0|2,0,0]=4 21503 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)O 62a_100000764125_100009814261 [0,1,0,1,0,0|2,0,0]=4 21504 B17R2.56628 O=C(CSCCC1CC1)c2ccc(cc2)O 62a_100009814261_100000764125 [0,1,0,1,0,0|2,0,0]=4 21505 B17R2.56628 O=C(NCCNC1CC1)c2ccc(cc2)Cl 34a_100000736292_100000211595 [0,1,0,1,0,0|2,0,0]=4 21506 B17R2.56628 O=C(NCCNC1CC1)c2ccc(cc2)F 34a_100000753910_100000211595 [0,1,0,1,0,0|2,0,0]=4 21507 B17R2.56628 O=C(NCCOC1CC1)c2ccc(cc2)Br 34a_200000158904_100000211595 [0,1,0,1,0,0|2,0,0]=4 21508 B17R2.56639 Cc1ccc(cc1)C(=O)CCNC2CCC2 2230a_100000749019_100000701375 [0,1,0,1,0,0|2,0,0]=4 21509 B17R2.56639 Cc1ccc(cc1)C(=O)CCSC2CCC2 62a_100000701375_100000749161 [0,1,0,1,0,0|2,0,0]=4 21510 B17R2.56639 Cc1ccc(cc1)C(=O)CNCC2CCC2 2230a_100000738700_100000211441 [0,1,0,1,0,0|2,0,0]=4 21511 B17R2.56639 Cc1ccc(cc1)C(=O)CNCC2CCC2 34a_100000738700_100000211441 [0,1,0,1,0,0|2,0,0]=4 21512 B17R2.56639 Cc1ccc(cc1)C(=O)COCC2CCC2 34a_100000760304_100000211441 [0,1,0,1,0,0|2,0,0]=4 21513 B17R2.56639 Cc1ccc(cc1)C(=O)CSCC2CCC2 62a_100000211441_100000763275 [0,1,0,1,0,0|2,0,0]=4 21514 B17R2.56639 Cc1ccc(cc1)C(=O)CSCC2CCC2 62a_100000763275_100000211441 [0,1,0,1,0,0|2,0,0]=4 21515 B17R2.56639 Cc1ccc(cc1)C(=O)NCCN2CCC2 240690a_100000691440_100000188618 [0,1,0,1,0,0|2,0,0]=4 21516 B17R2.56639 Cc1ccc(cc1)C(=O)NNCC2CCC2 22a_200020586977_100000188618 [0,1,0,1,0,0|2,0,0]=4 21517 B17R2.56639 O=C(CCCN1CCC1)c2ccc(cc2)Br 269982a_100000754969_100000211046 [0,1,0,1,0,0|2,0,0]=4 21518 B17R2.56639 O=C(CCCN1CCC1)c2ccc(cc2)Cl 269982a_100000754969_200011217871 [0,1,0,1,0,0|2,0,0]=4 21519 B17R2.56639 O=C(CCCN1CCC1)c2ccc(cc2)F 269982a_100000754969_100000211961 [0,1,0,1,0,0|2,0,0]=4 21520 B17R2.56639 O=C(CCCN1CCC1)c2ccc(cc2)O 269982a_100000754969_100000039620 [0,1,0,1,0,0|2,0,0]=4 21521 B17R2.56639 O=C(CCNC1CCC1)c2ccc(cc2)F 2230a_100000749019_100000211231 [0,1,0,1,0,0|2,0,0]=4 21522 B17R2.56639 O=C(CCNC1CCC1)c2ccc(cc2)O 2230a_100000749019_100009879949 [0,1,0,1,0,0|2,0,0]=4 21523 B17R2.56639 O=C(CCSC1CCC1)c2ccc(cc2)Br 62a_100011215963_100000749161 [0,1,0,1,0,0|2,0,0]=4 21524 B17R2.56639 O=C(CCSC1CCC1)c2ccc(cc2)Cl 62a_100011216492_100000749161 [0,1,0,1,0,0|2,0,0]=4 21525 B17R2.56639 O=C(CCSC1CCC1)c2ccc(cc2)F 62a_100000211231_100000749161 [0,1,0,1,0,0|2,0,0]=4 21526 B17R2.56639 O=C(CNCC1CCC1)c2ccc(cc2)Br 34a_100000738700_100000188085 [0,1,0,1,0,0|2,0,0]=4 21527 B17R2.56639 O=C(CNCC1CCC1)c2ccc(cc2)I 34a_100000738700_100011216261 [0,1,0,1,0,0|2,0,0]=4 21528 B17R2.56639 O=C(CNCC1CCC1)c2ccc(cc2)O 34a_100000738700_100009814261 [0,1,0,1,0,0|2,0,0]=4 21529 B17R2.56639 O=C(COCC1CCC1)c2ccc(cc2)Br 34a_100000760304_100000188085 [0,1,0,1,0,0|2,0,0]=4 21530 B17R2.56639 O=C(COCC1CCC1)c2ccc(cc2)F 34a_100000246311_100000763275 [0,1,0,1,0,0|2,0,0]=4 21531 B17R2.56639 O=C(COCC1CCC1)c2ccc(cc2)I 34a_100000760304_100011216261 [0,1,0,1,0,0|2,0,0]=4 21532 B17R2.56639 O=C(COCC1CCC1)c2ccc(cc2)O 34a_100000760304_100009814261 [0,1,0,1,0,0|2,0,0]=4 21533 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)Br 62a_100000188085_100000763275 [0,1,0,1,0,0|2,0,0]=4 21534 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)Cl 62a_100000211071_100000763275 [0,1,0,1,0,0|2,0,0]=4 21535 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)Cl 62a_100000763275_100000211071 [0,1,0,1,0,0|2,0,0]=4 21536 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)F 62a_100000211279_100000763275 [0,1,0,1,0,0|2,0,0]=4 21537 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)F 62a_100000763275_100000211279 [0,1,0,1,0,0|2,0,0]=4 21538 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)I 62a_100000763275_100011216261 [0,1,0,1,0,0|2,0,0]=4 21539 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)I 62a_100011216261_100000763275 [0,1,0,1,0,0|2,0,0]=4 21540 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)O 62a_100000763275_100009814261 [0,1,0,1,0,0|2,0,0]=4 21541 B17R2.56639 O=C(CSCC1CCC1)c2ccc(cc2)O 62a_100009814261_100000763275 [0,1,0,1,0,0|2,0,0]=4 21542 B17R2.56639 O=C(NCCN1CCC1)c2ccc(cc2)Br 240690a_100000691440_100000185839 [0,1,0,1,0,0|2,0,0]=4 21543 B17R2.56639 O=C(NCCN1CCC1)c2ccc(cc2)Cl 240690a_100000691440_100000210187 [0,1,0,1,0,0|2,0,0]=4 21544 B17R2.56639 O=C(NCCN1CCC1)c2ccc(cc2)F 240690a_100000691440_100000187176 [0,1,0,1,0,0|2,0,0]=4 21545 B17R2.56639 O=C(NCCN1CCC1)c2ccc(cc2)I 240690a_100000691440_100000187904 [0,1,0,1,0,0|2,0,0]=4 21546 B17R2.56639 O=C(NCCN1CCC1)c2ccc(cc2)O 240690a_100000691440_100000212099 [0,1,0,1,0,0|2,0,0]=4 21547 B17R2.56639 O=C(NNCC1CCC1)c2ccc(cc2)Br 22a_200020586977_100000185839 [0,1,0,1,0,0|2,0,0]=4 21548 B17R2.56639 O=C(NNCC1CCC1)c2ccc(cc2)Cl 22a_200020586977_100000210187 [0,1,0,1,0,0|2,0,0]=4 21549 B17R2.56639 O=C(NNCC1CCC1)c2ccc(cc2)F 22a_200020586977_100000187176 [0,1,0,1,0,0|2,0,0]=4 21550 B17R2.56639 O=C(NNCC1CCC1)c2ccc(cc2)I 22a_200020586977_100000187904 [0,1,0,1,0,0|2,0,0]=4 21551 B17R2.56639 O=C(NNCC1CCC1)c2ccc(cc2)O 22a_200020586977_100000212099 [0,1,0,1,0,0|2,0,0]=4 21552 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Br 11a_100000754278_100000210664 [0,1,0,1,0,0|1,0,0]=3 21553 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Br 1626a_100000754278_100000210664 [0,1,0,1,0,0|1,0,0]=3 21554 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Br 240690a_100000754278_100000210664 [0,1,0,1,0,0|1,0,0]=3 21555 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Br 527a_100000754278_100000210664 [0,1,0,1,0,0|1,0,0]=3 21556 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)C 11a_100000754278_100000189346 [0,1,0,1,0,0|1,0,0]=3 21557 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)C 1626a_100000754278_100000189346 [0,1,0,1,0,0|1,0,0]=3 21558 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)C 240690a_100000754278_100000189346 [0,1,0,1,0,0|1,0,0]=3 21559 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)C 527a_100000754278_100000189346 [0,1,0,1,0,0|1,0,0]=3 21560 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Cl 11a_100000754278_100000210390 [0,1,0,1,0,0|1,0,0]=3 21561 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Cl 1626a_100000754278_100000210390 [0,1,0,1,0,0|1,0,0]=3 21562 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Cl 240690a_100000754278_100000210390 [0,1,0,1,0,0|1,0,0]=3 21563 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)Cl 527a_100000754278_100000210390 [0,1,0,1,0,0|1,0,0]=3 21564 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)F 11a_100000754278_100000210950 [0,1,0,1,0,0|1,0,0]=3 21565 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)F 1626a_100000754278_100000210950 [0,1,0,1,0,0|1,0,0]=3 21566 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)F 240690a_100000754278_100000210950 [0,1,0,1,0,0|1,0,0]=3 21567 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)F 527a_100000754278_100000210950 [0,1,0,1,0,0|1,0,0]=3 21568 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)I 11a_100000754278_100000184098 [0,1,0,1,0,0|1,0,0]=3 21569 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)I 1626a_100000754278_100000184098 [0,1,0,1,0,0|1,0,0]=3 21570 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)I 240690a_100000754278_100000184098 [0,1,0,1,0,0|1,0,0]=3 21571 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)I 527a_100000754278_100000184098 [0,1,0,1,0,0|1,0,0]=3 21572 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)O 240690a_100000754278_100000183914 [0,1,0,1,0,0|1,0,0]=3 21573 B17R2.2824 CCC1CCCN1C(=O)c2cccc(c2)O 527a_100000754278_100000183914 [0,1,0,1,0,0|1,0,0]=3 21574 B17R2.2824 Cc1cccc(c1)C(=O)N2CCC[C@@H]2CO 240690a_100000745186_100000189346 [0,1,0,1,0,0|2,0,0]=4 21575 B17R2.2824 Cc1cccc(c1)C(=O)N2CCC[C@@H]2CO 527a_100000745186_100000189346 [0,1,0,1,0,0|2,0,0]=4 21576 B17R2.2824 O=C(c1cccc(c1)Br)N2CCC[C@@H]2CO 240690a_100000745186_100000210664 [0,1,0,1,0,0|2,0,0]=4 21577 B17R2.2824 O=C(c1cccc(c1)Br)N2CCC[C@@H]2CO 527a_100000745186_100000210664 [0,1,0,1,0,0|2,0,0]=4 21578 B17R2.2824 O=C(c1cccc(c1)Cl)N2CCC[C@@H]2CO 240690a_100000745186_100000210390 [0,1,0,1,0,0|2,0,0]=4 21579 B17R2.2824 O=C(c1cccc(c1)Cl)N2CCC[C@@H]2CO 527a_100000745186_100000210390 [0,1,0,1,0,0|2,0,0]=4 21580 B17R2.2824 O=C(c1cccc(c1)F)N2CCC[C@@H]2CO 240690a_100000745186_100000210950 [0,1,0,1,0,0|2,0,0]=4 21581 B17R2.2824 O=C(c1cccc(c1)F)N2CCC[C@@H]2CO 527a_100000745186_100000210950 [0,1,0,1,0,0|2,0,0]=4 21582 B17R2.2824 O=C(c1cccc(c1)I)N2CCC[C@@H]2CO 240690a_100000745186_100000184098 [0,1,0,1,0,0|2,0,0]=4 21583 B17R2.2824 O=C(c1cccc(c1)I)N2CCC[C@@H]2CO 527a_100000745186_100000184098 [0,1,0,1,0,0|2,0,0]=4 21584 B17R2.2824 O=C(c1cccc(c1)O)N2CCC[C@@H]2CO 240690a_100000745186_100000183914 [0,1,0,1,0,0|2,0,0]=4 21585 B17R2.2824 O=C(c1cccc(c1)O)N2CCC[C@@H]2CO 527a_100000745186_100000183914 [0,1,0,1,0,0|2,0,0]=4 21586 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)Br 34a_100000246457_100000740388 [0,1,0,1,0,0|1,0,1]=4 21587 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)Br 7a_100000246457_100000740388 [0,1,0,1,0,0|1,0,1]=4 21588 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)F 34a_100000744526_100000740388 [0,1,0,1,0,0|1,0,1]=4 21589 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)F 7a_100000744526_100000740388 [0,1,0,1,0,0|1,0,1]=4 21590 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)I 34a_100013085317_100000740388 [0,1,0,1,0,0|1,0,1]=4 21591 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)I 7a_100013085317_100000740388 [0,1,0,1,0,0|1,0,1]=4 21592 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)N 34a_100011217120_100000740388 [0,1,0,1,0,0|1,0,1]=4 21593 B17R2.3378 CC(OCC1CCCC1)c2cccc(c2)N 7a_100011217120_100000740388 [0,1,0,1,0,0|1,0,1]=4 21594 B17R2.3378 C[C@@H](OCC1CCCC1)c2cccc(c2)Cl 34a_100000747380_100000740388 [0,1,0,1,0,0|1,0,1]=4 21595 B17R2.3378 C[C@@H](OCC1CCCC1)c2cccc(c2)Cl 7a_100000747380_100000740388 [0,1,0,1,0,0|1,0,1]=4 21596 B17R2.3378 Cc1cccc(c1)C(=O)CCC2CCCC2 1458a_100000189346_100000760354 [0,1,0,1,0,0|1,0,0]=3 21597 B17R2.3378 Cc1cccc(c1)C(=O)CCN2CCCC2 1458a_100000189346_100000004467 [0,1,0,1,0,0|2,0,0]=4 21598 B17R2.3378 Cc1cccc(c1)C(=O)CNC2CCCC2 2230a_100000211070_100000739480 [0,1,0,1,0,0|2,0,0]=4 21599 B17R2.3378 Cc1cccc(c1)C(=O)CNC2CCCC2 34a_100000211070_100000739480 [0,1,0,1,0,0|2,0,0]=4 21600 B17R2.3378 Cc1cccc(c1)C(=O)COC2CCCC2 34a_100000210269_100000739480 [0,1,0,1,0,0|2,0,0]=4 21601 B17R2.3378 Cc1cccc(c1)C(=O)COC2CCCC2 7a_100000210269_100000739480 [0,1,0,1,0,0|2,0,0]=4 21602 B17R2.3378 Cc1cccc(c1)C(=O)CSC2CCCC2 62a_100000739480_100000179811 [0,1,0,1,0,0|2,0,0]=4 21603 B17R2.3378 Cc1cccc(c1)C(=O)CSC2CCCC2 62a_100011217020_100000739480 [0,1,0,1,0,0|2,0,0]=4 21604 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCCC2 11a_100000737975_100000189346 [0,1,0,1,0,0|1,0,0]=3 21605 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCCC2 1626a_100000737975_100000189346 [0,1,0,1,0,0|1,0,0]=3 21606 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCCC2 240690a_100000737975_100000189346 [0,1,0,1,0,0|1,0,0]=3 21607 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCCC2 527a_100000737975_100000189346 [0,1,0,1,0,0|1,0,0]=3 21608 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCOC2 11a_100000737293_100000189346 [0,1,0,1,0,0|2,0,0]=4 21609 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCOC2 1626a_100000737293_100000189346 [0,1,0,1,0,0|2,0,0]=4 21610 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCOC2 240690a_100000737293_100000189346 [0,1,0,1,0,0|2,0,0]=4 21611 B17R2.3378 Cc1cccc(c1)C(=O)NCC2CCOC2 527a_100000737293_100000189346 [0,1,0,1,0,0|2,0,0]=4 21612 B17R2.3378 Cc1cccc(c1)C(=O)NC[C@@H]2CCCO2 11a_100020590478_100000189346 [0,1,0,1,0,0|2,0,0]=4 21613 B17R2.3378 Cc1cccc(c1)C(=O)NC[C@@H]2CCCO2 1626a_100020590478_100000189346 [0,1,0,1,0,0|2,0,0]=4 21614 B17R2.3378 Cc1cccc(c1)C(=O)NC[C@@H]2CCCO2 240690a_100020590478_100000189346 [0,1,0,1,0,0|2,0,0]=4 21615 B17R2.3378 Cc1cccc(c1)C(=O)NC[C@@H]2CCCO2 527a_100020590478_100000189346 [0,1,0,1,0,0|2,0,0]=4 21616 B17R2.3378 Cc1cccc(c1)C(=O)NNC2CCCC2 22a_100000737850_100000189346 [0,1,0,1,0,0|2,0,0]=4 21617 B17R2.3378 Cc1cccc(c1)C(C)OCC2CCCC2 34a_100000757818_100000740388 [0,1,0,1,0,0|1,0,1]=4 21618 B17R2.3378 Cc1cccc(c1)C(C)OCC2CCCC2 7a_100000757818_100000740388 [0,1,0,1,0,0|1,0,1]=4 21619 B17R2.3378 O=C(CCC1CCCC1)c2cccc(c2)Br 1458a_100000210664_100000760354 [0,1,0,1,0,0|1,0,0]=3 21620 B17R2.3378 O=C(CCC1CCCC1)c2cccc(c2)Cl 1458a_100000210390_100000760354 [0,1,0,1,0,0|1,0,0]=3 21621 B17R2.3378 O=C(CCC1CCCC1)c2cccc(c2)F 1458a_100000210950_100000760354 [0,1,0,1,0,0|1,0,0]=3 21622 B17R2.3378 O=C(CCC1CCCC1)c2cccc(c2)I 1458a_100000184098_100000760354 [0,1,0,1,0,0|1,0,0]=3 21623 B17R2.3378 O=C(CCC1CCCC1)c2cccc(c2)O 1458a_100000183914_100000760354 [0,1,0,1,0,0|1,0,0]=3 21624 B17R2.3378 O=C(CCN1CCCC1)c2cccc(c2)Br 1458a_100000210664_100000004467 [0,1,0,1,0,0|2,0,0]=4 21625 B17R2.3378 O=C(CCN1CCCC1)c2cccc(c2)Cl 1458a_100000210390_100000004467 [0,1,0,1,0,0|2,0,0]=4 21626 B17R2.3378 O=C(CCN1CCCC1)c2cccc(c2)F 1458a_100000210950_100000004467 [0,1,0,1,0,0|2,0,0]=4 21627 B17R2.3378 O=C(CCN1CCCC1)c2cccc(c2)I 1458a_100000184098_100000004467 [0,1,0,1,0,0|2,0,0]=4 21628 B17R2.3378 O=C(CCN1CCCC1)c2cccc(c2)O 1458a_100000183914_100000004467 [0,1,0,1,0,0|2,0,0]=4 21629 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)Br 2230a_100000211070_100000212080 [0,1,0,1,0,0|2,0,0]=4 21630 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)Br 34a_100000211070_100000212080 [0,1,0,1,0,0|2,0,0]=4 21631 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)Cl 2230a_100000211070_100000211444 [0,1,0,1,0,0|2,0,0]=4 21632 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)Cl 34a_100000211070_100000211444 [0,1,0,1,0,0|2,0,0]=4 21633 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)F 2230a_100000211070_100000215616 [0,1,0,1,0,0|2,0,0]=4 21634 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)F 34a_100000211070_100000215616 [0,1,0,1,0,0|2,0,0]=4 21635 B17R2.3378 O=C(CNC1CCCC1)c2cccc(c2)O 34a_100000211070_100009813753 [0,1,0,1,0,0|2,0,0]=4 21636 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)Br 34a_100000210269_100000212080 [0,1,0,1,0,0|2,0,0]=4 21637 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)Br 7a_100000210269_100000212080 [0,1,0,1,0,0|2,0,0]=4 21638 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)Cl 34a_100000210269_100000211444 [0,1,0,1,0,0|2,0,0]=4 21639 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)Cl 7a_100000210269_100000211444 [0,1,0,1,0,0|2,0,0]=4 21640 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)Cl 7a_200011592804_100000179811 [0,1,0,1,0,0|2,0,0]=4 21641 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)F 34a_100000210269_100000215616 [0,1,0,1,0,0|2,0,0]=4 21642 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)F 34a_100011592800_100000179811 [0,1,0,1,0,0|2,0,0]=4 21643 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)F 7a_100011592800_100000179811 [0,1,0,1,0,0|2,0,0]=4 21644 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)O 34a_100000210269_100009813753 [0,1,0,1,0,0|2,0,0]=4 21645 B17R2.3378 O=C(COC1CCCC1)c2cccc(c2)O 7a_100000210269_100009813753 [0,1,0,1,0,0|2,0,0]=4 21646 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)Br 62a_100000212080_100000179811 [0,1,0,1,0,0|2,0,0]=4 21647 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)Br 62a_100011217020_100000212080 [0,1,0,1,0,0|2,0,0]=4 21648 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)Cl 62a_100000211444_100000179811 [0,1,0,1,0,0|2,0,0]=4 21649 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)Cl 62a_100011217020_100000211444 [0,1,0,1,0,0|2,0,0]=4 21650 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)F 62a_100000215616_100000179811 [0,1,0,1,0,0|2,0,0]=4 21651 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)F 62a_100011217020_100000215616 [0,1,0,1,0,0|2,0,0]=4 21652 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)O 62a_100009813753_100000179811 [0,1,0,1,0,0|2,0,0]=4 21653 B17R2.3378 O=C(CSC1CCCC1)c2cccc(c2)O 62a_100011217020_100009813753 [0,1,0,1,0,0|2,0,0]=4 21654 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Br 11a_100000737975_100000210664 [0,1,0,1,0,0|1,0,0]=3 21655 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Br 1626a_100000737975_100000210664 [0,1,0,1,0,0|1,0,0]=3 21656 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Br 240690a_100000737975_100000210664 [0,1,0,1,0,0|1,0,0]=3 21657 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Br 527a_100000737975_100000210664 [0,1,0,1,0,0|1,0,0]=3 21658 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Cl 11a_100000737975_100000210390 [0,1,0,1,0,0|1,0,0]=3 21659 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Cl 1626a_100000737975_100000210390 [0,1,0,1,0,0|1,0,0]=3 21660 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Cl 240690a_100000737975_100000210390 [0,1,0,1,0,0|1,0,0]=3 21661 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)Cl 527a_100000737975_100000210390 [0,1,0,1,0,0|1,0,0]=3 21662 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)F 11a_100000737975_100000210950 [0,1,0,1,0,0|1,0,0]=3 21663 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)F 1626a_100000737975_100000210950 [0,1,0,1,0,0|1,0,0]=3 21664 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)F 240690a_100000737975_100000210950 [0,1,0,1,0,0|1,0,0]=3 21665 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)F 527a_100000737975_100000210950 [0,1,0,1,0,0|1,0,0]=3 21666 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)I 11a_100000737975_100000184098 [0,1,0,1,0,0|1,0,0]=3 21667 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)I 1626a_100000737975_100000184098 [0,1,0,1,0,0|1,0,0]=3 21668 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)I 240690a_100000737975_100000184098 [0,1,0,1,0,0|1,0,0]=3 21669 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)I 527a_100000737975_100000184098 [0,1,0,1,0,0|1,0,0]=3 21670 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)O 240690a_100000737975_100000183914 [0,1,0,1,0,0|1,0,0]=3 21671 B17R2.3378 O=C(NCC1CCCC1)c2cccc(c2)O 527a_100000737975_100000183914 [0,1,0,1,0,0|1,0,0]=3 21672 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Br 11a_100000737293_100000210664 [0,1,0,1,0,0|2,0,0]=4 21673 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Br 1626a_100000737293_100000210664 [0,1,0,1,0,0|2,0,0]=4 21674 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Br 240690a_100000737293_100000210664 [0,1,0,1,0,0|2,0,0]=4 21675 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Br 527a_100000737293_100000210664 [0,1,0,1,0,0|2,0,0]=4 21676 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Cl 11a_100000737293_100000210390 [0,1,0,1,0,0|2,0,0]=4 21677 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Cl 1626a_100000737293_100000210390 [0,1,0,1,0,0|2,0,0]=4 21678 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Cl 240690a_100000737293_100000210390 [0,1,0,1,0,0|2,0,0]=4 21679 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)Cl 527a_100000737293_100000210390 [0,1,0,1,0,0|2,0,0]=4 21680 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)F 11a_100000737293_100000210950 [0,1,0,1,0,0|2,0,0]=4 21681 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)F 1626a_100000737293_100000210950 [0,1,0,1,0,0|2,0,0]=4 21682 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)F 240690a_100000737293_100000210950 [0,1,0,1,0,0|2,0,0]=4 21683 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)F 527a_100000737293_100000210950 [0,1,0,1,0,0|2,0,0]=4 21684 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)I 11a_100000737293_100000184098 [0,1,0,1,0,0|2,0,0]=4 21685 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)I 1626a_100000737293_100000184098 [0,1,0,1,0,0|2,0,0]=4 21686 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)I 240690a_100000737293_100000184098 [0,1,0,1,0,0|2,0,0]=4 21687 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)I 527a_100000737293_100000184098 [0,1,0,1,0,0|2,0,0]=4 21688 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)O 240690a_100000737293_100000183914 [0,1,0,1,0,0|2,0,0]=4 21689 B17R2.3378 O=C(NCC1CCOC1)c2cccc(c2)O 527a_100000737293_100000183914 [0,1,0,1,0,0|2,0,0]=4 21690 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Br 11a_100020590478_100000210664 [0,1,0,1,0,0|2,0,0]=4 21691 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Br 1626a_100020590478_100000210664 [0,1,0,1,0,0|2,0,0]=4 21692 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Br 240690a_100020590478_100000210664 [0,1,0,1,0,0|2,0,0]=4 21693 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Br 527a_100020590478_100000210664 [0,1,0,1,0,0|2,0,0]=4 21694 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Cl 11a_100020590478_100000210390 [0,1,0,1,0,0|2,0,0]=4 21695 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Cl 1626a_100020590478_100000210390 [0,1,0,1,0,0|2,0,0]=4 21696 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Cl 240690a_100020590478_100000210390 [0,1,0,1,0,0|2,0,0]=4 21697 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)Cl 527a_100020590478_100000210390 [0,1,0,1,0,0|2,0,0]=4 21698 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)F 11a_100020590478_100000210950 [0,1,0,1,0,0|2,0,0]=4 21699 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)F 1626a_100020590478_100000210950 [0,1,0,1,0,0|2,0,0]=4 21700 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)F 240690a_100020590478_100000210950 [0,1,0,1,0,0|2,0,0]=4 21701 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)F 527a_100020590478_100000210950 [0,1,0,1,0,0|2,0,0]=4 21702 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)I 11a_100020590478_100000184098 [0,1,0,1,0,0|2,0,0]=4 21703 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)I 1626a_100020590478_100000184098 [0,1,0,1,0,0|2,0,0]=4 21704 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)I 240690a_100020590478_100000184098 [0,1,0,1,0,0|2,0,0]=4 21705 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)I 527a_100020590478_100000184098 [0,1,0,1,0,0|2,0,0]=4 21706 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)O 240690a_100020590478_100000183914 [0,1,0,1,0,0|2,0,0]=4 21707 B17R2.3378 O=C(NC[C@@H]1CCCO1)c2cccc(c2)O 527a_100020590478_100000183914 [0,1,0,1,0,0|2,0,0]=4 21708 B17R2.3378 O=C(NNC1CCCC1)c2cccc(c2)Br 22a_100000737850_100000210664 [0,1,0,1,0,0|2,0,0]=4 21709 B17R2.3378 O=C(NNC1CCCC1)c2cccc(c2)Cl 22a_100000737850_100000210390 [0,1,0,1,0,0|2,0,0]=4 21710 B17R2.3378 O=C(NNC1CCCC1)c2cccc(c2)F 22a_100000737850_100000210950 [0,1,0,1,0,0|2,0,0]=4 21711 B17R2.3378 O=C(NNC1CCCC1)c2cccc(c2)I 22a_100000737850_100000184098 [0,1,0,1,0,0|2,0,0]=4 21712 B17R2.3378 O=C(NNC1CCCC1)c2cccc(c2)O 22a_100000737850_100000183914 [0,1,0,1,0,0|2,0,0]=4 21713 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Br 11a_100015195929_100000210664 [0,1,0,1,0,0|2,0,0]=4 21714 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Br 1626a_100015195929_100000210664 [0,1,0,1,0,0|2,0,0]=4 21715 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Br 240690a_100015195929_100000210664 [0,1,0,1,0,0|2,0,0]=4 21716 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Br 527a_100015195929_100000210664 [0,1,0,1,0,0|2,0,0]=4 21717 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)C 11a_100015195929_100000189346 [0,1,0,1,0,0|2,0,0]=4 21718 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)C 1626a_100015195929_100000189346 [0,1,0,1,0,0|2,0,0]=4 21719 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)C 240690a_100015195929_100000189346 [0,1,0,1,0,0|2,0,0]=4 21720 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)C 527a_100015195929_100000189346 [0,1,0,1,0,0|2,0,0]=4 21721 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Cl 11a_100015195929_100000210390 [0,1,0,1,0,0|2,0,0]=4 21722 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Cl 1626a_100015195929_100000210390 [0,1,0,1,0,0|2,0,0]=4 21723 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Cl 240690a_100015195929_100000210390 [0,1,0,1,0,0|2,0,0]=4 21724 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)Cl 527a_100015195929_100000210390 [0,1,0,1,0,0|2,0,0]=4 21725 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)F 11a_100015195929_100000210950 [0,1,0,1,0,0|2,0,0]=4 21726 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)F 1626a_100015195929_100000210950 [0,1,0,1,0,0|2,0,0]=4 21727 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)F 240690a_100015195929_100000210950 [0,1,0,1,0,0|2,0,0]=4 21728 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)F 527a_100015195929_100000210950 [0,1,0,1,0,0|2,0,0]=4 21729 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)I 11a_100015195929_100000184098 [0,1,0,1,0,0|2,0,0]=4 21730 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)I 1626a_100015195929_100000184098 [0,1,0,1,0,0|2,0,0]=4 21731 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)I 240690a_100015195929_100000184098 [0,1,0,1,0,0|2,0,0]=4 21732 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)I 527a_100015195929_100000184098 [0,1,0,1,0,0|2,0,0]=4 21733 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)O 240690a_100015195929_100000183914 [0,1,0,1,0,0|2,0,0]=4 21734 B17R2.4161 COCC1CCN1C(=O)c2cccc(c2)O 527a_100015195929_100000183914 [0,1,0,1,0,0|2,0,0]=4 21735 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)Br 34a_100000246457_100000210327 [0,1,0,1,0,0|1,0,1]=4 21736 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)Br 7a_100000246457_100000210327 [0,1,0,1,0,0|1,0,1]=4 21737 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)F 34a_100000744526_100000210327 [0,1,0,1,0,0|1,0,1]=4 21738 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)F 7a_100000744526_100000210327 [0,1,0,1,0,0|1,0,1]=4 21739 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)I 34a_100013085317_100000210327 [0,1,0,1,0,0|1,0,1]=4 21740 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)I 7a_100013085317_100000210327 [0,1,0,1,0,0|1,0,1]=4 21741 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)N 34a_100011217120_100000210327 [0,1,0,1,0,0|1,0,1]=4 21742 B17R2.5273 CC(OC1CCCCC1)c2cccc(c2)N 7a_100011217120_100000210327 [0,1,0,1,0,0|1,0,1]=4 21743 B17R2.5273 C[C@@H](OC1CCCCC1)c2cccc(c2)Cl 34a_100000747380_100000210327 [0,1,0,1,0,0|1,0,1]=4 21744 B17R2.5273 C[C@@H](OC1CCCCC1)c2cccc(c2)Cl 7a_100000747380_100000210327 [0,1,0,1,0,0|1,0,1]=4 21745 B17R2.5273 Cc1cccc(c1)C(=O)CC2CCCCC2 1458a_100000189346_100000211423 [0,1,0,1,0,0|1,0,0]=3 21746 B17R2.5273 Cc1cccc(c1)C(=O)CC2CCCCO2 1458a_100000189346_100000211543 [0,1,0,1,0,0|2,0,0]=4 21747 B17R2.5273 Cc1cccc(c1)C(=O)CC2CCCOC2 1458a_100000189346_100000741521 [0,1,0,1,0,0|2,0,0]=4 21748 B17R2.5273 Cc1cccc(c1)C(=O)CC2CCOCC2 1458a_100000189346_100000754603 [0,1,0,1,0,0|2,0,0]=4 21749 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCCC2 11a_100000182618_100000189346 [0,1,0,1,0,0|1,0,0]=3 21750 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCCC2 1626a_100000182618_100000189346 [0,1,0,1,0,0|1,0,0]=3 21751 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCCC2 240690a_100000182618_100000189346 [0,1,0,1,0,0|1,0,0]=3 21752 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCCC2 527a_100000182618_100000189346 [0,1,0,1,0,0|1,0,0]=3 21753 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCOC2 11a_100000719290_100000189346 [0,1,0,1,0,0|2,0,0]=4 21754 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCOC2 1626a_100000719290_100000189346 [0,1,0,1,0,0|2,0,0]=4 21755 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCOC2 240690a_100000719290_100000189346 [0,1,0,1,0,0|2,0,0]=4 21756 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCCOC2 527a_100000719290_100000189346 [0,1,0,1,0,0|2,0,0]=4 21757 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCOCC2 11a_100000741149_100000189346 [0,1,0,1,0,0|2,0,0]=4 21758 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCOCC2 1626a_100000741149_100000189346 [0,1,0,1,0,0|2,0,0]=4 21759 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCOCC2 240690a_100000741149_100000189346 [0,1,0,1,0,0|2,0,0]=4 21760 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCOCC2 527a_100000741149_100000189346 [0,1,0,1,0,0|2,0,0]=4 21761 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCSCC2 11a_100000748639_100000189346 [0,1,0,1,0,0|2,0,0]=4 21762 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCSCC2 1626a_100000748639_100000189346 [0,1,0,1,0,0|2,0,0]=4 21763 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCSCC2 240690a_100000748639_100000189346 [0,1,0,1,0,0|2,0,0]=4 21764 B17R2.5273 Cc1cccc(c1)C(=O)NC2CCSCC2 527a_100000748639_100000189346 [0,1,0,1,0,0|2,0,0]=4 21765 B17R2.5273 Cc1cccc(c1)C(C)OC2CCCCC2 34a_100000757818_100000210327 [0,1,0,1,0,0|1,0,1]=4 21766 B17R2.5273 Cc1cccc(c1)C(C)OC2CCCCC2 7a_100000757818_100000210327 [0,1,0,1,0,0|1,0,1]=4 21767 B17R2.5273 O=C(CC1CCCCC1)c2cccc(c2)Br 1458a_100000210664_100000211423 [0,1,0,1,0,0|1,0,0]=3 21768 B17R2.5273 O=C(CC1CCCCC1)c2cccc(c2)Cl 1458a_100000210390_100000211423 [0,1,0,1,0,0|1,0,0]=3 21769 B17R2.5273 O=C(CC1CCCCC1)c2cccc(c2)F 1458a_100000210950_100000211423 [0,1,0,1,0,0|1,0,0]=3 21770 B17R2.5273 O=C(CC1CCCCC1)c2cccc(c2)I 1458a_100000184098_100000211423 [0,1,0,1,0,0|1,0,0]=3 21771 B17R2.5273 O=C(CC1CCCCC1)c2cccc(c2)O 1458a_100000183914_100000211423 [0,1,0,1,0,0|1,0,0]=3 21772 B17R2.5273 O=C(CC1CCCCO1)c2cccc(c2)Br 1458a_100000210664_100000211543 [0,1,0,1,0,0|2,0,0]=4 21773 B17R2.5273 O=C(CC1CCCCO1)c2cccc(c2)Cl 1458a_100000210390_100000211543 [0,1,0,1,0,0|2,0,0]=4 21774 B17R2.5273 O=C(CC1CCCCO1)c2cccc(c2)F 1458a_100000210950_100000211543 [0,1,0,1,0,0|2,0,0]=4 21775 B17R2.5273 O=C(CC1CCCCO1)c2cccc(c2)I 1458a_100000184098_100000211543 [0,1,0,1,0,0|2,0,0]=4 21776 B17R2.5273 O=C(CC1CCCCO1)c2cccc(c2)O 1458a_100000183914_100000211543 [0,1,0,1,0,0|2,0,0]=4 21777 B17R2.5273 O=C(CC1CCCOC1)c2cccc(c2)Br 1458a_100000210664_100000741521 [0,1,0,1,0,0|2,0,0]=4 21778 B17R2.5273 O=C(CC1CCCOC1)c2cccc(c2)Cl 1458a_100000210390_100000741521 [0,1,0,1,0,0|2,0,0]=4 21779 B17R2.5273 O=C(CC1CCCOC1)c2cccc(c2)F 1458a_100000210950_100000741521 [0,1,0,1,0,0|2,0,0]=4 21780 B17R2.5273 O=C(CC1CCCOC1)c2cccc(c2)I 1458a_100000184098_100000741521 [0,1,0,1,0,0|2,0,0]=4 21781 B17R2.5273 O=C(CC1CCCOC1)c2cccc(c2)O 1458a_100000183914_100000741521 [0,1,0,1,0,0|2,0,0]=4 21782 B17R2.5273 O=C(CC1CCOCC1)c2cccc(c2)Br 1458a_100000210664_100000754603 [0,1,0,1,0,0|2,0,0]=4 21783 B17R2.5273 O=C(CC1CCOCC1)c2cccc(c2)Cl 1458a_100000210390_100000754603 [0,1,0,1,0,0|2,0,0]=4 21784 B17R2.5273 O=C(CC1CCOCC1)c2cccc(c2)F 1458a_100000210950_100000754603 [0,1,0,1,0,0|2,0,0]=4 21785 B17R2.5273 O=C(CC1CCOCC1)c2cccc(c2)I 1458a_100000184098_100000754603 [0,1,0,1,0,0|2,0,0]=4 21786 B17R2.5273 O=C(CC1CCOCC1)c2cccc(c2)O 1458a_100000183914_100000754603 [0,1,0,1,0,0|2,0,0]=4 21787 B17R2.5273 O=C(NC1CCCCC1)c2cc(ccn2)O 271570a_203496583355_200000194107 [0,1,0,1,0,0|2,0,0]=4 21788 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Br 11a_100000182618_100000210664 [0,1,0,1,0,0|1,0,0]=3 21789 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Br 1626a_100000182618_100000210664 [0,1,0,1,0,0|1,0,0]=3 21790 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Br 240690a_100000182618_100000210664 [0,1,0,1,0,0|1,0,0]=3 21791 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Br 527a_100000182618_100000210664 [0,1,0,1,0,0|1,0,0]=3 21792 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Cl 11a_100000182618_100000210390 [0,1,0,1,0,0|1,0,0]=3 21793 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Cl 1626a_100000182618_100000210390 [0,1,0,1,0,0|1,0,0]=3 21794 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Cl 240690a_100000182618_100000210390 [0,1,0,1,0,0|1,0,0]=3 21795 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)Cl 527a_100000182618_100000210390 [0,1,0,1,0,0|1,0,0]=3 21796 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)F 11a_100000182618_100000210950 [0,1,0,1,0,0|1,0,0]=3 21797 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)F 1626a_100000182618_100000210950 [0,1,0,1,0,0|1,0,0]=3 21798 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)F 240690a_100000182618_100000210950 [0,1,0,1,0,0|1,0,0]=3 21799 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)F 527a_100000182618_100000210950 [0,1,0,1,0,0|1,0,0]=3 21800 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)I 11a_100000182618_100000184098 [0,1,0,1,0,0|1,0,0]=3 21801 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)I 1626a_100000182618_100000184098 [0,1,0,1,0,0|1,0,0]=3 21802 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)I 240690a_100000182618_100000184098 [0,1,0,1,0,0|1,0,0]=3 21803 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)I 527a_100000182618_100000184098 [0,1,0,1,0,0|1,0,0]=3 21804 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)O 240690a_100000182618_100000183914 [0,1,0,1,0,0|1,0,0]=3 21805 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)O 271570a_203496583355_200000153392 [0,1,0,1,0,0|1,0,0]=3 21806 B17R2.5273 O=C(NC1CCCCC1)c2cccc(c2)O 527a_100000182618_100000183914 [0,1,0,1,0,0|1,0,0]=3 21807 B17R2.5273 O=C(NC1CCCCC1)c2cncc(c2)O 271570a_203496583355_200000153395 [0,1,0,1,0,0|2,0,0]=4 21808 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Br 11a_100000719290_100000210664 [0,1,0,1,0,0|2,0,0]=4 21809 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Br 1626a_100000719290_100000210664 [0,1,0,1,0,0|2,0,0]=4 21810 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Br 240690a_100000719290_100000210664 [0,1,0,1,0,0|2,0,0]=4 21811 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Br 527a_100000719290_100000210664 [0,1,0,1,0,0|2,0,0]=4 21812 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Cl 11a_100000719290_100000210390 [0,1,0,1,0,0|2,0,0]=4 21813 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Cl 1626a_100000719290_100000210390 [0,1,0,1,0,0|2,0,0]=4 21814 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Cl 240690a_100000719290_100000210390 [0,1,0,1,0,0|2,0,0]=4 21815 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)Cl 527a_100000719290_100000210390 [0,1,0,1,0,0|2,0,0]=4 21816 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)F 11a_100000719290_100000210950 [0,1,0,1,0,0|2,0,0]=4 21817 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)F 1626a_100000719290_100000210950 [0,1,0,1,0,0|2,0,0]=4 21818 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)F 240690a_100000719290_100000210950 [0,1,0,1,0,0|2,0,0]=4 21819 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)F 527a_100000719290_100000210950 [0,1,0,1,0,0|2,0,0]=4 21820 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)I 11a_100000719290_100000184098 [0,1,0,1,0,0|2,0,0]=4 21821 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)I 1626a_100000719290_100000184098 [0,1,0,1,0,0|2,0,0]=4 21822 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)I 240690a_100000719290_100000184098 [0,1,0,1,0,0|2,0,0]=4 21823 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)I 527a_100000719290_100000184098 [0,1,0,1,0,0|2,0,0]=4 21824 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)O 240690a_100000719290_100000183914 [0,1,0,1,0,0|2,0,0]=4 21825 B17R2.5273 O=C(NC1CCCOC1)c2cccc(c2)O 527a_100000719290_100000183914 [0,1,0,1,0,0|2,0,0]=4 21826 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Br 11a_100000741149_100000210664 [0,1,0,1,0,0|2,0,0]=4 21827 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Br 1626a_100000741149_100000210664 [0,1,0,1,0,0|2,0,0]=4 21828 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Br 240690a_100000741149_100000210664 [0,1,0,1,0,0|2,0,0]=4 21829 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Br 527a_100000741149_100000210664 [0,1,0,1,0,0|2,0,0]=4 21830 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Cl 11a_100000741149_100000210390 [0,1,0,1,0,0|2,0,0]=4 21831 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Cl 1626a_100000741149_100000210390 [0,1,0,1,0,0|2,0,0]=4 21832 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Cl 240690a_100000741149_100000210390 [0,1,0,1,0,0|2,0,0]=4 21833 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)Cl 527a_100000741149_100000210390 [0,1,0,1,0,0|2,0,0]=4 21834 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)F 11a_100000741149_100000210950 [0,1,0,1,0,0|2,0,0]=4 21835 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)F 1626a_100000741149_100000210950 [0,1,0,1,0,0|2,0,0]=4 21836 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)F 240690a_100000741149_100000210950 [0,1,0,1,0,0|2,0,0]=4 21837 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)F 527a_100000741149_100000210950 [0,1,0,1,0,0|2,0,0]=4 21838 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)I 11a_100000741149_100000184098 [0,1,0,1,0,0|2,0,0]=4 21839 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)I 1626a_100000741149_100000184098 [0,1,0,1,0,0|2,0,0]=4 21840 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)I 240690a_100000741149_100000184098 [0,1,0,1,0,0|2,0,0]=4 21841 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)I 527a_100000741149_100000184098 [0,1,0,1,0,0|2,0,0]=4 21842 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)O 240690a_100000741149_100000183914 [0,1,0,1,0,0|2,0,0]=4 21843 B17R2.5273 O=C(NC1CCOCC1)c2cccc(c2)O 527a_100000741149_100000183914 [0,1,0,1,0,0|2,0,0]=4 21844 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Br 11a_100000748639_100000210664 [0,1,0,1,0,0|2,0,0]=4 21845 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Br 1626a_100000748639_100000210664 [0,1,0,1,0,0|2,0,0]=4 21846 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Br 240690a_100000748639_100000210664 [0,1,0,1,0,0|2,0,0]=4 21847 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Br 527a_100000748639_100000210664 [0,1,0,1,0,0|2,0,0]=4 21848 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Cl 11a_100000748639_100000210390 [0,1,0,1,0,0|2,0,0]=4 21849 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Cl 1626a_100000748639_100000210390 [0,1,0,1,0,0|2,0,0]=4 21850 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Cl 240690a_100000748639_100000210390 [0,1,0,1,0,0|2,0,0]=4 21851 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)Cl 527a_100000748639_100000210390 [0,1,0,1,0,0|2,0,0]=4 21852 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)F 11a_100000748639_100000210950 [0,1,0,1,0,0|2,0,0]=4 21853 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)F 1626a_100000748639_100000210950 [0,1,0,1,0,0|2,0,0]=4 21854 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)F 240690a_100000748639_100000210950 [0,1,0,1,0,0|2,0,0]=4 21855 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)F 527a_100000748639_100000210950 [0,1,0,1,0,0|2,0,0]=4 21856 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)I 11a_100000748639_100000184098 [0,1,0,1,0,0|2,0,0]=4 21857 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)I 1626a_100000748639_100000184098 [0,1,0,1,0,0|2,0,0]=4 21858 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)I 240690a_100000748639_100000184098 [0,1,0,1,0,0|2,0,0]=4 21859 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)I 527a_100000748639_100000184098 [0,1,0,1,0,0|2,0,0]=4 21860 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)O 240690a_100000748639_100000183914 [0,1,0,1,0,0|2,0,0]=4 21861 B17R2.5273 O=C(NC1CCSCC1)c2cccc(c2)O 527a_100000748639_100000183914 [0,1,0,1,0,0|2,0,0]=4 21862 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Br 11a_100000211376_100000210664 [0,1,0,1,0,0|1,0,0]=3 21863 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Br 1626a_100000211376_100000210664 [0,1,0,1,0,0|1,0,0]=3 21864 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Br 240690a_100000211376_100000210664 [0,1,0,1,0,0|1,0,0]=3 21865 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Br 527a_100000211376_100000210664 [0,1,0,1,0,0|1,0,0]=3 21866 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Cl 11a_100000211376_100000210390 [0,1,0,1,0,0|1,0,0]=3 21867 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Cl 1626a_100000211376_100000210390 [0,1,0,1,0,0|1,0,0]=3 21868 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Cl 240690a_100000211376_100000210390 [0,1,0,1,0,0|1,0,0]=3 21869 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)Cl 527a_100000211376_100000210390 [0,1,0,1,0,0|1,0,0]=3 21870 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)F 11a_100000211376_100000210950 [0,1,0,1,0,0|1,0,0]=3 21871 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)F 1626a_100000211376_100000210950 [0,1,0,1,0,0|1,0,0]=3 21872 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)F 240690a_100000211376_100000210950 [0,1,0,1,0,0|1,0,0]=3 21873 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)F 527a_100000211376_100000210950 [0,1,0,1,0,0|1,0,0]=3 21874 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)I 11a_100000211376_100000184098 [0,1,0,1,0,0|1,0,0]=3 21875 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)I 1626a_100000211376_100000184098 [0,1,0,1,0,0|1,0,0]=3 21876 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)I 240690a_100000211376_100000184098 [0,1,0,1,0,0|1,0,0]=3 21877 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)I 527a_100000211376_100000184098 [0,1,0,1,0,0|1,0,0]=3 21878 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)O 240690a_100000211376_100000183914 [0,1,0,1,0,0|1,0,0]=3 21879 B17R2.41752 CC1CCCCN1C(=O)c2cccc(c2)O 527a_100000211376_100000183914 [0,1,0,1,0,0|1,0,0]=3 21880 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)Br 11a_100009815349_100000210664 [0,1,0,1,0,0|2,0,0]=4 21881 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)Br 240690a_100009815349_100000210664 [0,1,0,1,0,0|2,0,0]=4 21882 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)Br 527a_100009815349_100000210664 [0,1,0,1,0,0|2,0,0]=4 21883 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)Cl 11a_100009815349_100000210390 [0,1,0,1,0,0|2,0,0]=4 21884 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)Cl 240690a_100009815349_100000210390 [0,1,0,1,0,0|2,0,0]=4 21885 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)Cl 527a_100009815349_100000210390 [0,1,0,1,0,0|2,0,0]=4 21886 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)F 11a_100009815349_100000210950 [0,1,0,1,0,0|2,0,0]=4 21887 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)F 240690a_100009815349_100000210950 [0,1,0,1,0,0|2,0,0]=4 21888 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)F 527a_100009815349_100000210950 [0,1,0,1,0,0|2,0,0]=4 21889 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)I 11a_100009815349_100000184098 [0,1,0,1,0,0|2,0,0]=4 21890 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)I 240690a_100009815349_100000184098 [0,1,0,1,0,0|2,0,0]=4 21891 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)I 527a_100009815349_100000184098 [0,1,0,1,0,0|2,0,0]=4 21892 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)O 240690a_100009815349_100000183914 [0,1,0,1,0,0|2,0,0]=4 21893 B17R2.41752 C[C@H]1COCCN1C(=O)c2cccc(c2)O 527a_100009815349_100000183914 [0,1,0,1,0,0|2,0,0]=4 21894 B17R2.41752 Cc1cccc(c1)C(=O)N2CCCCC2C 11a_100000211376_100000189346 [0,1,0,1,0,0|1,0,0]=3 21895 B17R2.41752 Cc1cccc(c1)C(=O)N2CCCCC2C 1626a_100000211376_100000189346 [0,1,0,1,0,0|1,0,0]=3 21896 B17R2.41752 Cc1cccc(c1)C(=O)N2CCCCC2C 240690a_100000211376_100000189346 [0,1,0,1,0,0|1,0,0]=3 21897 B17R2.41752 Cc1cccc(c1)C(=O)N2CCCCC2C 527a_100000211376_100000189346 [0,1,0,1,0,0|1,0,0]=3 21898 B17R2.41752 Cc1cccc(c1)C(=O)N2CCOC[C@@H]2C 11a_100009815349_100000189346 [0,1,0,1,0,0|2,0,0]=4 21899 B17R2.41752 Cc1cccc(c1)C(=O)N2CCOC[C@@H]2C 240690a_100009815349_100000189346 [0,1,0,1,0,0|2,0,0]=4 21900 B17R2.41752 Cc1cccc(c1)C(=O)N2CCOC[C@@H]2C 527a_100009815349_100000189346 [0,1,0,1,0,0|2,0,0]=4 21901 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)Br 34a_100000744939_100000212080 [0,1,0,1,0,0|2,0,0]=4 21902 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)Br 7a_100000744939_100000212080 [0,1,0,1,0,0|2,0,0]=4 21903 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)Cl 34a_100000744939_100000211444 [0,1,0,1,0,0|2,0,0]=4 21904 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)Cl 7a_100000744939_100000211444 [0,1,0,1,0,0|2,0,0]=4 21905 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)F 34a_100000744939_100000215616 [0,1,0,1,0,0|2,0,0]=4 21906 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)O 34a_100000744939_100009813753 [0,1,0,1,0,0|2,0,0]=4 21907 B17R2.41753 CC1CC1COCC(=O)c2cccc(c2)O 7a_100000744939_100009813753 [0,1,0,1,0,0|2,0,0]=4 21908 B17R2.41753 Cc1cccc(c1)C(=O)COCC2CC2C 34a_100000744939_100000739480 [0,1,0,1,0,0|2,0,0]=4 21909 B17R2.41753 Cc1cccc(c1)C(=O)COCC2CC2C 7a_100000744939_100000739480 [0,1,0,1,0,0|2,0,0]=4 21910 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)Br 2230a_100015189458_100000212080 [0,1,0,1,0,0|2,0,0]=4 21911 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)Br 269982a_100015189458_100000212080 [0,1,0,1,0,0|2,0,0]=4 21912 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)Br 34a_100015189458_100000212080 [0,1,0,1,0,0|2,0,0]=4 21913 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)Cl 2230a_100015189458_100000211444 [0,1,0,1,0,0|2,0,0]=4 21914 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)Cl 269982a_100015189458_100000211444 [0,1,0,1,0,0|2,0,0]=4 21915 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)Cl 34a_100015189458_100000211444 [0,1,0,1,0,0|2,0,0]=4 21916 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)F 2230a_100015189458_100000215616 [0,1,0,1,0,0|2,0,0]=4 21917 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)F 269982a_100015189458_100000215616 [0,1,0,1,0,0|2,0,0]=4 21918 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)F 34a_100015189458_100000215616 [0,1,0,1,0,0|2,0,0]=4 21919 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)O 269982a_100015189458_100009813753 [0,1,0,1,0,0|2,0,0]=4 21920 B17R2.41755 C[C@@H]1CCCN1CC(=O)c2cccc(c2)O 34a_100015189458_100009813753 [0,1,0,1,0,0|2,0,0]=4 21921 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)Br 2230a_100020605311_100000212080 [0,1,0,1,0,0|2,0,0]=4 21922 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)Br 269982a_100020605311_100000212080 [0,1,0,1,0,0|2,0,0]=4 21923 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)Cl 2230a_100020605311_100000211444 [0,1,0,1,0,0|2,0,0]=4 21924 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)Cl 269982a_100020605311_100000211444 [0,1,0,1,0,0|2,0,0]=4 21925 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)F 2230a_100020605311_100000215616 [0,1,0,1,0,0|2,0,0]=4 21926 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)F 269982a_100020605311_100000215616 [0,1,0,1,0,0|2,0,0]=4 21927 B17R2.41755 C[C@H]1CCCN1CC(=O)c2cccc(c2)O 269982a_100020605311_100009813753 [0,1,0,1,0,0|2,0,0]=4 21928 B17R2.41755 Cc1cccc(c1)C(=O)CN2CCC[C@@H]2C 2230a_100020605311_100000739480 [0,1,0,1,0,0|2,0,0]=4 21929 B17R2.41755 Cc1cccc(c1)C(=O)CN2CCC[C@@H]2C 269982a_100020605311_100000739480 [0,1,0,1,0,0|2,0,0]=4 21930 B17R2.41755 Cc1cccc(c1)C(=O)CN2CCC[C@H]2C 2230a_100015189458_100000739480 [0,1,0,1,0,0|2,0,0]=4 21931 B17R2.41755 Cc1cccc(c1)C(=O)CN2CCC[C@H]2C 269982a_100015189458_100000739480 [0,1,0,1,0,0|2,0,0]=4 21932 B17R2.41755 Cc1cccc(c1)C(=O)CN2CCC[C@H]2C 34a_100015189458_100000739480 [0,1,0,1,0,0|2,0,0]=4 21933 B17R2.41755 Cc1cccc(c1)C(=O)N[C@H]2CCC[C@@H]2O 11a_100000748460_100000189346 [0,1,0,1,0,0|2,0,0]=4 21934 B17R2.41755 Cc1cccc(c1)C(=O)N[C@H]2CCC[C@@H]2O 240690a_100000748460_100000189346 [0,1,0,1,0,0|2,0,0]=4 21935 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)Br 11a_100000748460_100000210664 [0,1,0,1,0,0|2,0,0]=4 21936 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)Br 240690a_100000748460_100000210664 [0,1,0,1,0,0|2,0,0]=4 21937 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)Cl 11a_100000748460_100000210390 [0,1,0,1,0,0|2,0,0]=4 21938 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)Cl 240690a_100000748460_100000210390 [0,1,0,1,0,0|2,0,0]=4 21939 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)F 11a_100000748460_100000210950 [0,1,0,1,0,0|2,0,0]=4 21940 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)F 240690a_100000748460_100000210950 [0,1,0,1,0,0|2,0,0]=4 21941 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)I 11a_100000748460_100000184098 [0,1,0,1,0,0|2,0,0]=4 21942 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)I 240690a_100000748460_100000184098 [0,1,0,1,0,0|2,0,0]=4 21943 B17R2.41755 O=C(N[C@H]1CCC[C@@H]1O)c2cccc(c2)O 240690a_100000748460_100000183914 [0,1,0,1,0,0|2,0,0]=4 21944 B17R2.273415 Cc1cccc(c1)C(=O)C2CCCCCC2 1458a_100000189346_100011217769 [0,1,0,1,0,0|1,0,0]=3 21945 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCCCC2 11a_100000185865_100000189346 [0,1,0,1,0,0|1,0,0]=3 21946 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCCCC2 1626a_100000185865_100000189346 [0,1,0,1,0,0|1,0,0]=3 21947 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCCCC2 240690a_100000185865_100000189346 [0,1,0,1,0,0|1,0,0]=3 21948 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCCCC2 527a_100000185865_100000189346 [0,1,0,1,0,0|1,0,0]=3 21949 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCOCC2 11a_100000685342_100000189346 [0,1,0,1,0,0|2,0,0]=4 21950 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCOCC2 1626a_100000685342_100000189346 [0,1,0,1,0,0|2,0,0]=4 21951 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCOCC2 240690a_100000685342_100000189346 [0,1,0,1,0,0|2,0,0]=4 21952 B17R2.273415 Cc1cccc(c1)C(=O)N2CCCOCC2 527a_100000685342_100000189346 [0,1,0,1,0,0|2,0,0]=4 21953 B17R2.273415 O=C(c1cccc(c1)Br)C2CCCCCC2 1458a_100000210664_100011217769 [0,1,0,1,0,0|1,0,0]=3 21954 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCCCC2 11a_100000185865_100000210664 [0,1,0,1,0,0|1,0,0]=3 21955 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCCCC2 1626a_100000185865_100000210664 [0,1,0,1,0,0|1,0,0]=3 21956 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCCCC2 240690a_100000185865_100000210664 [0,1,0,1,0,0|1,0,0]=3 21957 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCCCC2 527a_100000185865_100000210664 [0,1,0,1,0,0|1,0,0]=3 21958 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCOCC2 11a_100000685342_100000210664 [0,1,0,1,0,0|2,0,0]=4 21959 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCOCC2 1626a_100000685342_100000210664 [0,1,0,1,0,0|2,0,0]=4 21960 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCOCC2 240690a_100000685342_100000210664 [0,1,0,1,0,0|2,0,0]=4 21961 B17R2.273415 O=C(c1cccc(c1)Br)N2CCCOCC2 527a_100000685342_100000210664 [0,1,0,1,0,0|2,0,0]=4 21962 B17R2.273415 O=C(c1cccc(c1)Cl)C2CCCCCC2 1458a_100000210390_100011217769 [0,1,0,1,0,0|1,0,0]=3 21963 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCCCC2 11a_100000185865_100000210390 [0,1,0,1,0,0|1,0,0]=3 21964 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCCCC2 1626a_100000185865_100000210390 [0,1,0,1,0,0|1,0,0]=3 21965 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCCCC2 240690a_100000185865_100000210390 [0,1,0,1,0,0|1,0,0]=3 21966 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCCCC2 527a_100000185865_100000210390 [0,1,0,1,0,0|1,0,0]=3 21967 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCOCC2 11a_100000685342_100000210390 [0,1,0,1,0,0|2,0,0]=4 21968 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCOCC2 1626a_100000685342_100000210390 [0,1,0,1,0,0|2,0,0]=4 21969 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCOCC2 240690a_100000685342_100000210390 [0,1,0,1,0,0|2,0,0]=4 21970 B17R2.273415 O=C(c1cccc(c1)Cl)N2CCCOCC2 527a_100000685342_100000210390 [0,1,0,1,0,0|2,0,0]=4 21971 B17R2.273415 O=C(c1cccc(c1)F)C2CCCCCC2 1458a_100000210950_100011217769 [0,1,0,1,0,0|1,0,0]=3 21972 B17R2.273415 O=C(c1cccc(c1)F)N2CCCCCC2 11a_100000185865_100000210950 [0,1,0,1,0,0|1,0,0]=3 21973 B17R2.273415 O=C(c1cccc(c1)F)N2CCCCCC2 1626a_100000185865_100000210950 [0,1,0,1,0,0|1,0,0]=3 21974 B17R2.273415 O=C(c1cccc(c1)F)N2CCCCCC2 240690a_100000185865_100000210950 [0,1,0,1,0,0|1,0,0]=3 21975 B17R2.273415 O=C(c1cccc(c1)F)N2CCCCCC2 527a_100000185865_100000210950 [0,1,0,1,0,0|1,0,0]=3 21976 B17R2.273415 O=C(c1cccc(c1)F)N2CCCOCC2 11a_100000685342_100000210950 [0,1,0,1,0,0|2,0,0]=4 21977 B17R2.273415 O=C(c1cccc(c1)F)N2CCCOCC2 1626a_100000685342_100000210950 [0,1,0,1,0,0|2,0,0]=4 21978 B17R2.273415 O=C(c1cccc(c1)F)N2CCCOCC2 240690a_100000685342_100000210950 [0,1,0,1,0,0|2,0,0]=4 21979 B17R2.273415 O=C(c1cccc(c1)F)N2CCCOCC2 527a_100000685342_100000210950 [0,1,0,1,0,0|2,0,0]=4 21980 B17R2.273415 O=C(c1cccc(c1)I)C2CCCCCC2 1458a_100000184098_100011217769 [0,1,0,1,0,0|1,0,0]=3 21981 B17R2.273415 O=C(c1cccc(c1)I)N2CCCCCC2 11a_100000185865_100000184098 [0,1,0,1,0,0|1,0,0]=3 21982 B17R2.273415 O=C(c1cccc(c1)I)N2CCCCCC2 1626a_100000185865_100000184098 [0,1,0,1,0,0|1,0,0]=3 21983 B17R2.273415 O=C(c1cccc(c1)I)N2CCCCCC2 240690a_100000185865_100000184098 [0,1,0,1,0,0|1,0,0]=3 21984 B17R2.273415 O=C(c1cccc(c1)I)N2CCCCCC2 527a_100000185865_100000184098 [0,1,0,1,0,0|1,0,0]=3 21985 B17R2.273415 O=C(c1cccc(c1)I)N2CCCOCC2 11a_100000685342_100000184098 [0,1,0,1,0,0|2,0,0]=4 21986 B17R2.273415 O=C(c1cccc(c1)I)N2CCCOCC2 1626a_100000685342_100000184098 [0,1,0,1,0,0|2,0,0]=4 21987 B17R2.273415 O=C(c1cccc(c1)I)N2CCCOCC2 240690a_100000685342_100000184098 [0,1,0,1,0,0|2,0,0]=4 21988 B17R2.273415 O=C(c1cccc(c1)I)N2CCCOCC2 527a_100000685342_100000184098 [0,1,0,1,0,0|2,0,0]=4 21989 B17R2.273415 O=C(c1cccc(c1)O)C2CCCCCC2 1458a_100000183914_100011217769 [0,1,0,1,0,0|1,0,0]=3 21990 B17R2.273415 O=C(c1cccc(c1)O)N2CCCCCC2 240690a_100000185865_100000183914 [0,1,0,1,0,0|1,0,0]=3 21991 B17R2.273415 O=C(c1cccc(c1)O)N2CCCCCC2 527a_100000185865_100000183914 [0,1,0,1,0,0|1,0,0]=3 21992 B17R2.273415 O=C(c1cccc(c1)O)N2CCCOCC2 240690a_100000685342_100000183914 [0,1,0,1,0,0|2,0,0]=4 21993 B17R2.273415 O=C(c1cccc(c1)O)N2CCCOCC2 527a_100000685342_100000183914 [0,1,0,1,0,0|2,0,0]=4 21994 B17R2.273421 Cc1cccc(c1)C(=O)CNCCC2CC2 34a_100000764129_100000739480 [0,1,0,1,0,0|2,0,0]=4 21995 B17R2.273421 Cc1cccc(c1)C(=O)COCCC2CC2 34a_100000754188_100000739480 [0,1,0,1,0,0|2,0,0]=4 21996 B17R2.273421 Cc1cccc(c1)C(=O)COCCC2CC2 7a_100000754188_100000739480 [0,1,0,1,0,0|2,0,0]=4 21997 B17R2.273421 Cc1cccc(c1)C(=O)CSCCC2CC2 62a_100000739480_100000764125 [0,1,0,1,0,0|2,0,0]=4 21998 B17R2.273421 Cc1cccc(c1)C(=O)CSCCC2CC2 62a_100000764125_100000739480 [0,1,0,1,0,0|2,0,0]=4 21999 B17R2.273421 O=C(CNCCC1CC1)c2cccc(c2)Br 34a_100000764129_100000212080 [0,1,0,1,0,0|2,0,0]=4 22000 B17R2.273421 O=C(CNCCC1CC1)c2cccc(c2)Cl 34a_100000764129_100000211444 [0,1,0,1,0,0|2,0,0]=4 22001 B17R2.273421 O=C(CNCCC1CC1)c2cccc(c2)F 34a_100000764129_100000215616 [0,1,0,1,0,0|2,0,0]=4 22002 B17R2.273421 O=C(CNCCC1CC1)c2cccc(c2)O 34a_100000764129_100009813753 [0,1,0,1,0,0|2,0,0]=4 22003 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)Br 34a_100000754188_100000212080 [0,1,0,1,0,0|2,0,0]=4 22004 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)Br 7a_100000754188_100000212080 [0,1,0,1,0,0|2,0,0]=4 22005 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)Cl 34a_100000754188_100000211444 [0,1,0,1,0,0|2,0,0]=4 22006 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)Cl 7a_100000754188_100000211444 [0,1,0,1,0,0|2,0,0]=4 22007 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)Cl 7a_200011592804_100000764125 [0,1,0,1,0,0|2,0,0]=4 22008 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)F 34a_100000754188_100000215616 [0,1,0,1,0,0|2,0,0]=4 22009 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)F 34a_100011592800_100000694398 [0,1,0,1,0,0|2,0,0]=4 22010 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)F 7a_100011592800_100000764125 [0,1,0,1,0,0|2,0,0]=4 22011 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)O 34a_100000754188_100009813753 [0,1,0,1,0,0|2,0,0]=4 22012 B17R2.273421 O=C(COCCC1CC1)c2cccc(c2)O 7a_100000754188_100009813753 [0,1,0,1,0,0|2,0,0]=4 22013 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)Br 62a_100000212080_100000764125 [0,1,0,1,0,0|2,0,0]=4 22014 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)Br 62a_100000764125_100000212080 [0,1,0,1,0,0|2,0,0]=4 22015 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)Cl 62a_100000211444_100000764125 [0,1,0,1,0,0|2,0,0]=4 22016 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)Cl 62a_100000764125_100000211444 [0,1,0,1,0,0|2,0,0]=4 22017 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)F 62a_100000215616_100000764125 [0,1,0,1,0,0|2,0,0]=4 22018 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)F 62a_100000764125_100000215616 [0,1,0,1,0,0|2,0,0]=4 22019 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)O 62a_100000764125_100009813753 [0,1,0,1,0,0|2,0,0]=4 22020 B17R2.273421 O=C(CSCCC1CC1)c2cccc(c2)O 62a_100009813753_100000764125 [0,1,0,1,0,0|2,0,0]=4 22021 B17R2.273421 O=C(NCCOC1CC1)c2cccc(c2)Br 34a_200000158903_100000211595 [0,1,0,1,0,0|2,0,0]=4 22022 B17R2.273432 Cc1cccc(c1)C(=O)CNCC2CCC2 2230a_100000738700_100000739480 [0,1,0,1,0,0|2,0,0]=4 22023 B17R2.273432 Cc1cccc(c1)C(=O)CNCC2CCC2 34a_100000738700_100000739480 [0,1,0,1,0,0|2,0,0]=4 22024 B17R2.273432 Cc1cccc(c1)C(=O)COCC2CCC2 34a_100000760304_100000739480 [0,1,0,1,0,0|2,0,0]=4 22025 B17R2.273432 Cc1cccc(c1)C(=O)CSCC2CCC2 62a_100000739480_100000763275 [0,1,0,1,0,0|2,0,0]=4 22026 B17R2.273432 Cc1cccc(c1)C(=O)CSCC2CCC2 62a_100000763275_100000739480 [0,1,0,1,0,0|2,0,0]=4 22027 B17R2.273432 Cc1cccc(c1)C(=O)NCCN2CCC2 240690a_100000691440_100000189346 [0,1,0,1,0,0|2,0,0]=4 22028 B17R2.273432 Cc1cccc(c1)C(=O)NNCC2CCC2 22a_200020586977_100000189346 [0,1,0,1,0,0|2,0,0]=4 22029 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)Br 2230a_100000738700_100000212080 [0,1,0,1,0,0|2,0,0]=4 22030 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)Br 34a_100000738700_100000212080 [0,1,0,1,0,0|2,0,0]=4 22031 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)Cl 2230a_100000738700_100000211444 [0,1,0,1,0,0|2,0,0]=4 22032 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)Cl 34a_100000738700_100000211444 [0,1,0,1,0,0|2,0,0]=4 22033 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)F 2230a_100000738700_100000215616 [0,1,0,1,0,0|2,0,0]=4 22034 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)F 34a_100000738700_100000215616 [0,1,0,1,0,0|2,0,0]=4 22035 B17R2.273432 O=C(CNCC1CCC1)c2cccc(c2)O 34a_100000738700_100009813753 [0,1,0,1,0,0|2,0,0]=4 22036 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)Br 34a_100000760304_100000212080 [0,1,0,1,0,0|2,0,0]=4 22037 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)Cl 34a_100000760304_100000211444 [0,1,0,1,0,0|2,0,0]=4 22038 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)Cl 7a_200011592804_100000763275 [0,1,0,1,0,0|2,0,0]=4 22039 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)F 34a_100000760304_100000215616 [0,1,0,1,0,0|2,0,0]=4 22040 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)F 34a_100011592800_100000763275 [0,1,0,1,0,0|2,0,0]=4 22041 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)F 7a_100011592800_100000763275 [0,1,0,1,0,0|2,0,0]=4 22042 B17R2.273432 O=C(COCC1CCC1)c2cccc(c2)O 34a_100000760304_100009813753 [0,1,0,1,0,0|2,0,0]=4 22043 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)Br 62a_100000212080_100000763275 [0,1,0,1,0,0|2,0,0]=4 22044 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)Br 62a_100000763275_100000212080 [0,1,0,1,0,0|2,0,0]=4 22045 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)Cl 62a_100000211444_100000763275 [0,1,0,1,0,0|2,0,0]=4 22046 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)Cl 62a_100000763275_100000211444 [0,1,0,1,0,0|2,0,0]=4 22047 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)F 62a_100000215616_100000763275 [0,1,0,1,0,0|2,0,0]=4 22048 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)F 62a_100000763275_100000215616 [0,1,0,1,0,0|2,0,0]=4 22049 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)O 62a_100000763275_100009813753 [0,1,0,1,0,0|2,0,0]=4 22050 B17R2.273432 O=C(CSCC1CCC1)c2cccc(c2)O 62a_100009813753_100000763275 [0,1,0,1,0,0|2,0,0]=4 22051 B17R2.273432 O=C(NCCN1CCC1)c2cccc(c2)Br 240690a_100000691440_100000210664 [0,1,0,1,0,0|2,0,0]=4 22052 B17R2.273432 O=C(NCCN1CCC1)c2cccc(c2)Cl 240690a_100000691440_100000210390 [0,1,0,1,0,0|2,0,0]=4 22053 B17R2.273432 O=C(NCCN1CCC1)c2cccc(c2)F 240690a_100000691440_100000210950 [0,1,0,1,0,0|2,0,0]=4 22054 B17R2.273432 O=C(NCCN1CCC1)c2cccc(c2)I 240690a_100000691440_100000184098 [0,1,0,1,0,0|2,0,0]=4 22055 B17R2.273432 O=C(NCCN1CCC1)c2cccc(c2)O 240690a_100000691440_100000183914 [0,1,0,1,0,0|2,0,0]=4 22056 B17R2.273432 O=C(NNCC1CCC1)c2cccc(c2)Br 22a_200020586977_100000210664 [0,1,0,1,0,0|2,0,0]=4 22057 B17R2.273432 O=C(NNCC1CCC1)c2cccc(c2)Cl 22a_200020586977_100000210390 [0,1,0,1,0,0|2,0,0]=4 22058 B17R2.273432 O=C(NNCC1CCC1)c2cccc(c2)F 22a_200020586977_100000210950 [0,1,0,1,0,0|2,0,0]=4 22059 B17R2.273432 O=C(NNCC1CCC1)c2cccc(c2)I 22a_200020586977_100000184098 [0,1,0,1,0,0|2,0,0]=4 22060 B17R2.273432 O=C(NNCC1CCC1)c2cccc(c2)O 22a_200020586977_100000183914 [0,1,0,1,0,0|2,0,0]=4 22061 B17R2.3241 CN1CCC(C1)CNC(=O)c2ccccc2 240690a_100000742581_100000185807 [0,1,0,1,0,0|2,0,0]=4 22062 B17R2.3241 CN1CCC(C1)CNC(=O)c2ccccc2 527a_100000742581_100000185807 [0,1,0,1,0,0|2,0,0]=4 22063 B17R2.3241 C[C@@H]1CCN(C1)CCC(=O)c2ccccc2 2230a_100016987628_100000750707 [0,1,0,1,0,0|2,0,0]=4 22064 B17R2.3241 C[C@@H]1CCN(C1)CCC(=O)c2ccccc2 269982a_100016987628_100000750707 [0,1,0,1,0,0|2,0,0]=4 22065 B17R2.3241 C[C@@H]1CCN(C1)COC(=O)c2ccccc2 269982a_100016987628_100000073877 [0,1,0,1,0,0|1,0,0]=3 22066 B17R2.3241 O=C(CCN1CCC(C1)O)c2ccccc2 2230a_100011215560_100000750707 [0,1,0,1,0,0|2,0,0]=4 22067 B17R2.3241 O=C(CCN1CCC(C1)O)c2ccccc2 269982a_100011215560_100000750707 [0,1,0,1,0,0|2,0,0]=4 22068 B17R2.3241 O=C(CCN1CC[C@@H](C1)F)c2ccccc2 2230a_100015203821_100000750707 [0,1,0,1,0,0|2,0,0]=4 22069 B17R2.3241 O=C(CCN1CC[C@@H](C1)F)c2ccccc2 269982a_100015203821_100000750707 [0,1,0,1,0,0|2,0,0]=4 22070 B17R2.3241 O=C(OCN1CCC(C1)O)c2ccccc2 269982a_100011215560_100000073877 [0,1,0,1,0,0|1,0,0]=3 22071 B17R2.3241 O=C(OCN1CC[C@@H](C1)F)c2ccccc2 269982a_100015203821_100000073877 [0,1,0,1,0,0|1,0,0]=3 22072 B17R2.5223 CC1CN(C1)CCCC(=O)c2ccccc2 2230a_100000702820_100000211006 [0,1,0,1,0,0|2,0,0]=4 22073 B17R2.5223 CC1CN(C1)CCCC(=O)c2ccccc2 269982a_100000702820_100000211006 [0,1,0,1,0,0|2,0,0]=4 22074 B17R2.5223 CC1CN(C1)CCNC(=O)c2ccccc2 269982a_100000702820_200011215302 [0,1,0,1,0,0|2,0,0]=4 22075 B17R2.5223 CC1CN(C1)CCOC(=O)c2ccccc2 269982a_100000702820_100009812718 [0,1,0,1,0,0|1,0,0]=3 22076 B17R2.5223 CC1CN(C1)CCOC(=O)c2ccccc2 34a_100000702820_100009812718 [0,1,0,1,0,0|1,0,0]=3 22077 B17R2.5223 O=C(CCCN1CC(C1)F)c2ccccc2 2230a_100000690557_100000211006 [0,1,0,1,0,0|2,0,0]=4 22078 B17R2.5223 O=C(CCCN1CC(C1)F)c2ccccc2 269982a_100000690557_100000211006 [0,1,0,1,0,0|2,0,0]=4 22079 B17R2.5223 O=C(CCCN1CC(C1)O)c2ccccc2 269982a_100000749847_100000211006 [0,1,0,1,0,0|2,0,0]=4 22080 B17R2.5223 O=C(CCNC1CC(C1)F)c2ccccc2 2230a_100016993743_100000750707 [0,1,0,1,0,0|2,0,0]=4 22081 B17R2.5223 O=C(CCN[C@H]1C[C@@H](C1)O)c2ccccc2 2230a_100020629032_100000750707 [0,1,0,1,0,0|2,0,0]=4 22082 B17R2.5223 O=C(NCCN1CC(C1)F)c2ccccc2 269982a_100000690557_200011215302 [0,1,0,1,0,0|2,0,0]=4 22083 B17R2.5223 O=C(NCCN1CC(C1)O)c2ccccc2 269982a_100000749847_200011215302 [0,1,0,1,0,0|2,0,0]=4 22084 B17R2.5223 O=C(OCCN1CC(C1)F)c2ccccc2 269982a_100000690557_100009812718 [0,1,0,1,0,0|1,0,0]=3 22085 B17R2.5223 O=C(OCCN1CC(C1)F)c2ccccc2 34a_100000690557_100009812718 [0,1,0,1,0,0|1,0,0]=3 22086 B17R2.5223 O=C(OCCN1CC(C1)O)c2ccccc2 269982a_100000749847_100009812718 [0,1,0,1,0,0|1,0,0]=3 22087 B17R2.5223 O=C1CC(C1)SCOC(=O)c2ccccc2 62a_100009894365_100000073877 [0,1,0,1,0,0|1,0,1]=4 22088 B17R2.5697 CC(=O)[C@H]1CCCN1C(=O)c2ccccc2 1458a_100011866296_200000210301 [0,1,0,1,0,0|1,0,1]=4 22089 B17R2.5697 CC(C)C1CCCN1C(=O)c2ccccc2 11a_100000762757_100000185807 [0,1,0,1,0,0|1,0,0]=3 22090 B17R2.5697 CC(C)C1CCCN1C(=O)c2ccccc2 1626a_100000762757_100000185807 [0,1,0,1,0,0|1,0,0]=3 22091 B17R2.5697 CC(C)C1CCCN1C(=O)c2ccccc2 240690a_100000762757_100000185807 [0,1,0,1,0,0|1,0,0]=3 22092 B17R2.5697 CC(C)C1CCCN1C(=O)c2ccccc2 527a_100000762757_100000185807 [0,1,0,1,0,0|1,0,0]=3 22093 B17R2.5697 [13CH3]C(=O)[C@H]1CCCN1C(=O)c2ccccc2 1458a_100011866296_200025704644 [0,1,0,1,0,0|1,0,1]=4 22094 B17R2.5730 CC(OC1CCCC1(C)C)c2ccccc2 34a_100000726220_100000211855 [0,1,0,1,0,0|1,0,1]=4 22095 B17R2.5730 CC(OC1CCCC1(C)C)c2ccccc2 7a_100000726220_100000230085 [0,1,0,1,0,0|1,0,1]=4 22096 B17R2.5730 CC1(CCCN1CC(=O)c2ccccc2)C 269982a_100000761399_100000211460 [0,1,0,1,0,0|2,0,0]=4 22097 B17R2.5730 C[C@]1(CCC[C@H]1NC(=O)c2ccccc2)O 11a_100015977457_100000185807 [0,1,0,1,0,0|1,0,0]=3 22098 B17R2.5730 C[C@]1(CCC[C@H]1NC(=O)c2ccccc2)O 1626a_100015977457_100000185807 [0,1,0,1,0,0|1,0,0]=3 22099 B17R2.5730 C[C@]1(CCC[C@H]1NC(=O)c2ccccc2)O 240690a_100015977457_100000185807 [0,1,0,1,0,0|1,0,0]=3 22100 B17R2.5730 C[C@]1(CCC[C@H]1NC(=O)c2ccccc2)O 527a_100015977457_100000185807 [0,1,0,1,0,0|1,0,0]=3 22101 B17R2.5730 O=C(NC1CCCC1(F)F)c2ccccc2 11a_100000767123_100000185807 [0,1,0,1,0,0|2,0,0]=4 22102 B17R2.5730 O=C(NC1CCCC1(F)F)c2ccccc2 1626a_100000767123_100000185807 [0,1,0,1,0,0|2,0,0]=4 22103 B17R2.5730 O=C(NC1CCCC1(F)F)c2ccccc2 240690a_100000767123_100000185807 [0,1,0,1,0,0|2,0,0]=4 22104 B17R2.5730 O=C(NC1CCCC1(F)F)c2ccccc2 527a_100000767123_100000185807 [0,1,0,1,0,0|2,0,0]=4 22105 B17R2.10202 CC1(COCCN1C(=O)c2ccccc2)C 11a_100000724681_100000185807 [0,1,0,1,0,0|2,0,0]=4 22106 B17R2.10202 CC1(COCCN1C(=O)c2ccccc2)C 1626a_100000724681_100000185807 [0,1,0,1,0,0|2,0,0]=4 22107 B17R2.10202 CC1(COCCN1C(=O)c2ccccc2)C 240690a_100000724681_100000185807 [0,1,0,1,0,0|2,0,0]=4 22108 B17R2.19949 O=C(c1ccccc1)N2CCCCC(C2)O 240690a_100025706797_100000185807 [0,1,0,1,0,0|1,0,0]=3 22109 B17R2.19949 O=C(c1ccccc1)N2CCOC[C@@H](C2)O 11a_100016073750_100000185807 [0,1,0,1,0,0|2,0,0]=4 22110 B17R2.19949 O=C(c1ccccc1)N2CCOC[C@@H](C2)O 240690a_100016073750_100000185807 [0,1,0,1,0,0|2,0,0]=4 22111 B17R2.39629 CC(C)COC1CCC(=O)c2c1cccc2 7a_100000100557_100000210760 [0,1,0,1,0,0|2,0,0]=4 22112 B17R2.39629 CC(O)COC1CCC(=O)c2c1cccc2 7a_100000100557_100011218427 [0,1,0,1,0,0|2,0,0]=4 22113 B17R2.39629 C[C@@H](O)COC1CCC(=O)c2c1cccc2 7a_100000100557_100009817552 [0,1,0,1,0,0|2,0,0]=4 22114 B17R2.45569 CC1(CC1COCC(=O)c2ccccc2)C 7a_100000728257_100000211460 [0,1,0,1,0,0|2,0,0]=4 22115 B17R2.78537 C=C(C)CCSC1OC(=O)c2c1cccc2 62a_100000730704_100009813457 [0,1,0,1,0,0|1,0,1]=4 22116 B17R2.78537 CC(=O)CCSC1OC(=O)c2c1cccc2 62a_100000053229_100009813457 [0,1,0,1,0,0|1,0,1]=4 22117 B17R2.78537 CC(C)CCOC1CC(=O)c2c1cccc2 7a_100000210254_100010208147 [0,1,0,1,0,0|2,0,0]=4 22118 B17R2.78537 CC(C)CCSC1CC(=O)c2c1cccc2 62a_100000210312_100010208147 [0,1,0,1,0,0|2,0,0]=4 22119 B17R2.78537 CC(C)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210312 [0,1,0,1,0,0|2,0,0]=4 22120 B17R2.78537 CC(C)CCSC1OC(=O)c2c1cccc2 62a_100000210312_100009813457 [0,1,0,1,0,0|1,0,0]=3 22121 B17R2.78537 CC(C)OCSC1OC(=O)c2c1cccc2 62a_100000709892_100009813457 [0,1,0,1,0,0|2,0,0]=4 22122 B17R2.78537 CC(O)CCNC1CC(=O)c2c1cccc2 2230a_200000755665_100010208147 [0,1,0,1,0,0|2,0,0]=4 22123 B17R2.78537 CC(O)CCNC1OC(=O)c2c1cccc2 2230a_200000755665_100009813457 [0,1,0,1,0,0|1,0,0]=3 22124 B17R2.78537 CC(O)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100012276601 [0,1,0,1,0,0|2,0,0]=4 22125 B17R2.78537 CC(O)CCSC1CC(=O)c2c1cccc2 62a_100012276601_100010208147 [0,1,0,1,0,0|2,0,0]=4 22126 B17R2.78537 CC(O)CCSC1OC(=O)c2c1cccc2 62a_100012276601_100009813457 [0,1,0,1,0,0|1,0,0]=3 22127 B17R2.290613 CC(C)CCCCOC1Cc2c1cccc2 7a_100011214890_100009813401 [0,1,0,1,0,0|1,0,1]=4 22128 B17R2.3 CCCCCCOC1CCc2c1cccc2 34a_100000212247_100000210314 [0,1,0,1,0,0|1,0,1]=4 22129 B17R2.3 CCCCCCOC1CCc2c1cccc2 7a_100000212247_100000210314 [0,1,0,1,0,0|1,0,1]=4 22130 B17R2.3 CCCCCCOc1csc2c1cccc2 34a_100000077758_100000210314 [0,1,0,1,0,0|0,1,0]=3 22131 B17R2.3 CCCCCCOc1csc2c1cccc2 7a_100000077758_100000210314 [0,1,0,1,0,0|0,1,0]=3 22132 B17R2.3 CCCCCCSc1coc2c1cccc2 62a_100000210314_100009812202 [0,1,0,1,0,0|0,1,1]=4 22133 B17R2.3 CCCCCCSc1csc2c1cccc2 62a_100000210314_100009813928 [0,1,0,1,0,0|0,2,0]=4 22134 B17R2.3 CCCCCCSc1n[nH]c2c1cccc2 62a_100000210314_100000050141 [0,1,0,1,0,0|1,1,0]=4 22135 B17R2.3 CCCCCCSc1noc2c1cccc2 62a_100000210314_200000703156 [0,1,0,1,0,0|0,1,1]=4 22136 B17R2.3 CCCCCCSc1noc2c1cccc2 62a_200000703156_100000210757 [0,1,0,1,0,0|0,1,1]=4 22137 B17R2.3 CCCCOCOc1csc2c1cccc2 34a_100000077758_100011995733 [0,1,0,1,0,0|1,1,0]=4 22138 B17R2.3 CCCOCCOc1csc2c1cccc2 34a_100000077758_100011215938 [0,1,0,1,0,0|1,1,0]=4 22139 B17R2.3 CCCOCCOc1csc2c1cccc2 7a_100000077758_100011215938 [0,1,0,1,0,0|1,1,0]=4 22140 B17R2.3 CCOCCCOc1csc2c1cccc2 34a_100000077758_100012232248 [0,1,0,1,0,0|1,1,0]=4 22141 B17R2.3 CCOCCCOc1csc2c1cccc2 7a_100000077758_100012232248 [0,1,0,1,0,0|1,1,0]=4 22142 B17R2.3 COCCCCOc1csc2c1cccc2 34a_100000077758_100000755781 [0,1,0,1,0,0|1,1,0]=4 22143 B17R2.3 COCCCCOc1csc2c1cccc2 7a_100000077758_100000730899 [0,1,0,1,0,0|1,1,0]=4 22144 B17R2.3 FCCCCCOc1csc2c1cccc2 34a_100000077758_100000729378 [0,1,0,1,0,0|1,1,0]=4 22145 B17R2.3 FCCCCCOc1csc2c1cccc2 7a_100000077758_100000729378 [0,1,0,1,0,0|1,1,0]=4 22146 B17R2.3 OCCCCCOc1csc2c1cccc2 34a_100000077758_100000746330 [0,1,0,1,0,0|1,1,0]=4 22147 B17R2.3 OCCCCCOc1csc2c1cccc2 7a_100000077758_100000746330 [0,1,0,1,0,0|1,1,0]=4 22148 B17R2.162 BrCC(OC1CCCCC1)c2ccccc2 7a_100000185958_100000210327 [0,1,0,1,0,0|1,0,1]=4 22149 B17R2.162 C#CC(OC1CCCCC1)c2ccccc2 34a_100011219616_100000210327 [0,1,0,1,0,0|1,0,1]=4 22150 B17R2.162 C#CC(OC1CCCCC1)c2ccccc2 7a_100011219616_100000210327 [0,1,0,1,0,0|1,0,1]=4 22151 B17R2.162 C=CC(OC1CCCCC1)c2ccccc2 34a_100011215659_100000210327 [0,1,0,1,0,0|1,0,1]=4 22152 B17R2.162 C=CC(OC1CCCCC1)c2ccccc2 7a_100011215659_100000210327 [0,1,0,1,0,0|1,0,1]=4 22153 B17R2.162 CCC(OC1CCCCC1)c2ccccc2 34a_100000698172_100000210327 [0,1,0,1,0,0|1,0,1]=4 22154 B17R2.162 CCC(OC1CCCCC1)c2ccccc2 7a_100000698172_100000210327 [0,1,0,1,0,0|1,0,1]=4 22155 B17R2.162 ClC[C@@H](OC1CCCCC1)c2ccccc2 34a_100011933945_100000210327 [0,1,0,1,0,0|1,0,1]=4 22156 B17R2.162 ClC[C@@H](OC1CCCCC1)c2ccccc2 7a_100011933945_100000210327 [0,1,0,1,0,0|1,0,1]=4 22157 B17R2.162 N#CC(OC1CCCCC1)c2ccccc2 7a_100011217353_100000210327 [0,1,0,1,0,0|1,0,1]=4 22158 B17R2.162 NCC(OC1CCCCC1)c2ccccc2 34a_100000210709_100000210327 [0,1,0,1,0,0|1,0,1]=4 22159 B17R2.17880 BrCC(OCC1CCCC1)c2ccccc2 7a_100000185958_100000740388 [0,1,0,1,0,0|1,0,1]=4 22160 B17R2.17880 C#CC(OCC1CCCC1)c2ccccc2 34a_100011219616_100000740388 [0,1,0,1,0,0|1,0,1]=4 22161 B17R2.17880 C#CC(OCC1CCCC1)c2ccccc2 7a_100011219616_100000740388 [0,1,0,1,0,0|1,0,1]=4 22162 B17R2.17880 C=CC(OCC1CCCC1)c2ccccc2 34a_100011215659_100000740388 [0,1,0,1,0,0|1,0,1]=4 22163 B17R2.17880 C=CC(OCC1CCCC1)c2ccccc2 7a_100011215659_100000740388 [0,1,0,1,0,0|1,0,1]=4 22164 B17R2.17880 CCC(OCC1CCCC1)c2ccccc2 34a_100000698172_100000740388 [0,1,0,1,0,0|1,0,1]=4 22165 B17R2.17880 CCC(OCC1CCCC1)c2ccccc2 7a_100000698172_100000740388 [0,1,0,1,0,0|1,0,1]=4 22166 B17R2.17880 ClC[C@@H](OCC1CCCC1)c2ccccc2 34a_100011933945_100000740388 [0,1,0,1,0,0|1,0,1]=4 22167 B17R2.17880 ClC[C@@H](OCC1CCCC1)c2ccccc2 7a_100011933945_100000740388 [0,1,0,1,0,0|1,0,1]=4 22168 B17R2.17880 N#CC(OCC1CCCC1)c2ccccc2 7a_100011217353_100000740388 [0,1,0,1,0,0|1,0,1]=4 22169 B17R2.17880 NCC(OCC1CCCC1)c2ccccc2 34a_100000210709_100000740388 [0,1,0,1,0,0|1,0,1]=4 22170 B17R2.1689 CCC1CN(C1)CCC(=O)c2ccccc2 2230a_100015205115_100000750707 [0,1,0,1,0,0|2,0,0]=4 22171 B17R2.1689 CCC1CN(C1)CCC(=O)c2ccccc2 269982a_100015205115_100000750707 [0,1,0,1,0,0|2,0,0]=4 22172 B17R2.1689 CCC1CN(C1)COC(=O)c2ccccc2 269982a_100015205115_100000073877 [0,1,0,1,0,0|1,0,0]=3 22173 B17R2.1689 COC1CN(C1)COC(=O)c2ccccc2 269982a_100000755009_100000073877 [0,1,0,1,0,0|2,0,0]=4 22174 B17R2.1689 CSC1CN(C1)COC(=O)c2ccccc2 269982a_100016990038_100000073877 [0,1,0,1,0,0|2,0,0]=4 22175 B17R2.1689 O=C(OCN1CC(C1)CF)c2ccccc2 269982a_100010363649_100000073877 [0,1,0,1,0,0|2,0,0]=4 22176 B17R2.1689 O=C(OCN1CC(C1)CO)c2ccccc2 269982a_100016987283_100000073877 [0,1,0,1,0,0|2,0,0]=4 22177 B17R2.2594 O=C(c1ccccc1)N2C[C@@H](C[C@H]2CO)O 240690a_100000707816_100000185807 [0,1,0,1,0,0|2,0,0]=4 22178 B17R2.2594 O=C(c1ccccc1)N2C[C@@H](C[C@H]2CO)O 527a_100000707816_100000185807 [0,1,0,1,0,0|2,0,0]=4 22179 B17R2.2594 O=C(c1ccccc1)N2C[C@H](C[C@H]2CO)F 240690a_100015204000_100000185807 [0,1,0,1,0,0|2,0,0]=4 22180 B17R2.2594 O=C(c1ccccc1)N2C[C@H](C[C@H]2CO)F 527a_100015204000_100000185807 [0,1,0,1,0,0|2,0,0]=4 22181 B17R2.3860 CC1CC1C(=O)CCC(=O)c2ccccc2 1458a_100000211227_100000750707 [0,1,0,1,0,0|1,0,1]=4 22182 B17R2.3860 CC1CC1C(=O)COC(=O)c2ccccc2 1458a_100000211227_100000073877 [0,1,0,1,0,0|0,0,1]=3 22183 B17R2.3860 O=C(OCC(=O)[C@@H]1C[C@@H]1F)c2ccccc2 1458a_100015396687_100000073877 [0,1,0,1,0,0|1,0,1]=4 22184 B17R2.5356 C[C@@H]1CN([C@@H](CO1)C)C(=O)c2ccccc2 11a_100016991869_100000185807 [0,1,0,1,0,0|2,0,0]=4 22185 B17R2.5356 C[C@@H]1CN([C@@H](CO1)C)C(=O)c2ccccc2 1626a_100016991869_100000185807 [0,1,0,1,0,0|2,0,0]=4 22186 B17R2.5356 C[C@@H]1CN([C@@H](CO1)C)C(=O)c2ccccc2 240690a_100016991869_100000185807 [0,1,0,1,0,0|2,0,0]=4 22187 B17R2.5356 C[C@@H]1CN([C@@H](CO1)C)C(=O)c2ccccc2 527a_100016991869_100000185807 [0,1,0,1,0,0|2,0,0]=4 22188 B17R2.6560 CCCOC1CN(C1)C(=O)c2ccccc2 11a_200020626125_100000185807 [0,1,0,1,0,0|2,0,0]=4 22189 B17R2.6560 CCCOC1CN(C1)C(=O)c2ccccc2 1626a_200020626125_100000185807 [0,1,0,1,0,0|2,0,0]=4 22190 B17R2.6560 CCCOC1CN(C1)C(=O)c2ccccc2 240690a_200020626125_100000185807 [0,1,0,1,0,0|2,0,0]=4 22191 B17R2.6560 CCCOC1CN(C1)C(=O)c2ccccc2 527a_200020626125_100000185807 [0,1,0,1,0,0|2,0,0]=4 22192 B17R2.8659 CC1CCC(N1CC(=O)c2ccccc2)C 269982a_100000687148_100000211460 [0,1,0,1,0,0|2,0,0]=4 22193 B17R2.45541 CC(OCC(=O)c1ccccc1)C2CCC2 7a_100000766398_100000211460 [0,1,0,1,0,0|2,0,0]=4 22194 B17R2.45541 CN(CCC(=O)c1ccccc1)C2CCC2 2230a_100000758072_100000750707 [0,1,0,1,0,0|2,0,0]=4 22195 B17R2.45541 CN(CCC(=O)c1ccccc1)C2CCC2 269982a_100000758072_100000750707 [0,1,0,1,0,0|2,0,0]=4 22196 B17R2.45541 CN(COC(=O)c1ccccc1)C2CCC2 269982a_100000758072_100000073877 [0,1,0,1,0,0|1,0,0]=3 22197 B17R2.45541 CN(COC(=O)c1ccccc1)C2COC2 269982a_100102693430_100000073877 [0,1,0,1,0,0|2,0,0]=4 22198 B17R2.45541 O=C(CCC(=O)C1CCC1)c2ccccc2 1458a_100000209988_100000750707 [0,1,0,1,0,0|1,0,1]=4 22199 B17R2.45541 O=C(NCC(=O)C1CCC1)c2ccccc2 1458a_100000182045_100000749161 [0,1,0,1,0,0|1,0,1]=4 22200 B17R2.45541 O=C(OCC(=O)C1CCC1)c2ccccc2 1458a_100000209988_100000073877 [0,1,0,1,0,0|0,0,1]=3 22201 B17R2.45541 O=C(OCC(=O)C1CCO1)c2ccccc2 1458a_100000089072_100000073877 [0,1,0,1,0,0|1,0,1]=4 22202 B17R2.45541 O=C(OCC(=O)C1COC1)c2ccccc2 1458a_100000758290_100000073877 [0,1,0,1,0,0|1,0,1]=4 22203 B17R2.159317 CCCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210183_100010208147 [0,1,0,1,0,0|1,0,1]=4 22204 B17R2.159317 CCCCN(C)C1CC(=O)c2c1cccc2 2230a_100000207549_100010208147 [0,1,0,1,0,0|2,0,0]=4 22205 B17R2.159317 CCCCN(C)C1CC(=O)c2c1cccc2 269982a_100000207549_100010208147 [0,1,0,1,0,0|2,0,0]=4 22206 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 2230a_100000207549_100009813457 [0,1,0,1,0,0|1,0,0]=3 22207 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 269982a_100000207549_100009813457 [0,1,0,1,0,0|1,0,0]=3 22208 B17R2.159317 CN(CCCO)C1OC(=O)c2c1cccc2 2230a_100000213112_100009813457 [0,1,0,1,0,0|2,0,0]=4 22209 B17R2.159317 CN(CCCO)C1OC(=O)c2c1cccc2 269982a_100000213112_100009813457 [0,1,0,1,0,0|2,0,0]=4 22210 B17R2.159317 COCCN(C)C1OC(=O)c2c1cccc2 2230a_100000743101_100009813457 [0,1,0,1,0,0|2,0,0]=4 22211 B17R2.159317 COCCN(C)C1OC(=O)c2c1cccc2 269982a_100000743101_100009813457 [0,1,0,1,0,0|2,0,0]=4 22212 B17R2.159317 CSCCN(C)C1OC(=O)c2c1cccc2 2230a_100000686725_100009813457 [0,1,0,1,0,0|2,0,0]=4 22213 B17R2.159317 CSCCN(C)C1OC(=O)c2c1cccc2 269982a_100000686725_100009813457 [0,1,0,1,0,0|2,0,0]=4 22214 B17R2.294939 CN(CCC(=O)c1ccccc1)CC2CC2 2230a_100000741881_100000750707 [0,1,0,1,0,0|2,0,0]=4 22215 B17R2.294939 CN(CCC(=O)c1ccccc1)CC2CC2 269982a_100000741881_100000750707 [0,1,0,1,0,0|2,0,0]=4 22216 B17R2.294939 CN(COC(=O)c1ccccc1)CC2CC2 269982a_100000741881_100000073877 [0,1,0,1,0,0|1,0,0]=3 22217 B17R2.294939 O=C(CCC(=O)c1ccccc1)CC2CC2 1458a_100000738066_100000750707 [0,1,0,1,0,0|1,0,1]=4 22218 B17R2.294939 O=C(CNC(=O)c1ccccc1)CC2CC2 1458a_100000182045_100000742324 [0,1,0,1,0,0|1,0,1]=4 22219 B17R2.294939 O=C(COC(=O)c1ccccc1)CC2CC2 1458a_100000738066_100000073877 [0,1,0,1,0,0|0,0,1]=3 22220 B17R2.295596 CC(OCC1(CCCC1)N)c2ccccc2 34a_100000749328_100000211855 [0,1,0,1,0,0|1,0,1]=4 22221 B17R2.295596 CC1(CCCC1)OCC(=O)c2ccccc2 7a_100000751722_100000211460 [0,1,0,1,0,0|2,0,0]=4 22222 B17R2.295596 O=C(NCC1(CCCC1)O)c2ccccc2 11a_100000737848_100000185807 [0,1,0,1,0,0|1,0,0]=3 22223 B17R2.295596 O=C(NCC1(CCCC1)O)c2ccccc2 1626a_100000737848_100000185807 [0,1,0,1,0,0|1,0,0]=3 22224 B17R2.295596 O=C(NCC1(CCCC1)O)c2ccccc2 240690a_100000737848_100000185807 [0,1,0,1,0,0|1,0,0]=3 22225 B17R2.295596 O=C(NCC1(CCCC1)O)c2ccccc2 527a_100000737848_100000185807 [0,1,0,1,0,0|1,0,0]=3 22226 B17R2.440091 CCCCC(C)COC1Cc2c1cccc2 7a_100011995851_100009813401 [0,1,0,1,0,0|1,0,1]=4 22227 B17R2.1797 CCC1CN(CCO1)C(=O)c2ccccc2 11a_100000736320_100000185807 [0,1,0,1,0,0|2,0,0]=4 22228 B17R2.1797 CCC1CN(CCO1)C(=O)c2ccccc2 1626a_100000736320_100000185807 [0,1,0,1,0,0|2,0,0]=4 22229 B17R2.1797 CCC1CN(CCO1)C(=O)c2ccccc2 240690a_100000736320_100000185807 [0,1,0,1,0,0|2,0,0]=4 22230 B17R2.1797 CCC1CN(CCO1)C(=O)c2ccccc2 527a_100000736320_100000185807 [0,1,0,1,0,0|2,0,0]=4 22231 B17R2.1797 CNC1CCCN(C1)C(=O)c2ccccc2 2230a_200000748992_200000210301 [0,1,0,1,0,0|2,0,0]=4 22232 B17R2.1797 COC1CCCN(C1)C(=O)c2ccccc2 11a_100000695604_100000185807 [0,1,0,1,0,0|2,0,0]=4 22233 B17R2.1797 COC1CCCN(C1)C(=O)c2ccccc2 1626a_100000695604_100000185807 [0,1,0,1,0,0|2,0,0]=4 22234 B17R2.1797 COC1CCCN(C1)C(=O)c2ccccc2 240690a_100000695604_100000185807 [0,1,0,1,0,0|2,0,0]=4 22235 B17R2.1797 COC1CCCN(C1)C(=O)c2ccccc2 527a_100000695604_100000185807 [0,1,0,1,0,0|2,0,0]=4 22236 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CF 11a_100016992999_100000185807 [0,1,0,1,0,0|2,0,0]=4 22237 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CF 1626a_100016992999_100000185807 [0,1,0,1,0,0|2,0,0]=4 22238 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CF 240690a_100016992999_100000185807 [0,1,0,1,0,0|2,0,0]=4 22239 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CF 527a_100016992999_100000185807 [0,1,0,1,0,0|2,0,0]=4 22240 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CO 240690a_100000211344_100000185807 [0,1,0,1,0,0|2,0,0]=4 22241 B17R2.1797 O=C(c1ccccc1)N2CCCC(C2)CO 527a_100000211344_100000185807 [0,1,0,1,0,0|2,0,0]=4 22242 B17R2.1797 [13CH3]NC1CCCN(C1)C(=O)c2ccccc2 2230a_200000748992_200025704644 [0,1,0,1,0,0|2,0,0]=4 22243 B17R2.3299 CCCCCSC1Cc2ccccc2C1=O 62a_100000210326_100011218503 [0,1,0,1,0,0|2,0,0]=4 22244 B17R2.3299 CCCCCSC1Cc2ccccc2C1=O 62a_100011218503_100000210326 [0,1,0,1,0,0|2,0,0]=4 22245 B17R2.3517 CC(C(=O)c1ccccc1)N2CCC[C@@H]2C 2230a_100020605311_100000239700 [0,1,0,1,0,0|2,0,0]=4 22246 B17R2.3517 CC(C(=O)c1ccccc1)N2CCC[C@@H]2C 269982a_100020605311_100000239700 [0,1,0,1,0,0|2,0,0]=4 22247 B17R2.3517 CC(C(=O)c1ccccc1)N2CCC[C@H]2C 2230a_100015189458_100000239700 [0,1,0,1,0,0|2,0,0]=4 22248 B17R2.3517 CC(C(=O)c1ccccc1)N2CCC[C@H]2C 269982a_100015189458_100000239700 [0,1,0,1,0,0|2,0,0]=4 22249 B17R2.3863 CC(OCC1CC1C)C(=O)c2ccccc2 7a_100000744939_100000239700 [0,1,0,1,0,0|2,0,0]=4 22250 B17R2.4553 CCO[C@H]1CCN(C1)C(=O)c2ccccc2 11a_100011787710_100000185807 [0,1,0,1,0,0|2,0,0]=4 22251 B17R2.4553 CCO[C@H]1CCN(C1)C(=O)c2ccccc2 1626a_100011787710_100000185807 [0,1,0,1,0,0|2,0,0]=4 22252 B17R2.4553 CCO[C@H]1CCN(C1)C(=O)c2ccccc2 240690a_100011787710_100000185807 [0,1,0,1,0,0|2,0,0]=4 22253 B17R2.4553 CCO[C@H]1CCN(C1)C(=O)c2ccccc2 527a_100011787710_100000185807 [0,1,0,1,0,0|2,0,0]=4 22254 B17R2.4553 COCC1CCN(C1)C(=O)c2ccccc2 11a_100025706693_100000185807 [0,1,0,1,0,0|2,0,0]=4 22255 B17R2.4553 COCC1CCN(C1)C(=O)c2ccccc2 1626a_100025706693_100000185807 [0,1,0,1,0,0|2,0,0]=4 22256 B17R2.4553 COCC1CCN(C1)C(=O)c2ccccc2 240690a_100025706693_100000185807 [0,1,0,1,0,0|2,0,0]=4 22257 B17R2.4553 COCC1CCN(C1)C(=O)c2ccccc2 527a_100025706693_100000185807 [0,1,0,1,0,0|2,0,0]=4 22258 B17R2.4553 O=C(c1ccccc1)N2CCC(C2)CCO 240690a_100016987287_100000185807 [0,1,0,1,0,0|2,0,0]=4 22259 B17R2.4553 O=C(c1ccccc1)N2CCC(C2)CCO 527a_100016987287_100000185807 [0,1,0,1,0,0|2,0,0]=4 22260 B17R2.5724 C=C(C(=O)CC1CCCC1)c2ccccc2 1458a_100000065200_100000740388 [0,1,0,1,0,0|2,0,0]=4 22261 B17R2.5724 CC(NC1CCCC1)C(=O)c2ccccc2 2230a_100000211070_100000239700 [0,1,0,1,0,0|2,0,0]=4 22262 B17R2.5724 CC(OC1CCCC1)C(=O)c2ccccc2 7a_100000210269_100000239700 [0,1,0,1,0,0|2,0,0]=4 22263 B17R2.5724 CC(SC1CCCC1)C(=O)c2ccccc2 62a_100000239700_100000179811 [0,1,0,1,0,0|2,0,0]=4 22264 B17R2.5724 CC(SC1CCCC1)C(=O)c2ccccc2 62a_100011217020_100000239700 [0,1,0,1,0,0|2,0,0]=4 22265 B17R2.5724 CN(CC1CCCO1)C(=O)c2ccccc2 11a_100102946541_100000185807 [0,1,0,1,0,0|2,0,0]=4 22266 B17R2.5724 CN(CC1CCCO1)C(=O)c2ccccc2 1626a_100102946541_100000185807 [0,1,0,1,0,0|2,0,0]=4 22267 B17R2.5724 CN(CC1CCCO1)C(=O)c2ccccc2 240690a_100102946541_100000185807 [0,1,0,1,0,0|2,0,0]=4 22268 B17R2.5724 CN(CC1CCCO1)C(=O)c2ccccc2 527a_100102946541_100000185807 [0,1,0,1,0,0|2,0,0]=4 22269 B17R2.5724 CN(CC1CCOC1)C(=O)c2ccccc2 11a_100000684583_100000185807 [0,1,0,1,0,0|2,0,0]=4 22270 B17R2.5724 CN(CC1CCOC1)C(=O)c2ccccc2 1626a_100000684583_100000185807 [0,1,0,1,0,0|2,0,0]=4 22271 B17R2.5724 CN(CC1CCOC1)C(=O)c2ccccc2 240690a_100000684583_100000185807 [0,1,0,1,0,0|2,0,0]=4 22272 B17R2.5724 CN(CC1CCOC1)C(=O)c2ccccc2 527a_100000684583_100000185807 [0,1,0,1,0,0|2,0,0]=4 22273 B17R2.10205 C=C(C(=O)C1CCCCC1)c2ccccc2 1458a_100000065200_100000210327 [0,1,0,1,0,0|2,0,0]=4 22274 B17R2.10205 CN(C(=O)c1ccccc1)C2CCCCC2 11a_100000207522_100000185807 [0,1,0,1,0,0|1,0,0]=3 22275 B17R2.10205 CN(C(=O)c1ccccc1)C2CCCCC2 1626a_100000207522_100000185807 [0,1,0,1,0,0|1,0,0]=3 22276 B17R2.10205 CN(C(=O)c1ccccc1)C2CCCCC2 240690a_100000207522_100000185807 [0,1,0,1,0,0|1,0,0]=3 22277 B17R2.10205 CN(C(=O)c1ccccc1)C2CCCCC2 527a_100000207522_100000185807 [0,1,0,1,0,0|1,0,0]=3 22278 B17R2.10205 CN(C(=O)c1ccccc1)C2CCOCC2 11a_100020587155_100000185807 [0,1,0,1,0,0|2,0,0]=4 22279 B17R2.10205 CN(C(=O)c1ccccc1)C2CCOCC2 1626a_100020587155_100000185807 [0,1,0,1,0,0|2,0,0]=4 22280 B17R2.10205 CN(C(=O)c1ccccc1)C2CCOCC2 240690a_100020587155_100000185807 [0,1,0,1,0,0|2,0,0]=4 22281 B17R2.10205 CN(C(=O)c1ccccc1)C2CCOCC2 527a_100020587155_100000185807 [0,1,0,1,0,0|2,0,0]=4 22282 B17R2.10205 CN(C(=O)c1ccccc1)C2CCSCC2 11a_100015184757_100000185807 [0,1,0,1,0,0|2,0,0]=4 22283 B17R2.10205 CN(C(=O)c1ccccc1)C2CCSCC2 240690a_100015184757_100000185807 [0,1,0,1,0,0|2,0,0]=4 22284 B17R2.10205 CN(C(=O)c1ccccc1)C2CCSCC2 527a_100015184757_100000185807 [0,1,0,1,0,0|2,0,0]=4 22285 B17R2.45548 CC(NCC1CCC1)C(=O)c2ccccc2 2230a_100000738700_100000239700 [0,1,0,1,0,0|2,0,0]=4 22286 B17R2.45548 CC(SCC1CCC1)C(=O)c2ccccc2 62a_100000239700_100000763275 [0,1,0,1,0,0|2,0,0]=4 22287 B17R2.45548 CC(SCC1CCC1)C(=O)c2ccccc2 62a_100000763275_100000239700 [0,1,0,1,0,0|2,0,0]=4 22288 B17R2.45562 CC(OCCC1CC1)C(=O)c2ccccc2 7a_100000754188_100000239700 [0,1,0,1,0,0|2,0,0]=4 22289 B17R2.45562 CC(SCCC1CC1)C(=O)c2ccccc2 62a_100000239700_100000764125 [0,1,0,1,0,0|2,0,0]=4 22290 B17R2.45562 CC(SCCC1CC1)C(=O)c2ccccc2 62a_100000764125_100000239700 [0,1,0,1,0,0|2,0,0]=4 22291 B17R2.5362 C[C@H]1CN(CCN1C(=O)c2ccccc2)C 11a_100012002466_100000185807 [0,1,0,1,0,0|2,0,0]=4 22292 B17R2.5362 C[C@H]1CN(CCN1C(=O)c2ccccc2)C 240690a_100012002466_100000185807 [0,1,0,1,0,0|2,0,0]=4 22293 B17R2.5362 C[C@H]1CN(CCN1C(=O)c2ccccc2)C 527a_100012002466_100000185807 [0,1,0,1,0,0|2,0,0]=4 22294 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 11a_100025706717_100000185807 [0,1,0,1,0,0|1,0,0]=3 22295 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 1626a_100025706717_100000185807 [0,1,0,1,0,0|1,0,0]=3 22296 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 240690a_100025706717_100000185807 [0,1,0,1,0,0|1,0,0]=3 22297 B17R2.24146 CC1CCCN(CC1)C(=O)c2ccccc2 527a_100025706717_100000185807 [0,1,0,1,0,0|1,0,0]=3 22298 B17R2.24146 CN1CCCN(CC1)C(=O)c2ccccc2 240690a_100000211313_100000185807 [0,1,0,1,0,0|2,0,0]=4 22299 B17R2.24146 O=C(c1ccccc1)N2CCCC(CC2)O 240690a_100015186869_100000185807 [0,1,0,1,0,0|1,0,0]=3 22300 B17R2.24146 O=C(c1ccccc1)N2CCCC(CC2)O 527a_100015186869_100000185807 [0,1,0,1,0,0|1,0,0]=3 22301 B17R2.49523 CC(CCO)SC1OC(=O)c2c1cccc2 62a_100009893172_100009813457 [0,1,0,1,0,0|2,0,0]=4 22302 B17R2.49523 CCCC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210303 [0,1,0,1,0,0|1,0,1]=4 22303 B17R2.49523 CCCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210303 [0,1,0,1,0,0|0,0,1]=3 22304 B17R2.49523 CCCC(C)NC1CC(=O)c2c1cccc2 2230a_100000741246_100010208147 [0,1,0,1,0,0|2,0,0]=4 22305 B17R2.49523 CCCC(C)NC1OC(=O)c2c1cccc2 2230a_100000741246_100009813457 [0,1,0,1,0,0|1,0,0]=3 22306 B17R2.49523 CCCC(C)OC1CC(=O)c2c1cccc2 7a_100000764384_100010208147 [0,1,0,1,0,0|2,0,0]=4 22307 B17R2.49523 CCCC(C)SC1CC(=O)c2c1cccc2 62a_100000766640_100010208147 [0,1,0,1,0,0|2,0,0]=4 22308 B17R2.49523 CCCC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000766640 [0,1,0,1,0,0|2,0,0]=4 22309 B17R2.49523 CCCC(C)SC1OC(=O)c2c1cccc2 62a_100000766640_100009813457 [0,1,0,1,0,0|1,0,0]=3 22310 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 11a_100015525214_100000185305 [0,1,0,1,0,0|1,0,1]=4 22311 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 240690a_100015525214_100000185305 [0,1,0,1,0,0|1,0,1]=4 22312 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 527a_100015525214_100000185305 [0,1,0,1,0,0|1,0,1]=4 22313 B17R2.49523 COCC(C)SC1OC(=O)c2c1cccc2 62a_100000765312_100009813457 [0,1,0,1,0,0|2,0,0]=4 22314 B17R2.49523 COC[C@@H](C)NC1OC(=O)c2c1cccc2 2230a_100000764878_100009813457 [0,1,0,1,0,0|2,0,0]=4 22315 B17R2.49523 C[C@H](CCO)NC1OC(=O)c2c1cccc2 2230a_100000706166_100009813457 [0,1,0,1,0,0|2,0,0]=4 22316 B17R2.49523 O=C(CCF)CC1OC(=O)c2c1cccc2 1458a_100000185305_100011217306 [0,1,0,1,0,0|1,0,1]=4 22317 B17R2.49523 O=C(CCO)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000211926 [0,1,0,1,0,0|1,0,1]=4 22318 B17R2.295060 CC1(CCC1)CSCC(=O)c2ccccc2 62a_100000211460_100000726658 [0,1,0,1,0,0|2,0,0]=4 22319 B17R2.295060 CC1(CCC1)CSCC(=O)c2ccccc2 62a_100000726658_100000211460 [0,1,0,1,0,0|2,0,0]=4 22320 B17R2.295060 CC1(CCC1)NCCC(=O)c2ccccc2 2230a_100000692455_100000750707 [0,1,0,1,0,0|2,0,0]=4 22321 B17R2.295060 CC1(CCC1)OCCC(=O)c2ccccc2 7a_100000759064_100000750707 [0,1,0,1,0,0|2,0,0]=4 22322 B17R2.295060 CC1(CCC1)OCOC(=O)c2ccccc2 7a_100000759064_100000073877 [0,1,0,1,0,0|1,0,0]=3 22323 B17R2.295060 CC1(CSC1)OCOC(=O)c2ccccc2 7a_100016018533_100000073877 [0,1,0,1,0,0|2,0,0]=4 22324 B17R2.295162 CC(NCCC(=O)c1ccccc1)C2CC2 2230a_100000700016_100000750707 [0,1,0,1,0,0|2,0,0]=4 22325 B17R2.295162 CC(OCCC(=O)c1ccccc1)C2CC2 7a_100000744524_100000750707 [0,1,0,1,0,0|2,0,0]=4 22326 B17R2.295162 CC(OCOC(=O)c1ccccc1)C2CC2 7a_100000744524_100000073877 [0,1,0,1,0,0|1,0,0]=3 22327 B17R2.295162 CN(CCCC(=O)c1ccccc1)C2CC2 2230a_100000226674_100000211006 [0,1,0,1,0,0|2,0,0]=4 22328 B17R2.295162 CN(CCCC(=O)c1ccccc1)C2CC2 269982a_100000226674_100000211006 [0,1,0,1,0,0|2,0,0]=4 22329 B17R2.295162 CN(CCNC(=O)c1ccccc1)C2CC2 269982a_100000226674_200011215302 [0,1,0,1,0,0|2,0,0]=4 22330 B17R2.295162 CN(CCOC(=O)c1ccccc1)C2CC2 269982a_100000226674_100009812718 [0,1,0,1,0,0|1,0,0]=3 22331 B17R2.295162 O=C(CCCC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000211006 [0,1,0,1,0,0|1,0,1]=4 22332 B17R2.295162 O=C(NCCC(=O)C1CC1)c2ccccc2 1458a_100000210395_200011215302 [0,1,0,1,0,0|1,0,1]=4 22333 B17R2.295162 O=C(OCCC(=O)C1CC1)c2ccccc2 1458a_100000210395_100000184176 [0,1,0,1,0,0|0,0,1]=3 22334 B17R2.295162 O=C(OCCC(=O)C1CO1)c2ccccc2 1458a_100000701028_100000184176 [0,1,0,1,0,0|1,0,1]=4 22335 B17R2.324325 CCCC(C)CCOC1Cc2c1cccc2 7a_100011217855_100009813401 [0,1,0,1,0,0|1,0,1]=4 22336 B17R2.209 CC(O[C@H]1CC[C@H](CC1)N)c2ccccc2 34a_100020628982_100000211855 [0,1,0,1,0,0|1,0,1]=4 22337 B17R2.209 CC1CCC(CC1)OC(C)c2ccccc2 34a_100000210714_100000211855 [0,1,0,1,0,0|1,0,1]=4 22338 B17R2.209 CC1CCC(CC1)OC(C)c2ccccc2 7a_100000210714_100000230085 [0,1,0,1,0,0|1,0,1]=4 22339 B17R2.209 CC1CCC(CC1)O[C@H](C)c2ccccc2 34a_100000761318_200011216234 [0,1,0,1,0,0|1,0,1]=4 22340 B17R2.209 CC1CCN(CC1)CC(=O)c2ccccc2 269982a_100000188429_100000211460 [0,1,0,1,0,0|2,0,0]=4 22341 B17R2.209 CN1CCC(CC1)NC(=O)c2ccccc2 11a_100000198570_100000185807 [0,1,0,1,0,0|2,0,0]=4 22342 B17R2.209 CN1CCC(CC1)NC(=O)c2ccccc2 2230a_100000239697_200000210301 [0,1,0,1,0,0|2,0,0]=4 22343 B17R2.209 CN1CCC(CC1)NC(=O)c2ccccc2 240690a_100000198570_100000185807 [0,1,0,1,0,0|2,0,0]=4 22344 B17R2.209 CN1CCC(CC1)NC(=O)c2ccccc2 269982a_100000239697_200000210301 [0,1,0,1,0,0|2,0,0]=4 22345 B17R2.209 CN1CCC(CC1)NC(=O)c2ccccc2 527a_100000198570_100000185807 [0,1,0,1,0,0|2,0,0]=4 22346 B17R2.209 C[C@H]1CC[C@@H](CC1)NC(=O)c2ccccc2 1626a_100020625639_100000185807 [0,1,0,1,0,0|1,0,0]=3 22347 B17R2.209 C[C@H]1CC[C@@H](CC1)NC(=O)c2ccccc2 240690a_100020625639_100000185807 [0,1,0,1,0,0|1,0,0]=3 22348 B17R2.209 C[C@H]1CC[C@@H](CC1)NC(=O)c2ccccc2 527a_100020625639_100000185807 [0,1,0,1,0,0|1,0,0]=3 22349 B17R2.209 O=C(CN1CCC(CC1)F)c2ccccc2 269982a_100015193889_100000211460 [0,1,0,1,0,0|2,0,0]=4 22350 B17R2.209 O=C(CN1CCC(CC1)O)c2ccccc2 269982a_100025773856_100000211460 [0,1,0,1,0,0|2,0,0]=4 22351 B17R2.209 O=C(N[C@H]1CC[C@H](CC1)O)c2ccccc2 1626a_100020628982_100000185807 [0,1,0,1,0,0|1,0,0]=3 22352 B17R2.209 O=C(N[C@H]1CC[C@H](CC1)O)c2ccccc2 240690a_100020628982_100000185807 [0,1,0,1,0,0|1,0,0]=3 22353 B17R2.209 [13CH3]N1CCC(CC1)NC(=O)c2ccccc2 2230a_100000239697_200025704644 [0,1,0,1,0,0|2,0,0]=4 22354 B17R2.209 [13CH3]N1CCC(CC1)NC(=O)c2ccccc2 269982a_100000239697_200025704644 [0,1,0,1,0,0|2,0,0]=4 22355 B17R2.5079 C[C@H]1[C@H](CN1CCC(=O)c2ccccc2)O 2230a_206633788156_100000750707 [0,1,0,1,0,0|2,0,0]=4 22356 B17R2.5079 C[C@H]1[C@H](CN1CCC(=O)c2ccccc2)O 269982a_206633788156_100000750707 [0,1,0,1,0,0|2,0,0]=4 22357 B17R2.5079 C[C@H]1[C@H](CN1COC(=O)c2ccccc2)O 269982a_206633788156_100000073877 [0,1,0,1,0,0|1,0,0]=3 22358 B17R2.12736 C[C@]1(CCCN1C(=O)c2ccccc2)CO 240690a_100016195882_100000185807 [0,1,0,1,0,0|2,0,0]=4 22359 B17R2.87547 CCC(=O)CSC1OC(=O)c2c1cccc2 62a_100000747405_100009813457 [0,1,0,1,0,0|1,0,1]=4 22360 B17R2.87547 CCC(C)CNC1CC(=O)c2c1cccc2 2230a_100020588543_100010208147 [0,1,0,1,0,0|2,0,0]=4 22361 B17R2.87547 CCC(C)CNC1OC(=O)c2c1cccc2 2230a_100020588543_100009813457 [0,1,0,1,0,0|1,0,0]=3 22362 B17R2.87547 CCC(C)CSC1CC(=O)c2c1cccc2 62a_100000748023_100010208147 [0,1,0,1,0,0|2,0,0]=4 22363 B17R2.87547 CCC(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000748023 [0,1,0,1,0,0|2,0,0]=4 22364 B17R2.87547 CCC(C)CSC1OC(=O)c2c1cccc2 62a_100000748023_100009813457 [0,1,0,1,0,0|1,0,0]=3 22365 B17R2.87547 CCC(O)CNC1CC(=O)c2c1cccc2 2230a_100011218483_100010208147 [0,1,0,1,0,0|2,0,0]=4 22366 B17R2.87547 CCC(O)CNC1OC(=O)c2c1cccc2 2230a_100011218483_100009813457 [0,1,0,1,0,0|1,0,0]=3 22367 B17R2.87547 CCC(O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011218378 [0,1,0,1,0,0|2,0,0]=4 22368 B17R2.87547 CCC(O)CSC1CC(=O)c2c1cccc2 62a_100011218378_100010208147 [0,1,0,1,0,0|2,0,0]=4 22369 B17R2.87547 CCC(O)CSC1OC(=O)c2c1cccc2 62a_100011218378_100009813457 [0,1,0,1,0,0|1,0,0]=3 22370 B17R2.87547 CC[C@H](C)COC1CC(=O)c2c1cccc2 7a_100009816381_100010208147 [0,1,0,1,0,0|2,0,0]=4 22371 B17R2.87547 CC[C@H](C)CSC1CC(=O)c2c1cccc2 62a_100009816398_100010208147 [0,1,0,1,0,0|2,0,0]=4 22372 B17R2.87547 CC[C@H](C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100009816398 [0,1,0,1,0,0|2,0,0]=4 22373 B17R2.87547 CC[C@H](C)CSC1OC(=O)c2c1cccc2 62a_100009816398_100009813457 [0,1,0,1,0,0|1,0,0]=3 22374 B17R2.87547 CO[C@H](C)CNC1OC(=O)c2c1cccc2 2230a_100020591295_100009813457 [0,1,0,1,0,0|2,0,0]=4 22375 B17R2.87547 C[C@@H](CO)CSC1OC(=O)c2c1cccc2 62a_100000059175_100009813457 [0,1,0,1,0,0|2,0,0]=4 22376 B17R2.87547 O=C1OC(c2c1cccc2)NC[C@H](O)CO 2230a_100020644852_100009813457 [0,1,0,1,0,0|2,0,0]=4 22377 B17R2.87547 O=C1OC(c2c1cccc2)SCC(O)CO 62a_100011219619_100009813457 [0,1,0,1,0,0|2,0,0]=4 22378 B17R2.87547 O=C1OC(c2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100009813457 [0,1,0,1,0,0|2,0,0]=4 22379 B17R2.87547 O=C1OC(c2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100009813457 [0,1,0,1,0,0|2,0,0]=4 22380 B17R2.294952 CC1(CC1)CNCCC(=O)c2ccccc2 2230a_100000766693_100000750707 [0,1,0,1,0,0|2,0,0]=4 22381 B17R2.294952 CC1(CC1)COCCC(=O)c2ccccc2 7a_100000698024_100000750707 [0,1,0,1,0,0|2,0,0]=4 22382 B17R2.294952 CC1(CC1)COCOC(=O)c2ccccc2 7a_100000698024_100000073877 [0,1,0,1,0,0|1,0,0]=3 22383 B17R2.294952 CC1(CC1)NCCCC(=O)c2ccccc2 2230a_100000757604_100000211006 [0,1,0,1,0,0|2,0,0]=4 22384 B17R2.294952 CC1(CC1)OCCCC(=O)c2ccccc2 7a_100011725673_100000211006 [0,1,0,1,0,0|2,0,0]=4 22385 B17R2.294952 CC1(CC1)OCCNC(=O)c2ccccc2 7a_100011725673_200011215302 [0,1,0,1,0,0|2,0,0]=4 22386 B17R2.294952 CC1(CC1)OCCOC(=O)c2ccccc2 7a_100011725673_100000184176 [0,1,0,1,0,0|1,0,0]=3 22387 B17R2.294952 CC1(CO1)CSCOC(=O)c2ccccc2 62a_100000073877_100000760498 [0,1,0,1,0,0|2,0,0]=4 22388 B17R2.294952 CC1(CO1)CSCOC(=O)c2ccccc2 62a_100000760498_100000073877 [0,1,0,1,0,0|2,0,0]=4 22389 B17R2.294952 O=C(CCNCC1(CC1)O)c2ccccc2 2230a_100011936951_100000750707 [0,1,0,1,0,0|2,0,0]=4 22390 B17R2.294952 O=C(CCOCC1(CC1)F)c2ccccc2 7a_200000703853_100000750707 [0,1,0,1,0,0|2,0,0]=4 22391 B17R2.294952 O=C(OCOCC1(CC1)F)c2ccccc2 7a_200000703853_100000073877 [0,1,0,1,0,0|1,0,0]=3 22392 B17R2.375826 CCC(C)CCCOC1Cc2c1cccc2 7a_100011216074_100009813401 [0,1,0,1,0,0|1,0,1]=4 22393 B17R2.451963 CCC(C)OC1CCC(=O)c2c1cccc2 7a_100000100557_100000758301 [0,1,0,1,0,0|2,0,0]=4 22394 B17R2.2861 CCC1CCCN1S(=O)(=O)c2ccccc2 270084a_100000754278_100000210345 [0,1,0,1,0,0|2,0,0]=4 22395 B17R2.2861 CCC1CCCN1S(=O)(=O)c2ccccc2 274078a_100000754278_100000210345 [0,1,0,1,0,0|2,0,0]=4 22396 B17R2.2861 CCC1CCCN1S(=O)(=O)c2ccccc2 40a_100000754278_100000032697 [0,1,0,1,0,0|2,0,0]=4 22397 B17R2.3434 CC1CCCCN1S(=O)(=O)c2ccccc2 270084a_100000211376_100000210345 [0,1,0,1,0,0|2,0,0]=4 22398 B17R2.3434 CC1CCCCN1S(=O)(=O)c2ccccc2 274078a_100000211376_100000210345 [0,1,0,1,0,0|2,0,0]=4 22399 B17R2.3434 CC1CCCCN1S(=O)(=O)c2ccccc2 40a_100000211376_100000032697 [0,1,0,1,0,0|2,0,0]=4 22400 B17R2.3882 CC1CCCC1OC(F)(F)c2ccccc2 7a_100011216460_100000036403 [0,1,0,1,0,0|1,0,1]=4 22401 B17R2.20249 CC(C)(OC1CCCCC1)c2ccccc2 7a_100000694644_100000210327 [0,1,0,1,0,0|1,0,1]=4 22402 B17R2.20249 FC(F)(OC1CCCCC1)c2ccccc2 7a_100000210231_100000036403 [0,1,0,1,0,0|1,0,1]=4 22403 B17R2.20249 O=S(=O)(NC1CCCCC1)c2ccccc2 270084a_100000182618_100000210345 [0,1,0,1,0,0|2,0,0]=4 22404 B17R2.20249 O=S(=O)(NC1CCCCC1)c2ccccc2 274078a_100000182618_100000210345 [0,1,0,1,0,0|2,0,0]=4 22405 B17R2.20249 O=S(=O)(NC1CCCCC1)c2ccccc2 40a_100000182618_100000032697 [0,1,0,1,0,0|2,0,0]=4 22406 B17R2.20255 O=S(=O)(OCCNC1CC1)c2ccccc2 34a_100000212008_200000070464 [0,1,0,1,0,0|2,0,0]=4 22407 B17R2.20268 O=S(=O)(OCCN1CCC1)c2ccccc2 269982a_100000754969_200000070464 [0,1,0,1,0,0|2,0,0]=4 22408 B17R2.154265 O=S(=O)(c1ccccc1)N2CCCCCC2 270084a_100000185865_100000210345 [0,1,0,1,0,0|2,0,0]=4 22409 B17R2.154265 O=S(=O)(c1ccccc1)N2CCCCCC2 274078a_100000185865_100000210345 [0,1,0,1,0,0|2,0,0]=4 22410 B17R2.154265 O=S(=O)(c1ccccc1)N2CCCCCC2 40a_100000185865_100000032697 [0,1,0,1,0,0|2,0,0]=4 22411 B17R2.154272 CC(C)(OCC1CCCC1)c2ccccc2 7a_100000694644_100000740388 [0,1,0,1,0,0|1,0,1]=4 22412 B17R2.154272 FC(F)(OCC1CCCC1)c2ccccc2 7a_100000742336_100000036403 [0,1,0,1,0,0|1,0,1]=4 22413 B17R2.154272 O=S(=O)(NCC1CCCC1)c2ccccc2 270084a_100000737975_100000210345 [0,1,0,1,0,0|2,0,0]=4 22414 B17R2.154272 O=S(=O)(NCC1CCCC1)c2ccccc2 274078a_100000737975_100000210345 [0,1,0,1,0,0|2,0,0]=4 22415 B17R2.154272 O=S(=O)(NCC1CCCC1)c2ccccc2 40a_100000737975_100000032697 [0,1,0,1,0,0|2,0,0]=4 22416 B17R2.3950 CC(OCC1CCCC1)c2ccccc2Br 34a_100000702211_100000740388 [0,1,0,1,0,0|1,0,1]=4 22417 B17R2.3950 CC(OCC1CCCC1)c2ccccc2Br 7a_100000702211_100000740388 [0,1,0,1,0,0|1,0,1]=4 22418 B17R2.3950 CC(OCC1CCCC1)c2ccccc2Cl 34a_100000740796_100000740388 [0,1,0,1,0,0|1,0,1]=4 22419 B17R2.3950 CC(OCC1CCCC1)c2ccccc2Cl 7a_100000740796_100000740388 [0,1,0,1,0,0|1,0,1]=4 22420 B17R2.3950 CC(OCC1CCCC1)c2ccccc2Cl 7a_100000742336_100000181259 [0,1,0,1,0,0|1,0,1]=4 22421 B17R2.3950 CC(OCC1CCCC1)c2ccccc2F 34a_100000697922_100000740388 [0,1,0,1,0,0|1,0,1]=4 22422 B17R2.3950 CC(OCC1CCCC1)c2ccccc2F 34a_100000742336_200000741388 [0,1,0,1,0,0|1,0,1]=4 22423 B17R2.3950 CC(OCC1CCCC1)c2ccccc2F 7a_100000697922_100000740388 [0,1,0,1,0,0|1,0,1]=4 22424 B17R2.3950 CC(OCC1CCCC1)c2ccccc2F 7a_100000742336_200000741388 [0,1,0,1,0,0|1,0,1]=4 22425 B17R2.3950 CC(OCC1CCCC1)c2ccccc2N 7a_100011405641_100000740388 [0,1,0,1,0,0|1,0,1]=4 22426 B17R2.3950 Cc1ccccc1C(=O)CCC2CCCC2 1458a_100000212026_100000760354 [0,1,0,1,0,0|1,0,0]=3 22427 B17R2.3950 Cc1ccccc1C(=O)CCN2CCCC2 1458a_100000212026_100000004467 [0,1,0,1,0,0|2,0,0]=4 22428 B17R2.3950 Cc1ccccc1C(=O)CNC2CCCC2 2230a_100000211070_100000741374 [0,1,0,1,0,0|2,0,0]=4 22429 B17R2.3950 Cc1ccccc1C(=O)CNC2CCCC2 34a_100000211070_100000741374 [0,1,0,1,0,0|2,0,0]=4 22430 B17R2.3950 Cc1ccccc1C(=O)COC2CCCC2 34a_100000210269_100000741374 [0,1,0,1,0,0|2,0,0]=4 22431 B17R2.3950 Cc1ccccc1C(=O)COC2CCCC2 7a_100000210269_100000741374 [0,1,0,1,0,0|2,0,0]=4 22432 B17R2.3950 Cc1ccccc1C(=O)CSC2CCCC2 62a_100000741374_100000179811 [0,1,0,1,0,0|2,0,0]=4 22433 B17R2.3950 Cc1ccccc1C(=O)CSC2CCCC2 62a_100011217020_100000741374 [0,1,0,1,0,0|2,0,0]=4 22434 B17R2.3950 Cc1ccccc1C(=O)NCC2CCCC2 11a_100000737975_100000212026 [0,1,0,1,0,0|1,0,0]=3 22435 B17R2.3950 Cc1ccccc1C(=O)NCC2CCCC2 1626a_100000737975_100000212026 [0,1,0,1,0,0|1,0,0]=3 22436 B17R2.3950 Cc1ccccc1C(=O)NCC2CCCC2 240690a_100000737975_100000212026 [0,1,0,1,0,0|1,0,0]=3 22437 B17R2.3950 Cc1ccccc1C(=O)NCC2CCCC2 527a_100000737975_100000212026 [0,1,0,1,0,0|1,0,0]=3 22438 B17R2.3950 Cc1ccccc1C(=O)NCC2CCOC2 11a_100000737293_100000212026 [0,1,0,1,0,0|2,0,0]=4 22439 B17R2.3950 Cc1ccccc1C(=O)NCC2CCOC2 1626a_100000737293_100000212026 [0,1,0,1,0,0|2,0,0]=4 22440 B17R2.3950 Cc1ccccc1C(=O)NCC2CCOC2 240690a_100000737293_100000212026 [0,1,0,1,0,0|2,0,0]=4 22441 B17R2.3950 Cc1ccccc1C(=O)NCC2CCOC2 527a_100000737293_100000212026 [0,1,0,1,0,0|2,0,0]=4 22442 B17R2.3950 Cc1ccccc1C(=O)NC[C@@H]2CCCO2 11a_100020590478_100000212026 [0,1,0,1,0,0|2,0,0]=4 22443 B17R2.3950 Cc1ccccc1C(=O)NC[C@@H]2CCCO2 1626a_100020590478_100000212026 [0,1,0,1,0,0|2,0,0]=4 22444 B17R2.3950 Cc1ccccc1C(=O)NC[C@@H]2CCCO2 240690a_100020590478_100000212026 [0,1,0,1,0,0|2,0,0]=4 22445 B17R2.3950 Cc1ccccc1C(=O)NC[C@@H]2CCCO2 527a_100020590478_100000212026 [0,1,0,1,0,0|2,0,0]=4 22446 B17R2.3950 Cc1ccccc1C(=O)NNC2CCCC2 22a_100000737850_100000212026 [0,1,0,1,0,0|2,0,0]=4 22447 B17R2.3950 Cc1ccccc1C(C)OCC2CCCC2 34a_100000742021_100000740388 [0,1,0,1,0,0|1,0,1]=4 22448 B17R2.3950 Cc1ccccc1C(C)OCC2CCCC2 7a_100000742021_100000740388 [0,1,0,1,0,0|1,0,1]=4 22449 B17R2.3950 O=C(CCC1CCCC1)c2ccccc2Br 1458a_100000188424_100000760354 [0,1,0,1,0,0|1,0,0]=3 22450 B17R2.3950 O=C(CCC1CCCC1)c2ccccc2Cl 1458a_100000185844_100000760354 [0,1,0,1,0,0|1,0,0]=3 22451 B17R2.3950 O=C(CCC1CCCC1)c2ccccc2F 1458a_100000188656_100000760354 [0,1,0,1,0,0|1,0,0]=3 22452 B17R2.3950 O=C(CCC1CCCC1)c2ccccc2I 1458a_100000187884_100000760354 [0,1,0,1,0,0|1,0,0]=3 22453 B17R2.3950 O=C(CCC1CCCC1)c2ccccc2O 1458a_100015234032_100000760354 [0,1,0,1,0,0|1,0,0]=3 22454 B17R2.3950 O=C(CCC1CCCC1)c2ccccc2[O-] 1458a_100009911694_100000760354 [0,1,0,1,0,0|1,0,0]=3 22455 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2Br 1458a_100000188424_100000004467 [0,1,0,1,0,0|2,0,0]=4 22456 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2Cl 1458a_100000185844_100000004467 [0,1,0,1,0,0|2,0,0]=4 22457 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2F 1458a_100000188656_100000004467 [0,1,0,1,0,0|2,0,0]=4 22458 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2F 2230a_100000188435_100000086012 [0,1,0,1,0,0|2,0,0]=4 22459 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2F 269982a_100000188435_100000086012 [0,1,0,1,0,0|2,0,0]=4 22460 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2I 1458a_100000187884_100000004467 [0,1,0,1,0,0|2,0,0]=4 22461 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2O 1458a_100015234032_100000004467 [0,1,0,1,0,0|2,0,0]=4 22462 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2O 269982a_100000188435_100009873196 [0,1,0,1,0,0|2,0,0]=4 22463 B17R2.3950 O=C(CCN1CCCC1)c2ccccc2[O-] 1458a_100009911694_100000004467 [0,1,0,1,0,0|2,0,0]=4 22464 B17R2.3950 O=C(CNC1CCCC1)c2ccccc2Br 34a_100000211070_100000199116 [0,1,0,1,0,0|2,0,0]=4 22465 B17R2.3950 O=C(CNC1CCCC1)c2ccccc2Cl 34a_100000211070_100000211432 [0,1,0,1,0,0|2,0,0]=4 22466 B17R2.3950 O=C(CNC1CCCC1)c2ccccc2F 34a_100000211070_100000204681 [0,1,0,1,0,0|2,0,0]=4 22467 B17R2.3950 O=C(COC1CCCC1)c2ccccc2Br 34a_100000210269_100000199116 [0,1,0,1,0,0|2,0,0]=4 22468 B17R2.3950 O=C(COC1CCCC1)c2ccccc2Cl 34a_100000210269_100000211432 [0,1,0,1,0,0|2,0,0]=4 22469 B17R2.3950 O=C(COC1CCCC1)c2ccccc2F 34a_100000210269_100000204681 [0,1,0,1,0,0|2,0,0]=4 22470 B17R2.3950 O=C(COC1CCCC1)c2ccccc2F 7a_100000210269_100000204681 [0,1,0,1,0,0|2,0,0]=4 22471 B17R2.3950 O=C(COC1CCCC1)c2ccccc2O 7a_100000210269_100000188908 [0,1,0,1,0,0|2,0,0]=4 22472 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2Br 62a_100000199116_100000179811 [0,1,0,1,0,0|2,0,0]=4 22473 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2Cl 62a_100000211432_100000179811 [0,1,0,1,0,0|2,0,0]=4 22474 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2Cl 62a_100011217020_100000211432 [0,1,0,1,0,0|2,0,0]=4 22475 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2F 62a_100000204681_100000179811 [0,1,0,1,0,0|2,0,0]=4 22476 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2F 62a_100011217020_100000204681 [0,1,0,1,0,0|2,0,0]=4 22477 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2O 62a_100000188908_100000179811 [0,1,0,1,0,0|2,0,0]=4 22478 B17R2.3950 O=C(CSC1CCCC1)c2ccccc2O 62a_100011217020_100000188908 [0,1,0,1,0,0|2,0,0]=4 22479 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Br 11a_100000737975_100000188424 [0,1,0,1,0,0|1,0,0]=3 22480 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Br 1626a_100000737975_100000188424 [0,1,0,1,0,0|1,0,0]=3 22481 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Br 240690a_100000737975_100000188424 [0,1,0,1,0,0|1,0,0]=3 22482 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Br 527a_100000737975_100000188424 [0,1,0,1,0,0|1,0,0]=3 22483 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Cl 11a_100000737975_100000185844 [0,1,0,1,0,0|1,0,0]=3 22484 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Cl 1626a_100000737975_100000185844 [0,1,0,1,0,0|1,0,0]=3 22485 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Cl 240690a_100000737975_100000185844 [0,1,0,1,0,0|1,0,0]=3 22486 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2Cl 527a_100000737975_100000185844 [0,1,0,1,0,0|1,0,0]=3 22487 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2F 11a_100000737975_100000188656 [0,1,0,1,0,0|1,0,0]=3 22488 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2F 1626a_100000737975_100000188656 [0,1,0,1,0,0|1,0,0]=3 22489 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2F 240690a_100000737975_100000188656 [0,1,0,1,0,0|1,0,0]=3 22490 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2F 527a_100000737975_100000188656 [0,1,0,1,0,0|1,0,0]=3 22491 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2I 11a_100000737975_100000187884 [0,1,0,1,0,0|1,0,0]=3 22492 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2I 1626a_100000737975_100000187884 [0,1,0,1,0,0|1,0,0]=3 22493 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2I 240690a_100000737975_100000187884 [0,1,0,1,0,0|1,0,0]=3 22494 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2I 527a_100000737975_100000187884 [0,1,0,1,0,0|1,0,0]=3 22495 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2O 240690a_100000737975_100015234032 [0,1,0,1,0,0|1,0,0]=3 22496 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2[O-] 1626a_100000737975_100009911694 [0,1,0,1,0,0|1,0,0]=3 22497 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2[O-] 240690a_100000737975_100009911694 [0,1,0,1,0,0|1,0,0]=3 22498 B17R2.3950 O=C(NCC1CCCC1)c2ccccc2[O-] 527a_100000737975_100009911694 [0,1,0,1,0,0|1,0,0]=3 22499 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Br 11a_100000737293_100000188424 [0,1,0,1,0,0|2,0,0]=4 22500 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Br 1626a_100000737293_100000188424 [0,1,0,1,0,0|2,0,0]=4 22501 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Br 240690a_100000737293_100000188424 [0,1,0,1,0,0|2,0,0]=4 22502 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Br 527a_100000737293_100000188424 [0,1,0,1,0,0|2,0,0]=4 22503 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Cl 11a_100000737293_100000185844 [0,1,0,1,0,0|2,0,0]=4 22504 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Cl 1626a_100000737293_100000185844 [0,1,0,1,0,0|2,0,0]=4 22505 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Cl 240690a_100000737293_100000185844 [0,1,0,1,0,0|2,0,0]=4 22506 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2Cl 527a_100000737293_100000185844 [0,1,0,1,0,0|2,0,0]=4 22507 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2F 11a_100000737293_100000188656 [0,1,0,1,0,0|2,0,0]=4 22508 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2F 1626a_100000737293_100000188656 [0,1,0,1,0,0|2,0,0]=4 22509 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2F 240690a_100000737293_100000188656 [0,1,0,1,0,0|2,0,0]=4 22510 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2F 527a_100000737293_100000188656 [0,1,0,1,0,0|2,0,0]=4 22511 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2I 11a_100000737293_100000187884 [0,1,0,1,0,0|2,0,0]=4 22512 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2I 1626a_100000737293_100000187884 [0,1,0,1,0,0|2,0,0]=4 22513 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2I 240690a_100000737293_100000187884 [0,1,0,1,0,0|2,0,0]=4 22514 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2I 527a_100000737293_100000187884 [0,1,0,1,0,0|2,0,0]=4 22515 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2O 240690a_100000737293_100015234032 [0,1,0,1,0,0|2,0,0]=4 22516 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2[O-] 1626a_100000737293_100009911694 [0,1,0,1,0,0|2,0,0]=4 22517 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2[O-] 240690a_100000737293_100009911694 [0,1,0,1,0,0|2,0,0]=4 22518 B17R2.3950 O=C(NCC1CCOC1)c2ccccc2[O-] 527a_100000737293_100009911694 [0,1,0,1,0,0|2,0,0]=4 22519 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Br 11a_100020590478_100000188424 [0,1,0,1,0,0|2,0,0]=4 22520 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Br 1626a_100020590478_100000188424 [0,1,0,1,0,0|2,0,0]=4 22521 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Br 240690a_100020590478_100000188424 [0,1,0,1,0,0|2,0,0]=4 22522 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Br 527a_100020590478_100000188424 [0,1,0,1,0,0|2,0,0]=4 22523 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Cl 11a_100020590478_100000185844 [0,1,0,1,0,0|2,0,0]=4 22524 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Cl 1626a_100020590478_100000185844 [0,1,0,1,0,0|2,0,0]=4 22525 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Cl 240690a_100020590478_100000185844 [0,1,0,1,0,0|2,0,0]=4 22526 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2Cl 527a_100020590478_100000185844 [0,1,0,1,0,0|2,0,0]=4 22527 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2F 11a_100020590478_100000188656 [0,1,0,1,0,0|2,0,0]=4 22528 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2F 1626a_100020590478_100000188656 [0,1,0,1,0,0|2,0,0]=4 22529 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2F 240690a_100020590478_100000188656 [0,1,0,1,0,0|2,0,0]=4 22530 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2F 527a_100020590478_100000188656 [0,1,0,1,0,0|2,0,0]=4 22531 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2I 11a_100020590478_100000187884 [0,1,0,1,0,0|2,0,0]=4 22532 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2I 1626a_100020590478_100000187884 [0,1,0,1,0,0|2,0,0]=4 22533 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2I 240690a_100020590478_100000187884 [0,1,0,1,0,0|2,0,0]=4 22534 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2I 527a_100020590478_100000187884 [0,1,0,1,0,0|2,0,0]=4 22535 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2O 240690a_100020590478_100015234032 [0,1,0,1,0,0|2,0,0]=4 22536 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2[O-] 1626a_100020590478_100009911694 [0,1,0,1,0,0|2,0,0]=4 22537 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2[O-] 240690a_100020590478_100009911694 [0,1,0,1,0,0|2,0,0]=4 22538 B17R2.3950 O=C(NC[C@@H]1CCCO1)c2ccccc2[O-] 527a_100020590478_100009911694 [0,1,0,1,0,0|2,0,0]=4 22539 B17R2.3950 O=C(NNC1CCCC1)c2ccccc2Br 22a_100000737850_100000188424 [0,1,0,1,0,0|2,0,0]=4 22540 B17R2.3950 O=C(NNC1CCCC1)c2ccccc2Cl 22a_100000737850_100000185844 [0,1,0,1,0,0|2,0,0]=4 22541 B17R2.3950 O=C(NNC1CCCC1)c2ccccc2F 22a_100000737850_100000188656 [0,1,0,1,0,0|2,0,0]=4 22542 B17R2.3950 O=C(NNC1CCCC1)c2ccccc2I 22a_100000737850_100000187884 [0,1,0,1,0,0|2,0,0]=4 22543 B17R2.3950 O=C(NNC1CCCC1)c2ccccc2O 22a_100000737850_100015234032 [0,1,0,1,0,0|2,0,0]=4 22544 B17R2.3950 O=C(NNC1CCCC1)c2ccccc2[O-] 22a_100000737850_100009911694 [0,1,0,1,0,0|2,0,0]=4 22545 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Br 11a_100000754278_100000188424 [0,1,0,1,0,0|1,0,0]=3 22546 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Br 1626a_100000754278_100000188424 [0,1,0,1,0,0|1,0,0]=3 22547 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Br 240690a_100000754278_100000188424 [0,1,0,1,0,0|1,0,0]=3 22548 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Br 527a_100000754278_100000188424 [0,1,0,1,0,0|1,0,0]=3 22549 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2C 11a_100000754278_100000212026 [0,1,0,1,0,0|1,0,0]=3 22550 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2C 1626a_100000754278_100000212026 [0,1,0,1,0,0|1,0,0]=3 22551 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2C 240690a_100000754278_100000212026 [0,1,0,1,0,0|1,0,0]=3 22552 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2C 527a_100000754278_100000212026 [0,1,0,1,0,0|1,0,0]=3 22553 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Cl 11a_100000754278_100000185844 [0,1,0,1,0,0|1,0,0]=3 22554 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Cl 1626a_100000754278_100000185844 [0,1,0,1,0,0|1,0,0]=3 22555 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Cl 240690a_100000754278_100000185844 [0,1,0,1,0,0|1,0,0]=3 22556 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2Cl 527a_100000754278_100000185844 [0,1,0,1,0,0|1,0,0]=3 22557 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2F 11a_100000754278_100000188656 [0,1,0,1,0,0|1,0,0]=3 22558 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2F 1626a_100000754278_100000188656 [0,1,0,1,0,0|1,0,0]=3 22559 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2F 240690a_100000754278_100000188656 [0,1,0,1,0,0|1,0,0]=3 22560 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2F 527a_100000754278_100000188656 [0,1,0,1,0,0|1,0,0]=3 22561 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2I 11a_100000754278_100000187884 [0,1,0,1,0,0|1,0,0]=3 22562 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2I 1626a_100000754278_100000187884 [0,1,0,1,0,0|1,0,0]=3 22563 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2I 240690a_100000754278_100000187884 [0,1,0,1,0,0|1,0,0]=3 22564 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2I 527a_100000754278_100000187884 [0,1,0,1,0,0|1,0,0]=3 22565 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2O 240690a_100000754278_100015234032 [0,1,0,1,0,0|1,0,0]=3 22566 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2[O-] 1626a_100000754278_100009911694 [0,1,0,1,0,0|1,0,0]=3 22567 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2[O-] 240690a_100000754278_100009911694 [0,1,0,1,0,0|1,0,0]=3 22568 B17R2.13374 CCC1CCCN1C(=O)c2ccccc2[O-] 527a_100000754278_100009911694 [0,1,0,1,0,0|1,0,0]=3 22569 B17R2.13374 Cc1ccccc1C(=O)N2CCC[C@@H]2CO 240690a_100000745186_100000212026 [0,1,0,1,0,0|2,0,0]=4 22570 B17R2.13374 Cc1ccccc1C(=O)N2CCC[C@@H]2CO 527a_100000745186_100000212026 [0,1,0,1,0,0|2,0,0]=4 22571 B17R2.13374 O=C(c1ccccc1Br)N2CCC[C@@H]2CO 240690a_100000745186_100000188424 [0,1,0,1,0,0|2,0,0]=4 22572 B17R2.13374 O=C(c1ccccc1Br)N2CCC[C@@H]2CO 527a_100000745186_100000188424 [0,1,0,1,0,0|2,0,0]=4 22573 B17R2.13374 O=C(c1ccccc1Cl)N2CCC[C@@H]2CO 240690a_100000745186_100000185844 [0,1,0,1,0,0|2,0,0]=4 22574 B17R2.13374 O=C(c1ccccc1Cl)N2CCC[C@@H]2CO 527a_100000745186_100000185844 [0,1,0,1,0,0|2,0,0]=4 22575 B17R2.13374 O=C(c1ccccc1F)N2CCC[C@@H]2CO 240690a_100000745186_100000188656 [0,1,0,1,0,0|2,0,0]=4 22576 B17R2.13374 O=C(c1ccccc1F)N2CCC[C@@H]2CO 527a_100000745186_100000188656 [0,1,0,1,0,0|2,0,0]=4 22577 B17R2.13374 O=C(c1ccccc1I)N2CCC[C@@H]2CO 240690a_100000745186_100000187884 [0,1,0,1,0,0|2,0,0]=4 22578 B17R2.13374 O=C(c1ccccc1I)N2CCC[C@@H]2CO 527a_100000745186_100000187884 [0,1,0,1,0,0|2,0,0]=4 22579 B17R2.13374 O=C(c1ccccc1O)N2CCC[C@@H]2CO 240690a_100000745186_100015234032 [0,1,0,1,0,0|2,0,0]=4 22580 B17R2.13374 O=C(c1ccccc1[O-])N2CCC[C@@H]2CO 240690a_100000745186_100009911694 [0,1,0,1,0,0|2,0,0]=4 22581 B17R2.13374 O=C(c1ccccc1[O-])N2CCC[C@@H]2CO 527a_100000745186_100009911694 [0,1,0,1,0,0|2,0,0]=4 22582 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Br 11a_100000211376_100000188424 [0,1,0,1,0,0|1,0,0]=3 22583 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Br 1626a_100000211376_100000188424 [0,1,0,1,0,0|1,0,0]=3 22584 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Br 240690a_100000211376_100000188424 [0,1,0,1,0,0|1,0,0]=3 22585 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Br 527a_100000211376_100000188424 [0,1,0,1,0,0|1,0,0]=3 22586 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Cl 11a_100000211376_100000185844 [0,1,0,1,0,0|1,0,0]=3 22587 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Cl 1626a_100000211376_100000185844 [0,1,0,1,0,0|1,0,0]=3 22588 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Cl 240690a_100000211376_100000185844 [0,1,0,1,0,0|1,0,0]=3 22589 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2Cl 527a_100000211376_100000185844 [0,1,0,1,0,0|1,0,0]=3 22590 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2F 11a_100000211376_100000188656 [0,1,0,1,0,0|1,0,0]=3 22591 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2F 1626a_100000211376_100000188656 [0,1,0,1,0,0|1,0,0]=3 22592 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2F 240690a_100000211376_100000188656 [0,1,0,1,0,0|1,0,0]=3 22593 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2F 527a_100000211376_100000188656 [0,1,0,1,0,0|1,0,0]=3 22594 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2I 11a_100000211376_100000187884 [0,1,0,1,0,0|1,0,0]=3 22595 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2I 1626a_100000211376_100000187884 [0,1,0,1,0,0|1,0,0]=3 22596 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2I 240690a_100000211376_100000187884 [0,1,0,1,0,0|1,0,0]=3 22597 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2I 527a_100000211376_100000187884 [0,1,0,1,0,0|1,0,0]=3 22598 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2O 240690a_100000211376_100015234032 [0,1,0,1,0,0|1,0,0]=3 22599 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2[O-] 1626a_100000211376_100009911694 [0,1,0,1,0,0|1,0,0]=3 22600 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2[O-] 240690a_100000211376_100009911694 [0,1,0,1,0,0|1,0,0]=3 22601 B17R2.20511 CC1CCCCN1C(=O)c2ccccc2[O-] 527a_100000211376_100009911694 [0,1,0,1,0,0|1,0,0]=3 22602 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Br 11a_100009815349_100000188424 [0,1,0,1,0,0|2,0,0]=4 22603 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Br 240690a_100009815349_100000188424 [0,1,0,1,0,0|2,0,0]=4 22604 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Br 527a_100009815349_100000188424 [0,1,0,1,0,0|2,0,0]=4 22605 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Cl 11a_100009815349_100000185844 [0,1,0,1,0,0|2,0,0]=4 22606 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Cl 240690a_100009815349_100000185844 [0,1,0,1,0,0|2,0,0]=4 22607 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2Cl 527a_100009815349_100000185844 [0,1,0,1,0,0|2,0,0]=4 22608 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2F 11a_100009815349_100000188656 [0,1,0,1,0,0|2,0,0]=4 22609 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2F 240690a_100009815349_100000188656 [0,1,0,1,0,0|2,0,0]=4 22610 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2F 527a_100009815349_100000188656 [0,1,0,1,0,0|2,0,0]=4 22611 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2I 11a_100009815349_100000187884 [0,1,0,1,0,0|2,0,0]=4 22612 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2I 240690a_100009815349_100000187884 [0,1,0,1,0,0|2,0,0]=4 22613 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2I 527a_100009815349_100000187884 [0,1,0,1,0,0|2,0,0]=4 22614 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2O 240690a_100009815349_100015234032 [0,1,0,1,0,0|2,0,0]=4 22615 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2[O-] 240690a_100009815349_100009911694 [0,1,0,1,0,0|2,0,0]=4 22616 B17R2.20511 C[C@H]1COCCN1C(=O)c2ccccc2[O-] 527a_100009815349_100009911694 [0,1,0,1,0,0|2,0,0]=4 22617 B17R2.20511 Cc1ccccc1C(=O)N2CCCCC2C 11a_100000211376_100000212026 [0,1,0,1,0,0|1,0,0]=3 22618 B17R2.20511 Cc1ccccc1C(=O)N2CCCCC2C 1626a_100000211376_100000212026 [0,1,0,1,0,0|1,0,0]=3 22619 B17R2.20511 Cc1ccccc1C(=O)N2CCCCC2C 240690a_100000211376_100000212026 [0,1,0,1,0,0|1,0,0]=3 22620 B17R2.20511 Cc1ccccc1C(=O)N2CCCCC2C 527a_100000211376_100000212026 [0,1,0,1,0,0|1,0,0]=3 22621 B17R2.20511 Cc1ccccc1C(=O)N2CCOC[C@@H]2C 11a_100009815349_100000212026 [0,1,0,1,0,0|2,0,0]=4 22622 B17R2.20511 Cc1ccccc1C(=O)N2CCOC[C@@H]2C 240690a_100009815349_100000212026 [0,1,0,1,0,0|2,0,0]=4 22623 B17R2.20511 Cc1ccccc1C(=O)N2CCOC[C@@H]2C 527a_100009815349_100000212026 [0,1,0,1,0,0|2,0,0]=4 22624 B17R2.24377 CC1CCN1CCC(=O)c2ccccc2F 269982a_100000755817_100000086012 [0,1,0,1,0,0|2,0,0]=4 22625 B17R2.24377 CC1CCN1CCC(=O)c2ccccc2O 269982a_100000755817_100009873196 [0,1,0,1,0,0|2,0,0]=4 22626 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Br 11a_100015195929_100000188424 [0,1,0,1,0,0|2,0,0]=4 22627 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Br 1626a_100015195929_100000188424 [0,1,0,1,0,0|2,0,0]=4 22628 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Br 240690a_100015195929_100000188424 [0,1,0,1,0,0|2,0,0]=4 22629 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Br 527a_100015195929_100000188424 [0,1,0,1,0,0|2,0,0]=4 22630 B17R2.28161 COCC1CCN1C(=O)c2ccccc2C 11a_100015195929_100000212026 [0,1,0,1,0,0|2,0,0]=4 22631 B17R2.28161 COCC1CCN1C(=O)c2ccccc2C 1626a_100015195929_100000212026 [0,1,0,1,0,0|2,0,0]=4 22632 B17R2.28161 COCC1CCN1C(=O)c2ccccc2C 240690a_100015195929_100000212026 [0,1,0,1,0,0|2,0,0]=4 22633 B17R2.28161 COCC1CCN1C(=O)c2ccccc2C 527a_100015195929_100000212026 [0,1,0,1,0,0|2,0,0]=4 22634 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Cl 11a_100015195929_100000185844 [0,1,0,1,0,0|2,0,0]=4 22635 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Cl 1626a_100015195929_100000185844 [0,1,0,1,0,0|2,0,0]=4 22636 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Cl 240690a_100015195929_100000185844 [0,1,0,1,0,0|2,0,0]=4 22637 B17R2.28161 COCC1CCN1C(=O)c2ccccc2Cl 527a_100015195929_100000185844 [0,1,0,1,0,0|2,0,0]=4 22638 B17R2.28161 COCC1CCN1C(=O)c2ccccc2F 11a_100015195929_100000188656 [0,1,0,1,0,0|2,0,0]=4 22639 B17R2.28161 COCC1CCN1C(=O)c2ccccc2F 1626a_100015195929_100000188656 [0,1,0,1,0,0|2,0,0]=4 22640 B17R2.28161 COCC1CCN1C(=O)c2ccccc2F 240690a_100015195929_100000188656 [0,1,0,1,0,0|2,0,0]=4 22641 B17R2.28161 COCC1CCN1C(=O)c2ccccc2F 527a_100015195929_100000188656 [0,1,0,1,0,0|2,0,0]=4 22642 B17R2.28161 COCC1CCN1C(=O)c2ccccc2I 11a_100015195929_100000187884 [0,1,0,1,0,0|2,0,0]=4 22643 B17R2.28161 COCC1CCN1C(=O)c2ccccc2I 1626a_100015195929_100000187884 [0,1,0,1,0,0|2,0,0]=4 22644 B17R2.28161 COCC1CCN1C(=O)c2ccccc2I 240690a_100015195929_100000187884 [0,1,0,1,0,0|2,0,0]=4 22645 B17R2.28161 COCC1CCN1C(=O)c2ccccc2I 527a_100015195929_100000187884 [0,1,0,1,0,0|2,0,0]=4 22646 B17R2.28161 COCC1CCN1C(=O)c2ccccc2O 240690a_100015195929_100015234032 [0,1,0,1,0,0|2,0,0]=4 22647 B17R2.28161 COCC1CCN1C(=O)c2ccccc2[O-] 1626a_100015195929_100009911694 [0,1,0,1,0,0|2,0,0]=4 22648 B17R2.28161 COCC1CCN1C(=O)c2ccccc2[O-] 240690a_100015195929_100009911694 [0,1,0,1,0,0|2,0,0]=4 22649 B17R2.28161 COCC1CCN1C(=O)c2ccccc2[O-] 527a_100015195929_100009911694 [0,1,0,1,0,0|2,0,0]=4 22650 B17R2.37118 CC(OC1CCCC1C)c2ccccc2Cl 7a_100011216460_100000181259 [0,1,0,1,0,0|1,0,1]=4 22651 B17R2.37118 CC(OC1CCCC1C)c2ccccc2F 34a_100011216460_200000741388 [0,1,0,1,0,0|1,0,1]=4 22652 B17R2.37118 CC(OC1CCCC1C)c2ccccc2F 7a_100011216460_200000741388 [0,1,0,1,0,0|1,0,1]=4 22653 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2Br 269982a_100015189458_100000199116 [0,1,0,1,0,0|2,0,0]=4 22654 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2Br 34a_100015189458_100000199116 [0,1,0,1,0,0|2,0,0]=4 22655 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2Cl 269982a_100015189458_100000211432 [0,1,0,1,0,0|2,0,0]=4 22656 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2Cl 34a_100015189458_100000211432 [0,1,0,1,0,0|2,0,0]=4 22657 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2F 269982a_100015189458_100000204681 [0,1,0,1,0,0|2,0,0]=4 22658 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2F 34a_100015189458_100000204681 [0,1,0,1,0,0|2,0,0]=4 22659 B17R2.37118 C[C@@H]1CCCN1CC(=O)c2ccccc2O 269982a_100015189458_100000188908 [0,1,0,1,0,0|2,0,0]=4 22660 B17R2.37118 C[C@H]1CCCN1CC(=O)c2ccccc2Br 269982a_100020605311_100000199116 [0,1,0,1,0,0|2,0,0]=4 22661 B17R2.37118 C[C@H]1CCCN1CC(=O)c2ccccc2Cl 269982a_100020605311_100000211432 [0,1,0,1,0,0|2,0,0]=4 22662 B17R2.37118 C[C@H]1CCCN1CC(=O)c2ccccc2F 269982a_100020605311_100000204681 [0,1,0,1,0,0|2,0,0]=4 22663 B17R2.37118 C[C@H]1CCCN1CC(=O)c2ccccc2O 269982a_100020605311_100000188908 [0,1,0,1,0,0|2,0,0]=4 22664 B17R2.37118 Cc1ccccc1C(=O)CN2CCC[C@@H]2C 2230a_100020605311_100000741374 [0,1,0,1,0,0|2,0,0]=4 22665 B17R2.37118 Cc1ccccc1C(=O)CN2CCC[C@@H]2C 269982a_100020605311_100000741374 [0,1,0,1,0,0|2,0,0]=4 22666 B17R2.37118 Cc1ccccc1C(=O)CN2CCC[C@H]2C 2230a_100015189458_100000741374 [0,1,0,1,0,0|2,0,0]=4 22667 B17R2.37118 Cc1ccccc1C(=O)CN2CCC[C@H]2C 269982a_100015189458_100000741374 [0,1,0,1,0,0|2,0,0]=4 22668 B17R2.37118 Cc1ccccc1C(=O)CN2CCC[C@H]2C 34a_100015189458_100000741374 [0,1,0,1,0,0|2,0,0]=4 22669 B17R2.37118 Cc1ccccc1C(=O)N[C@H]2CCC[C@@H]2O 11a_100000748460_100000212026 [0,1,0,1,0,0|2,0,0]=4 22670 B17R2.37118 Cc1ccccc1C(=O)N[C@H]2CCC[C@@H]2O 240690a_100000748460_100000212026 [0,1,0,1,0,0|2,0,0]=4 22671 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2Br 11a_100000748460_100000188424 [0,1,0,1,0,0|2,0,0]=4 22672 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2Br 240690a_100000748460_100000188424 [0,1,0,1,0,0|2,0,0]=4 22673 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2Cl 11a_100000748460_100000185844 [0,1,0,1,0,0|2,0,0]=4 22674 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2Cl 240690a_100000748460_100000185844 [0,1,0,1,0,0|2,0,0]=4 22675 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2F 11a_100000748460_100000188656 [0,1,0,1,0,0|2,0,0]=4 22676 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2F 240690a_100000748460_100000188656 [0,1,0,1,0,0|2,0,0]=4 22677 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2I 11a_100000748460_100000187884 [0,1,0,1,0,0|2,0,0]=4 22678 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2I 240690a_100000748460_100000187884 [0,1,0,1,0,0|2,0,0]=4 22679 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2O 240690a_100000748460_100015234032 [0,1,0,1,0,0|2,0,0]=4 22680 B17R2.37118 O=C(N[C@H]1CCC[C@@H]1O)c2ccccc2[O-] 240690a_100000748460_100009911694 [0,1,0,1,0,0|2,0,0]=4 22681 B17R2.37133 CC1CC1COCC(=O)c2ccccc2Br 34a_100000744939_100000199116 [0,1,0,1,0,0|2,0,0]=4 22682 B17R2.37133 CC1CC1COCC(=O)c2ccccc2Cl 34a_100000744939_100000211432 [0,1,0,1,0,0|2,0,0]=4 22683 B17R2.37133 CC1CC1COCC(=O)c2ccccc2F 34a_100000744939_100000204681 [0,1,0,1,0,0|2,0,0]=4 22684 B17R2.37133 CC1CC1COCC(=O)c2ccccc2F 7a_100000744939_100000204681 [0,1,0,1,0,0|2,0,0]=4 22685 B17R2.37133 CC1CC1COCC(=O)c2ccccc2O 7a_100000744939_100000188908 [0,1,0,1,0,0|2,0,0]=4 22686 B17R2.37133 Cc1ccccc1C(=O)COCC2CC2C 34a_100000744939_100000741374 [0,1,0,1,0,0|2,0,0]=4 22687 B17R2.37133 Cc1ccccc1C(=O)COCC2CC2C 7a_100000744939_100000741374 [0,1,0,1,0,0|2,0,0]=4 22688 B17R2.251941 Cc1ccccc1C(=O)CNCCC2CC2 34a_100000764129_100000741374 [0,1,0,1,0,0|2,0,0]=4 22689 B17R2.251941 Cc1ccccc1C(=O)COCCC2CC2 34a_100000754188_100000741374 [0,1,0,1,0,0|2,0,0]=4 22690 B17R2.251941 Cc1ccccc1C(=O)COCCC2CC2 7a_100000754188_100000741374 [0,1,0,1,0,0|2,0,0]=4 22691 B17R2.251941 Cc1ccccc1C(=O)CSCCC2CC2 62a_100000741374_100000764125 [0,1,0,1,0,0|2,0,0]=4 22692 B17R2.251941 Cc1ccccc1C(=O)CSCCC2CC2 62a_100000764125_100000741374 [0,1,0,1,0,0|2,0,0]=4 22693 B17R2.251941 O=C(CCNCC1CC1)c2ccccc2F 2230a_100000735609_100000086012 [0,1,0,1,0,0|2,0,0]=4 22694 B17R2.251941 O=C(CCSCC1CC1)c2ccccc2F 62a_100000086012_100000742324 [0,1,0,1,0,0|2,0,0]=4 22695 B17R2.251941 O=C(CCSCC1CC1)c2ccccc2F 62a_100000756562_100000086012 [0,1,0,1,0,0|2,0,0]=4 22696 B17R2.251941 O=C(CCSCC1CC1)c2ccccc2O 62a_100000756562_100009873196 [0,1,0,1,0,0|2,0,0]=4 22697 B17R2.251941 O=C(CNCCC1CC1)c2ccccc2Br 34a_100000764129_100000199116 [0,1,0,1,0,0|2,0,0]=4 22698 B17R2.251941 O=C(CNCCC1CC1)c2ccccc2Cl 34a_100000764129_100000211432 [0,1,0,1,0,0|2,0,0]=4 22699 B17R2.251941 O=C(CNCCC1CC1)c2ccccc2F 34a_100000764129_100000204681 [0,1,0,1,0,0|2,0,0]=4 22700 B17R2.251941 O=C(COCCC1CC1)c2ccccc2Br 34a_100000754188_100000199116 [0,1,0,1,0,0|2,0,0]=4 22701 B17R2.251941 O=C(COCCC1CC1)c2ccccc2Cl 34a_100000754188_100000211432 [0,1,0,1,0,0|2,0,0]=4 22702 B17R2.251941 O=C(COCCC1CC1)c2ccccc2F 34a_100000754188_100000204681 [0,1,0,1,0,0|2,0,0]=4 22703 B17R2.251941 O=C(COCCC1CC1)c2ccccc2F 7a_100000754188_100000204681 [0,1,0,1,0,0|2,0,0]=4 22704 B17R2.251941 O=C(COCCC1CC1)c2ccccc2O 7a_100000754188_100000188908 [0,1,0,1,0,0|2,0,0]=4 22705 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2Br 62a_100000199116_100000764125 [0,1,0,1,0,0|2,0,0]=4 22706 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2Cl 62a_100000211432_100000764125 [0,1,0,1,0,0|2,0,0]=4 22707 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2Cl 62a_100000764125_100000211432 [0,1,0,1,0,0|2,0,0]=4 22708 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2F 62a_100000204681_100000764125 [0,1,0,1,0,0|2,0,0]=4 22709 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2F 62a_100000764125_100000204681 [0,1,0,1,0,0|2,0,0]=4 22710 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2O 62a_100000188908_100000764125 [0,1,0,1,0,0|2,0,0]=4 22711 B17R2.251941 O=C(CSCCC1CC1)c2ccccc2O 62a_100000764125_100000188908 [0,1,0,1,0,0|2,0,0]=4 22712 B17R2.251941 O=C(NCCNC1CC1)c2ccccc2Cl 34a_100000737833_100000211595 [0,1,0,1,0,0|2,0,0]=4 22713 B17R2.251941 O=C(NCCOC1CC1)c2ccccc2Br 34a_200000158863_100000211595 [0,1,0,1,0,0|2,0,0]=4 22714 B17R2.251954 Cc1ccccc1C(=O)CNCC2CCC2 2230a_100000738700_100000741374 [0,1,0,1,0,0|2,0,0]=4 22715 B17R2.251954 Cc1ccccc1C(=O)CNCC2CCC2 34a_100000738700_100000741374 [0,1,0,1,0,0|2,0,0]=4 22716 B17R2.251954 Cc1ccccc1C(=O)COCC2CCC2 34a_100000760304_100000741374 [0,1,0,1,0,0|2,0,0]=4 22717 B17R2.251954 Cc1ccccc1C(=O)CSCC2CCC2 62a_100000741374_100000763275 [0,1,0,1,0,0|2,0,0]=4 22718 B17R2.251954 Cc1ccccc1C(=O)CSCC2CCC2 62a_100000763275_100000741374 [0,1,0,1,0,0|2,0,0]=4 22719 B17R2.251954 Cc1ccccc1C(=O)NCCN2CCC2 240690a_100000691440_100000212026 [0,1,0,1,0,0|2,0,0]=4 22720 B17R2.251954 Cc1ccccc1C(=O)NNCC2CCC2 22a_200020586977_100000212026 [0,1,0,1,0,0|2,0,0]=4 22721 B17R2.251954 O=C(CCNC1CCC1)c2ccccc2F 2230a_100000749019_100000086012 [0,1,0,1,0,0|2,0,0]=4 22722 B17R2.251954 O=C(CCSC1CCC1)c2ccccc2F 62a_100000086012_100000749161 [0,1,0,1,0,0|2,0,0]=4 22723 B17R2.251954 O=C(CNCC1CCC1)c2ccccc2Br 34a_100000738700_100000199116 [0,1,0,1,0,0|2,0,0]=4 22724 B17R2.251954 O=C(CNCC1CCC1)c2ccccc2Cl 34a_100000738700_100000211432 [0,1,0,1,0,0|2,0,0]=4 22725 B17R2.251954 O=C(CNCC1CCC1)c2ccccc2F 34a_100000738700_100000204681 [0,1,0,1,0,0|2,0,0]=4 22726 B17R2.251954 O=C(COCC1CCC1)c2ccccc2Br 34a_100000760304_100000199116 [0,1,0,1,0,0|2,0,0]=4 22727 B17R2.251954 O=C(COCC1CCC1)c2ccccc2Cl 34a_100000760304_100000211432 [0,1,0,1,0,0|2,0,0]=4 22728 B17R2.251954 O=C(COCC1CCC1)c2ccccc2F 34a_100000760304_100000204681 [0,1,0,1,0,0|2,0,0]=4 22729 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2Br 62a_100000199116_100000763275 [0,1,0,1,0,0|2,0,0]=4 22730 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2Cl 62a_100000211432_100000763275 [0,1,0,1,0,0|2,0,0]=4 22731 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2Cl 62a_100000763275_100000211432 [0,1,0,1,0,0|2,0,0]=4 22732 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2F 62a_100000204681_100000763275 [0,1,0,1,0,0|2,0,0]=4 22733 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2F 62a_100000763275_100000204681 [0,1,0,1,0,0|2,0,0]=4 22734 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2O 62a_100000188908_100000763275 [0,1,0,1,0,0|2,0,0]=4 22735 B17R2.251954 O=C(CSCC1CCC1)c2ccccc2O 62a_100000763275_100000188908 [0,1,0,1,0,0|2,0,0]=4 22736 B17R2.251954 O=C(NCCN1CCC1)c2ccccc2Br 240690a_100000691440_100000188424 [0,1,0,1,0,0|2,0,0]=4 22737 B17R2.251954 O=C(NCCN1CCC1)c2ccccc2Cl 240690a_100000691440_100000185844 [0,1,0,1,0,0|2,0,0]=4 22738 B17R2.251954 O=C(NCCN1CCC1)c2ccccc2F 240690a_100000691440_100000188656 [0,1,0,1,0,0|2,0,0]=4 22739 B17R2.251954 O=C(NCCN1CCC1)c2ccccc2I 240690a_100000691440_100000187884 [0,1,0,1,0,0|2,0,0]=4 22740 B17R2.251954 O=C(NCCN1CCC1)c2ccccc2O 240690a_100000691440_100015234032 [0,1,0,1,0,0|2,0,0]=4 22741 B17R2.251954 O=C(NCCN1CCC1)c2ccccc2[O-] 240690a_100000691440_100009911694 [0,1,0,1,0,0|2,0,0]=4 22742 B17R2.251954 O=C(NNCC1CCC1)c2ccccc2Br 22a_200020586977_100000188424 [0,1,0,1,0,0|2,0,0]=4 22743 B17R2.251954 O=C(NNCC1CCC1)c2ccccc2Cl 22a_200020586977_100000185844 [0,1,0,1,0,0|2,0,0]=4 22744 B17R2.251954 O=C(NNCC1CCC1)c2ccccc2F 22a_200020586977_100000188656 [0,1,0,1,0,0|2,0,0]=4 22745 B17R2.251954 O=C(NNCC1CCC1)c2ccccc2I 22a_200020586977_100000187884 [0,1,0,1,0,0|2,0,0]=4 22746 B17R2.251954 O=C(NNCC1CCC1)c2ccccc2O 22a_200020586977_100015234032 [0,1,0,1,0,0|2,0,0]=4 22747 B17R2.251954 O=C(NNCC1CCC1)c2ccccc2[O-] 22a_200020586977_100009911694 [0,1,0,1,0,0|2,0,0]=4 22748 B17R3.1939 c1ccc2c(c1)CC2OC3CCCCC3 7a_100000210231_100009813401 [0,0,0,2,0,0|1,0,1]=4 22749 B17R3.67215 O=C(NC1C2C1COC2)c3ccccc3 11a_100000702821_100000185807 [0,0,0,2,0,0|2,0,0]=4 22750 B17R3.67215 O=C(NC1C2C1COC2)c3ccccc3 240690a_100000702821_100000185807 [0,0,0,2,0,0|2,0,0]=4 22751 B17R3.67215 O=C(NC1C2C1COC2)c3ccccc3 527a_100000702821_100000185807 [0,0,0,2,0,0|2,0,0]=4 22752 B17R3.67268 CC(OC1CCC2C1C2)c3ccccc3 34a_200012295571_100000211855 [0,0,0,2,0,0|1,0,1]=4 22753 B17R3.67305 O=C(CN1CC2CC2C1)c3ccccc3 269982a_100000741873_100000211460 [0,0,0,2,0,0|2,0,0]=4 22754 B17R3.128644 O=C(c1ccccc1)N2C3CCC2CC3 11a_100000735658_100000185807 [0,0,0,2,0,0|1,0,0]=3 22755 B17R3.128644 O=C(c1ccccc1)N2C3CCC2CC3 1626a_100000735658_100000185807 [0,0,0,2,0,0|1,0,0]=3 22756 B17R3.128644 O=C(c1ccccc1)N2C3CCC2CC3 240690a_100000735658_100000185807 [0,0,0,2,0,0|1,0,0]=3 22757 B17R3.128644 O=C(c1ccccc1)N2C3CCC2CC3 527a_100000735658_100000185807 [0,0,0,2,0,0|1,0,0]=3 22758 B17R3.60848 CC1CCN1C2CC(=O)c3c2cccc3 269982a_100000755817_100010208147 [0,0,0,2,0,0|2,0,0]=4 22759 B17R3.60848 CC1CCN1C2OC(=O)c3c2cccc3 269982a_100000755817_100009813457 [0,0,0,2,0,0|1,0,0]=3 22760 B17R3.102389 O=C1CC(c2c1cccc2)NC3CCC3 2230a_100000749019_100010208147 [0,0,0,2,0,0|2,0,0]=4 22761 B17R3.102389 O=C1CC(c2c1cccc2)SC3CCC3 62a_100010208147_100000749161 [0,0,0,2,0,0|2,0,0]=4 22762 B17R3.102389 O=C1OC(c2c1cccc2)NC3CCC3 2230a_100000749019_100009813457 [0,0,0,2,0,0|1,0,0]=3 22763 B17R3.102389 O=C1OC(c2c1cccc2)NC3COC3 2230a_100016991112_100009813457 [0,0,0,2,0,0|2,0,0]=4 22764 B17R3.1872917 O=C(c1ccccc1)N2CCC23COC3 1626a_100015204706_100000185807 [0,0,0,2,0,0|2,0,0]=4 22765 B17R3.9639 O=C(c1ccccc1)N2CCCC23CC3 11a_100020620911_100000185807 [0,0,0,2,0,0|1,0,0]=3 22766 B17R3.9639 O=C(c1ccccc1)N2CCCC23CC3 1626a_100020620911_100000185807 [0,0,0,2,0,0|1,0,0]=3 22767 B17R3.9639 O=C(c1ccccc1)N2CCCC23CC3 240690a_100020620911_100000185807 [0,0,0,2,0,0|1,0,0]=3 22768 B17R3.9639 O=C(c1ccccc1)N2CCCC23CC3 527a_100020620911_100000185807 [0,0,0,2,0,0|1,0,0]=3 22769 B17R3.128648 O=C(c1ccccc1)C2CC3CCC2C3 1458a_100000185807_100000727232 [0,0,0,2,0,0|1,0,0]=3 22770 B17R3.128648 O=C(c1ccccc1)N2CC3CCC2C3 11a_100000743476_100000185807 [0,0,0,2,0,0|1,0,0]=3 22771 B17R3.128648 O=C(c1ccccc1)N2CC3CCC2C3 1626a_100000743476_100000185807 [0,0,0,2,0,0|1,0,0]=3 22772 B17R3.128648 O=C(c1ccccc1)N2CC3CCC2C3 240690a_100000743476_100000185807 [0,0,0,2,0,0|1,0,0]=3 22773 B17R3.128648 O=C(c1ccccc1)N2CC3CCC2C3 527a_100000743476_100000185807 [0,0,0,2,0,0|1,0,0]=3 22774 B17R3.128648 O=C(c1ccccc1)N2C[C@H]3C[C@@H]2CO3 11a_100016995552_100000185807 [0,0,0,2,0,0|2,0,0]=4 22775 B17R3.128648 O=C(c1ccccc1)N2C[C@H]3C[C@@H]2CO3 1626a_100016995552_100000185807 [0,0,0,2,0,0|2,0,0]=4 22776 B17R3.128648 O=C(c1ccccc1)N2C[C@H]3C[C@@H]2CO3 240690a_100016995552_100000185807 [0,0,0,2,0,0|2,0,0]=4 22777 B17R3.128648 O=C(c1ccccc1)N2C[C@H]3C[C@@H]2CO3 527a_100016995552_100000185807 [0,0,0,2,0,0|2,0,0]=4 22778 B17R3.4699 CC1CCCC1OC2Cc3c2cccc3 7a_100011216460_100009813401 [0,0,0,2,0,0|1,0,1]=4 22779 B17R3.102388 O=C1OC(c2c1cccc2)N[C@@H]3C[C@@H]3F 2230a_100015190264_100009813457 [0,0,0,2,0,0|2,0,0]=4 22780 B17R3.102388 O=C1OC(c2c1cccc2)N[C@@H]3C[C@H]3F 2230a_100025746932_100009813457 [0,0,0,2,0,0|2,0,0]=4 22781 B17R3.1898 c1ccc2c(c1)CC2OCC3CCCC3 7a_100000742336_100009813401 [0,0,0,2,0,0|1,0,1]=4 22782 B17R3.7829 O=C1CC(c2c1cccc2)N3CCCC3 2230a_100000188435_100010208147 [0,0,0,2,0,0|2,0,0]=4 22783 B17R3.7829 O=C1CC(c2c1cccc2)N3CCCC3 269982a_100000188435_100010208147 [0,0,0,2,0,0|2,0,0]=4 22784 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 2230a_100000188435_100009813457 [0,0,0,2,0,0|1,0,0]=3 22785 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 269982a_100000188435_100009813457 [0,0,0,2,0,0|1,0,0]=3 22786 B17R3.7829 O=C1OC(c2c1cccc2)N3CCSC3 2230a_100011215254_100009813457 [0,0,0,2,0,0|2,0,0]=4 22787 B17R3.7829 O=C1OC(c2c1cccc2)N3CCSC3 269982a_100011215254_100009813457 [0,0,0,2,0,0|2,0,0]=4 22788 B17R3.102390 O=C1CC(c2c1cccc2)NCC3CC3 2230a_100000735609_100010208147 [0,0,0,2,0,0|2,0,0]=4 22789 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CC3 62a_100000756562_100010208147 [0,0,0,2,0,0|2,0,0]=4 22790 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CC3 62a_100010208147_100000742324 [0,0,0,2,0,0|2,0,0]=4 22791 B17R3.102390 O=C1OC(c2c1cccc2)NCC3CC3 2230a_100000735609_100009813457 [0,0,0,2,0,0|1,0,0]=3 22792 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CC3 62a_100000756562_100009813457 [0,0,0,2,0,0|1,0,0]=3 22793 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CO3 62a_102125554688_100009813457 [0,0,0,2,0,0|2,0,0]=4 22794 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CS3 62a_100000031435_100009813457 [0,0,0,2,0,0|2,0,0]=4 22795 B17R3.102390 O=C1OC(c2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009813457 [0,0,0,2,0,0|2,0,0]=4 22796 B13R1.48 CCCCNCC(=O)c1ccc[nH]1 7a_106832991798_200011262396 [1,0,0,0,1,0|2,0,0]=4 22797 B13R1.48 CCCCNCC(=O)c1ccco1 7a_106832991798_100000211439 [1,0,0,0,1,0|2,0,0]=4 22798 B13R1.48 CCCCNCC(=O)c1cccs1 2230a_100000102301_100000211436 [1,0,0,0,1,0|2,0,0]=4 22799 B13R1.48 CCCCNCC(=O)c1cccs1 7a_106832991798_100000211436 [1,0,0,0,1,0|2,0,0]=4 22800 B13R1.48 CCCCNCC(=O)c1ccsc1 2230a_100000102301_100011219462 [1,0,0,0,1,0|2,0,0]=4 22801 B13R1.48 CCCCNCC(=O)c1ccsc1 7a_106832991798_100011219462 [1,0,0,0,1,0|2,0,0]=4 22802 B13R1.48 CCCCOCC(=O)c1ccc[nH]1 7a_100000210227_200011262396 [1,0,0,0,1,0|2,0,0]=4 22803 B13R1.48 CCCCOCC(=O)c1ccco1 7a_100000210227_100000211439 [1,0,0,0,1,0|2,0,0]=4 22804 B13R1.48 CCCCOCC(=O)c1cccs1 7a_100000210227_100000211436 [1,0,0,0,1,0|2,0,0]=4 22805 B13R1.48 CCCCOCC(=O)c1ccsc1 34a_100000210227_100011219462 [1,0,0,0,1,0|2,0,0]=4 22806 B13R1.48 CCCCOCC(=O)c1ccsc1 7a_100000210227_100011219462 [1,0,0,0,1,0|2,0,0]=4 22807 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_100000210211_200011262396 [1,0,0,0,1,0|2,0,0]=4 22808 B13R1.48 CCCCSCC(=O)c1ccc[nH]1 62a_200011262396_100000210210 [1,0,0,0,1,0|2,0,0]=4 22809 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000210211_100000211439 [1,0,0,0,1,0|2,0,0]=4 22810 B13R1.48 CCCCSCC(=O)c1ccco1 62a_100000211439_100000210210 [1,0,0,0,1,0|2,0,0]=4 22811 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000210211_100000211436 [1,0,0,0,1,0|2,0,0]=4 22812 B13R1.48 CCCCSCC(=O)c1cccs1 62a_100000211436_100000210210 [1,0,0,0,1,0|2,0,0]=4 22813 B13R1.48 CCCCSCC(=O)c1ccsc1 62a_100000210211_100011219462 [1,0,0,0,1,0|2,0,0]=4 22814 B13R1.48 CCCCSCC(=O)c1ccsc1 62a_100011219462_100000210210 [1,0,0,0,1,0|2,0,0]=4 22815 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100000210303_100011290775 [1,0,0,0,1,0|2,0,0]=4 22816 B13R1.48 CCCSCCC(=O)c1cccs1 62a_100011290775_100000210303 [1,0,0,0,1,0|2,0,0]=4 22817 B13R1.119 CCCCCCC=Cc1ccco1 271570a_200015348155_100009814098 [1,0,0,0,1,0|2,0,0]=4 22818 B13R1.119 CCCCCCC=Cc1cccs1 271570a_200015348155_100011215356 [1,0,0,0,1,0|2,0,0]=4 22819 B13R1.119 CCCCCCC=Cc1ccoc1 271570a_200015348155_100011215275 [1,0,0,0,1,0|2,0,0]=4 22820 B13R1.119 CCCCCCC=Cc1ccsc1 271570a_200015348155_100000738268 [1,0,0,0,1,0|2,0,0]=4 22821 B13R1.119 CCCCCCOCc1ccco1 34a_100000210059_100000210314 [1,0,0,0,1,0|1,0,1]=4 22822 B13R1.119 CCCCCCOCc1cccs1 34a_100000211240_100000210314 [1,0,0,0,1,0|1,0,1]=4 22823 B13R1.119 CCCCCCOCc1ccoc1 34a_100011215357_100000210314 [1,0,0,0,1,0|1,0,1]=4 22824 B13R1.119 CCCCCCOCc1ccsc1 34a_100000210259_100011261437 [1,0,0,0,1,0|1,0,1]=4 22825 B13R1.119 CCCCCCOCc1ccsc1 34a_100011215551_100000210314 [1,0,0,0,1,0|1,0,1]=4 22826 B13R1.119 CCCCCCOCc1ccsc1 7a_100000210259_100011261437 [1,0,0,0,1,0|1,0,1]=4 22827 B17R1.1287 CCCCCC#CC(=O)CCc1ccccc1 1458a_100011215388_100000765856 [0,0,0,0,0,2|1,0,1]=4 22828 B17R1.1287 CCCCCC#CC(=O)NCc1ccccc1 240690a_100015324214_100011215388 [0,0,0,0,0,2|1,0,1]=4 22829 B17R1.1287 CCCCCC#CC(=O)NNc1ccccc1 22a_100015195140_100011215388 [0,0,0,0,0,2|1,0,1]=4 22830 B17R1.1287 CCCCCC=CC(=O)CCc1ccccc1 1458a_100016263427_100000765856 [0,0,0,0,0,2|1,0,1]=4 22831 B17R1.1287 CCCCCC=CC(=O)NCc1ccccc1 11a_100015324214_100016263427 [0,0,0,0,0,2|1,0,1]=4 22832 B17R1.1287 CCCCCC=CC(=O)NCc1ccccc1 1626a_100015324214_100016263427 [0,0,0,0,0,2|1,0,1]=4 22833 B17R1.1287 CCCCCC=CC(=O)NCc1ccccc1 240690a_100015324214_100016263427 [0,0,0,0,0,2|1,0,1]=4 22834 B17R1.1287 CCCCCC=CC(=O)NNc1ccccc1 22a_100015195140_100016263427 [0,0,0,0,0,2|1,0,1]=4 22835 B17R1.1287 CCCCCCCC(=NNc1ccccc1)C 4a_100015195140_100000210596 [0,0,0,0,0,2|2,0,0]=4 22836 B17R1.1287 CCCCCCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000210614 [0,0,0,0,0,2|1,0,0]=3 22837 B17R1.1287 CCCCCCCC(=O)C#Cc1ccccn1 1458a_102125277312_100000210614 [0,0,0,0,0,2|2,0,0]=4 22838 B17R1.1287 CCCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210614 [0,0,0,0,0,2|1,0,0]=3 22839 B17R1.1287 CCCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210614 [0,0,0,0,0,2|2,0,0]=4 22840 B17R1.1287 CCCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100000210614 [0,0,0,0,0,2|2,0,0]=4 22841 B17R1.1287 CCCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100000210614 [0,0,0,0,0,2|2,0,0]=4 22842 B17R1.1287 CCCCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210614 [0,0,0,0,0,2|1,0,0]=3 22843 B17R1.1287 CCCCCCCC(=O)CCc1ccccc1 1458a_100000211969_100000765856 [0,0,0,0,0,2|1,0,0]=3 22844 B17R1.1287 CCCCCCCC(=O)CCc1ccccn1 1458a_100000211969_100015183660 [0,0,0,0,0,2|2,0,0]=4 22845 B17R1.1287 CCCCCCCC(=O)CCc1ccccn1 1458a_100015195070_100000210614 [0,0,0,0,0,2|2,0,0]=4 22846 B17R1.1287 CCCCCCCC(=O)CCc1cccnc1 1458a_100000198484_100000210614 [0,0,0,0,0,2|2,0,0]=4 22847 B17R1.1287 CCCCCCCC(=O)CCc1cccnc1 1458a_100000211969_200011713674 [0,0,0,0,0,2|2,0,0]=4 22848 B17R1.1287 CCCCCCCC(=O)CCc1ccncc1 1458a_100000211969_100000723409 [0,0,0,0,0,2|2,0,0]=4 22849 B17R1.1287 CCCCCCCC(=O)CCc1ccncc1 1458a_100011225043_100000210614 [0,0,0,0,0,2|2,0,0]=4 22850 B17R1.1287 CCCCCCCC(=O)COc1ccccc1 1458a_100000186222_100000210614 [0,0,0,0,0,2|1,0,0]=3 22851 B17R1.1287 CCCCCCCC(=O)COc1ccccn1 1458a_100102699861_100000210614 [0,0,0,0,0,2|2,0,0]=4 22852 B17R1.1287 CCCCCCCC(=O)COc1cccnc1 1458a_100015207166_100000210614 [0,0,0,0,0,2|2,0,0]=4 22853 B17R1.1287 CCCCCCCC(=O)CSc1ccccc1 1458a_100000211596_100000210614 [0,0,0,0,0,2|1,0,0]=3 22854 B17R1.1287 CCCCCCCC(=O)CSc1ccccn1 1458a_100000156281_100000210614 [0,0,0,0,0,2|2,0,0]=4 22855 B17R1.1287 CCCCCCCC(=O)CSc1ccncc1 1458a_100000211328_100000210614 [0,0,0,0,0,2|2,0,0]=4 22856 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 11a_100015324214_100000211969 [0,0,0,0,0,2|1,0,0]=3 22857 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 1626a_100015324214_100000211969 [0,0,0,0,0,2|1,0,0]=3 22858 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 240690a_100015324214_100000211969 [0,0,0,0,0,2|1,0,0]=3 22859 B17R1.1287 CCCCCCCC(=O)NCc1ccccc1 527a_100015324214_100000211969 [0,0,0,0,0,2|1,0,0]=3 22860 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 11a_100000210449_100000211969 [0,0,0,0,0,2|2,0,0]=4 22861 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 1626a_100000210449_100000211969 [0,0,0,0,0,2|2,0,0]=4 22862 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 240690a_100000210449_100000211969 [0,0,0,0,0,2|2,0,0]=4 22863 B17R1.1287 CCCCCCCC(=O)NCc1ccccn1 527a_100000210449_100000211969 [0,0,0,0,0,2|2,0,0]=4 22864 B17R1.1287 CCCCCCCC(=O)NCc1cccnc1 11a_100000210453_100000211969 [0,0,0,0,0,2|2,0,0]=4 22865 B17R1.1287 CCCCCCCC(=O)NCc1cccnc1 240690a_100000210453_100000211969 [0,0,0,0,0,2|2,0,0]=4 22866 B17R1.1287 CCCCCCCC(=O)NCc1cccnc1 527a_100000210453_100000211969 [0,0,0,0,0,2|2,0,0]=4 22867 B17R1.1287 CCCCCCCC(=O)NCc1ccncc1 11a_100000210450_100000211969 [0,0,0,0,0,2|2,0,0]=4 22868 B17R1.1287 CCCCCCCC(=O)NCc1ccncc1 1626a_100000210450_100000211969 [0,0,0,0,0,2|2,0,0]=4 22869 B17R1.1287 CCCCCCCC(=O)NCc1ccncc1 240690a_100000210450_100000211969 [0,0,0,0,0,2|2,0,0]=4 22870 B17R1.1287 CCCCCCCC(=O)NCc1ccncc1 527a_100000210450_100000211969 [0,0,0,0,0,2|2,0,0]=4 22871 B17R1.1287 CCCCCCCC(=O)NNc1ccccc1 22a_100015195140_100000211969 [0,0,0,0,0,2|1,0,0]=3 22872 B17R1.1287 CCCCCCCC(=O)NNc1ccccn1 22a_100000183288_100000211969 [0,0,0,0,0,2|2,0,0]=4 22873 B17R1.1287 CCCCCCCC(=O)NNc1cccnc1 22a_100000728903_100000211969 [0,0,0,0,0,2|2,0,0]=4 22874 B17R1.1287 CCCCCCCC(=O)NNc1ccncc1 22a_100000698918_100000211969 [0,0,0,0,0,2|2,0,0]=4 22875 B17R1.1287 CCCCCCNC(=O)C#Cc1ccccc1 240690a_100000210581_100000736102 [0,0,0,0,0,2|1,0,0]=3 22876 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccc1 11a_100000210581_100000210462 [0,0,0,0,0,2|1,0,0]=3 22877 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccc1 1626a_100000210581_100000210462 [0,0,0,0,0,2|1,0,0]=3 22878 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccn1 11a_100000210581_100000740811 [0,0,0,0,0,2|2,0,0]=4 22879 B17R1.1287 CCCCCCNC(=O)C=Cc1ccccn1 240690a_100000210581_100000740811 [0,0,0,0,0,2|2,0,0]=4 22880 B17R1.1287 CCCCCCNC(=O)C=Cc1cccnc1 11a_100000210581_100000735890 [0,0,0,0,0,2|2,0,0]=4 22881 B17R1.1287 CCCCCCNC(=O)C=Cc1cccnc1 240690a_100000210581_100000735890 [0,0,0,0,0,2|2,0,0]=4 22882 B17R1.1287 CCCCCCNC(=O)C=Cc1ccncc1 240690a_100000210581_100000682801 [0,0,0,0,0,2|2,0,0]=4 22883 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 11a_100000210581_100000185753 [0,0,0,0,0,2|1,0,0]=3 22884 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 1626a_100000210581_100000185753 [0,0,0,0,0,2|1,0,0]=3 22885 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 240690a_100000210581_100000185753 [0,0,0,0,0,2|1,0,0]=3 22886 B17R1.1287 CCCCCCNC(=O)CCc1ccccc1 527a_100000210581_100000185753 [0,0,0,0,0,2|1,0,0]=3 22887 B17R1.1287 CCCCCCNC(=O)CCc1ccccn1 11a_100000210581_100015195070 [0,0,0,0,0,2|2,0,0]=4 22888 B17R1.1287 CCCCCCNC(=O)CCc1ccccn1 240690a_100000210581_100015195070 [0,0,0,0,0,2|2,0,0]=4 22889 B17R1.1287 CCCCCCNC(=O)CCc1ccccn1 527a_100000210581_100015195070 [0,0,0,0,0,2|2,0,0]=4 22890 B17R1.1287 CCCCCCNC(=O)CCc1cccnc1 11a_100000210581_100000198484 [0,0,0,0,0,2|2,0,0]=4 22891 B17R1.1287 CCCCCCNC(=O)CCc1cccnc1 1626a_100000210581_100000198484 [0,0,0,0,0,2|2,0,0]=4 22892 B17R1.1287 CCCCCCNC(=O)CCc1cccnc1 240690a_100000210581_100000198484 [0,0,0,0,0,2|2,0,0]=4 22893 B17R1.1287 CCCCCCNC(=O)CCc1cccnc1 527a_100000210581_100000198484 [0,0,0,0,0,2|2,0,0]=4 22894 B17R1.1287 CCCCCCNC(=O)CCc1ccncc1 11a_100000210581_100011225043 [0,0,0,0,0,2|2,0,0]=4 22895 B17R1.1287 CCCCCCNC(=O)CCc1ccncc1 240690a_100000210581_100011225043 [0,0,0,0,0,2|2,0,0]=4 22896 B17R1.1287 CCCCCCNC(=O)CCc1ccncc1 527a_100000210581_100011225043 [0,0,0,0,0,2|2,0,0]=4 22897 B17R1.1287 CCCCCCNC(=O)CNc1ccccc1 34a_100000106764_100000230325 [0,0,0,0,0,2|1,0,0]=3 22898 B17R1.1287 CCCCCCNC(=O)COc1ccccc1 11a_100000210581_100000186222 [0,0,0,0,0,2|1,0,0]=3 22899 B17R1.1287 CCCCCCNC(=O)COc1ccccc1 1626a_100000210581_100000186222 [0,0,0,0,0,2|1,0,0]=3 22900 B17R1.1287 CCCCCCNC(=O)COc1ccccc1 240690a_100000210581_100000186222 [0,0,0,0,0,2|1,0,0]=3 22901 B17R1.1287 CCCCCCNC(=O)COc1ccccc1 34a_100000210340_100000230325 [0,0,0,0,0,2|1,0,0]=3 22902 B17R1.1287 CCCCCCNC(=O)COc1ccccc1 527a_100000210581_100000186222 [0,0,0,0,0,2|1,0,0]=3 22903 B17R1.1287 CCCCCCNC(=O)COc1ccccc1 7a_100000210340_100000230325 [0,0,0,0,0,2|1,0,0]=3 22904 B17R1.1287 CCCCCCNC(=O)COc1ccccn1 1626a_100000210581_100102699861 [0,0,0,0,0,2|2,0,0]=4 22905 B17R1.1287 CCCCCCNC(=O)COc1ccccn1 240690a_100000210581_100102699861 [0,0,0,0,0,2|2,0,0]=4 22906 B17R1.1287 CCCCCCNC(=O)COc1ccccn1 527a_100000210581_100102699861 [0,0,0,0,0,2|2,0,0]=4 22907 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 11a_100000210581_100015207166 [0,0,0,0,0,2|2,0,0]=4 22908 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 1626a_100000210581_100015207166 [0,0,0,0,0,2|2,0,0]=4 22909 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 240690a_100000210581_100015207166 [0,0,0,0,0,2|2,0,0]=4 22910 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 34a_100000210849_100000230325 [0,0,0,0,0,2|2,0,0]=4 22911 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 527a_100000210581_100015207166 [0,0,0,0,0,2|2,0,0]=4 22912 B17R1.1287 CCCCCCNC(=O)COc1cccnc1 7a_100000210849_100000230325 [0,0,0,0,0,2|2,0,0]=4 22913 B17R1.1287 CCCCCCNC(=O)COc1ccncc1 34a_100000212176_100000230325 [0,0,0,0,0,2|2,0,0]=4 22914 B17R1.1287 CCCCCCNC(=O)CSc1ccccc1 11a_100000210581_100000211596 [0,0,0,0,0,2|1,0,0]=3 22915 B17R1.1287 CCCCCCNC(=O)CSc1ccccc1 1626a_100000210581_100000211596 [0,0,0,0,0,2|1,0,0]=3 22916 B17R1.1287 CCCCCCNC(=O)CSc1ccccc1 240690a_100000210581_100000211596 [0,0,0,0,0,2|1,0,0]=3 22917 B17R1.1287 CCCCCCNC(=O)CSc1ccccc1 527a_100000210581_100000211596 [0,0,0,0,0,2|1,0,0]=3 22918 B17R1.1287 CCCCCCNC(=O)CSc1ccccc1 62a_100000230325_100000041952 [0,0,0,0,0,2|1,0,0]=3 22919 B17R1.1287 CCCCCCNC(=O)CSc1ccccn1 11a_100000210581_100000156281 [0,0,0,0,0,2|2,0,0]=4 22920 B17R1.1287 CCCCCCNC(=O)CSc1ccccn1 240690a_100000210581_100000156281 [0,0,0,0,0,2|2,0,0]=4 22921 B17R1.1287 CCCCCCNC(=O)CSc1ccccn1 527a_100000210581_100000156281 [0,0,0,0,0,2|2,0,0]=4 22922 B17R1.1287 CCCCCCNC(=O)CSc1ccccn1 62a_100000230325_100011216584 [0,0,0,0,0,2|2,0,0]=4 22923 B17R1.1287 CCCCCCNC(=O)CSc1cccnc1 62a_100000230325_100000210063 [0,0,0,0,0,2|2,0,0]=4 22924 B17R1.1287 CCCCCCNC(=O)CSc1ccncc1 11a_100000210581_100000211328 [0,0,0,0,0,2|2,0,0]=4 22925 B17R1.1287 CCCCCCNC(=O)CSc1ccncc1 1626a_100000210581_100000211328 [0,0,0,0,0,2|2,0,0]=4 22926 B17R1.1287 CCCCCCNC(=O)CSc1ccncc1 240690a_100000210581_100000211328 [0,0,0,0,0,2|2,0,0]=4 22927 B17R1.1287 CCCCCCNC(=O)CSc1ccncc1 527a_100000210581_100000211328 [0,0,0,0,0,2|2,0,0]=4 22928 B17R1.1287 CCCCCCNC(=O)CSc1ccncc1 62a_100000230325_100000728582 [0,0,0,0,0,2|2,0,0]=4 22929 B17R1.1287 CCCCCCNC(=O)NCc1ccccc1 2708a_100000210581_100015324214 [0,0,0,0,0,2|1,0,0]=3 22930 B17R1.1287 CCCCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000210581 [0,0,0,0,0,2|1,0,0]=3 22931 B17R1.1287 CCCCCCNC(=O)NCc1ccccc1 273464a_100000210581_100015324214 [0,0,0,0,0,2|1,0,0]=3 22932 B17R1.1287 CCCCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000210581 [0,0,0,0,0,2|1,0,0]=3 22933 B17R1.1287 CCCCCCNC(=O)NCc1ccccc1 512a_100000210581_100015324214 [0,0,0,0,0,2|1,0,0]=3 22934 B17R1.1287 CCCCCCNC(=O)NCc1ccccc1 512a_100015324214_100000210581 [0,0,0,0,0,2|1,0,0]=3 22935 B17R1.1287 CCCCCCNC(=O)NCc1ccccn1 2708a_100000210449_100000210581 [0,0,0,0,0,2|2,0,0]=4 22936 B17R1.1287 CCCCCCNC(=O)NCc1ccccn1 2708a_100000210581_100000210449 [0,0,0,0,0,2|2,0,0]=4 22937 B17R1.1287 CCCCCCNC(=O)NCc1ccccn1 273464a_100000210449_100000210581 [0,0,0,0,0,2|2,0,0]=4 22938 B17R1.1287 CCCCCCNC(=O)NCc1ccccn1 273464a_100000210581_100000210449 [0,0,0,0,0,2|2,0,0]=4 22939 B17R1.1287 CCCCCCNC(=O)NCc1ccccn1 512a_100000210581_100000210449 [0,0,0,0,0,2|2,0,0]=4 22940 B17R1.1287 CCCCCCNC(=O)NCc1cccnc1 2708a_100000210453_100000210581 [0,0,0,0,0,2|2,0,0]=4 22941 B17R1.1287 CCCCCCNC(=O)NCc1cccnc1 2708a_100000210581_100000210453 [0,0,0,0,0,2|2,0,0]=4 22942 B17R1.1287 CCCCCCNC(=O)NCc1cccnc1 273464a_100000210453_100000210581 [0,0,0,0,0,2|2,0,0]=4 22943 B17R1.1287 CCCCCCNC(=O)NCc1cccnc1 273464a_100000210581_100000210453 [0,0,0,0,0,2|2,0,0]=4 22944 B17R1.1287 CCCCCCNC(=O)NCc1cccnc1 512a_100000210453_100000210581 [0,0,0,0,0,2|2,0,0]=4 22945 B17R1.1287 CCCCCCNC(=O)NCc1cccnc1 512a_100000210581_100000210453 [0,0,0,0,0,2|2,0,0]=4 22946 B17R1.1287 CCCCCCNC(=O)NCc1ccncc1 2708a_100000210450_100000210581 [0,0,0,0,0,2|2,0,0]=4 22947 B17R1.1287 CCCCCCNC(=O)NCc1ccncc1 2708a_100000210581_100000210450 [0,0,0,0,0,2|2,0,0]=4 22948 B17R1.1287 CCCCCCNC(=O)NCc1ccncc1 273464a_100000210450_100000210581 [0,0,0,0,0,2|2,0,0]=4 22949 B17R1.1287 CCCCCCNC(=O)NCc1ccncc1 273464a_100000210581_100000210450 [0,0,0,0,0,2|2,0,0]=4 22950 B17R1.1287 CCCCCCNC(=O)NCc1ccncc1 512a_100000210581_100000210450 [0,0,0,0,0,2|2,0,0]=4 22951 B17R1.1287 CCCCCCNC(=O)NNc1ccccc1 273464a_100000210581_100015195140 [0,0,0,0,0,2|1,0,0]=3 22952 B17R1.1287 CCCCCCNC(=O)NNc1ccccc1 512a_100000210581_100015195140 [0,0,0,0,0,2|1,0,0]=3 22953 B17R1.1287 CCCCCCNC(=O)NNc1ccccn1 273464a_100000210581_100000183288 [0,0,0,0,0,2|2,0,0]=4 22954 B17R1.1287 CCCCCCNC(=O)NNc1ccccn1 512a_100000210581_100000183288 [0,0,0,0,0,2|2,0,0]=4 22955 B17R1.1287 CCCCCCNC(=O)NNc1cccnc1 273464a_100000210581_100000728903 [0,0,0,0,0,2|2,0,0]=4 22956 B17R1.1287 CCCCCCNC(=O)NNc1cccnc1 512a_100000210581_100000728903 [0,0,0,0,0,2|2,0,0]=4 22957 B17R1.1287 CCCCCCNC(=O)NNc1ccncc1 273464a_100000210581_100000698918 [0,0,0,0,0,2|2,0,0]=4 22958 B17R1.1287 CCCCCCNC(=O)NNc1ccncc1 512a_100000210581_100000698918 [0,0,0,0,0,2|2,0,0]=4 22959 B17R1.1287 CCCCCCOC(C)C#Cc1ccccc1 34a_200000065209_100000210314 [0,0,0,0,0,2|1,0,1]=4 22960 B17R1.1287 CCCCCCOC(C)C#Cc1ccccc1 7a_200000065209_100000210314 [0,0,0,0,0,2|1,0,1]=4 22961 B17R1.1287 CCCCCCOC(C)COc1ccccc1 34a_100000210911_100000210314 [0,0,0,0,0,2|1,0,1]=4 22962 B17R1.1287 CCCCCCOC(C)COc1ccccc1 7a_100000210911_100000210314 [0,0,0,0,0,2|1,0,1]=4 22963 B17R1.1287 CCCCCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210314 [0,0,0,0,0,2|1,0,1]=4 22964 B17R1.1287 CCCCCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210314 [0,0,0,0,0,2|1,0,1]=4 22965 B17R1.1287 CCCCCNCC(=O)CCc1ccccc1 2230a_100000209983_100012361361 [0,0,0,0,0,2|2,0,0]=4 22966 B17R1.1287 CCCCCNCC(=O)NCc1ccccc1 2230a_100000209983_100000183539 [0,0,0,0,0,2|2,0,0]=4 22967 B17R1.1287 CCCCCNCC(=O)NCc1ccccc1 2230a_100000739245_100000210326 [0,0,0,0,0,2|2,0,0]=4 22968 B17R1.1287 CCCCCNCC(=O)OCc1ccccc1 2230a_100000209983_100000753625 [0,0,0,0,0,2|2,0,0]=4 22969 B17R1.1287 CCCCCNNC(=O)C#Cc1ccccc1 22a_100000694160_100000736102 [0,0,0,0,0,2|2,0,0]=4 22970 B17R1.1287 CCCCCNNC(=O)C=Cc1ccccc1 22a_100000694160_100000210462 [0,0,0,0,0,2|2,0,0]=4 22971 B17R1.1287 CCCCCNNC(=O)CCc1ccccc1 22a_100000694160_100000185753 [0,0,0,0,0,2|2,0,0]=4 22972 B17R1.1287 CCCCCNNC(=O)COc1ccccc1 22a_100000694160_100000186222 [0,0,0,0,0,2|2,0,0]=4 22973 B17R1.1287 CCCCCNNC(=O)CSc1ccccc1 22a_100000694160_100000211596 [0,0,0,0,0,2|2,0,0]=4 22974 B17R1.1287 CCCCCNNC(=O)NCc1ccccc1 273464a_100015324214_100000694160 [0,0,0,0,0,2|2,0,0]=4 22975 B17R1.1287 CCCCCNNC(=O)NCc1ccccc1 512a_100000694160_100015324214 [0,0,0,0,0,2|2,0,0]=4 22976 B17R1.1287 CCCCCNNC(=O)NCc1ccccc1 512a_100015324214_100000694160 [0,0,0,0,0,2|2,0,0]=4 22977 B17R1.1287 CCCCCNNC(=O)NNc1ccccc1 512a_100000694160_100015195140 [0,0,0,0,0,2|2,0,0]=4 22978 B17R1.1287 CCCCCOCC(=O)CCc1ccccc1 34a_100000210253_100012361361 [0,0,0,0,0,2|2,0,0]=4 22979 B17R1.1287 CCCCCOCC(=O)CCc1ccccc1 7a_100000210253_100012361361 [0,0,0,0,0,2|2,0,0]=4 22980 B17R1.1287 CCCCCOCC(=O)NCc1ccccc1 34a_100000210253_100000183539 [0,0,0,0,0,2|2,0,0]=4 22981 B17R1.1287 CCCCCOCC(=O)NCc1ccccc1 7a_100000210253_100000183539 [0,0,0,0,0,2|2,0,0]=4 22982 B17R1.1287 CCCCCOCC(=O)OCc1ccccc1 34a_100000210253_100000753625 [0,0,0,0,0,2|2,0,0]=4 22983 B17R1.1287 CCCCCOCC(=O)OCc1ccccc1 7a_100000210253_100000753625 [0,0,0,0,0,2|2,0,0]=4 22984 B17R1.1287 CCCCCSCC(=O)CCc1ccccc1 62a_100000210326_100012361361 [0,0,0,0,0,2|2,0,0]=4 22985 B17R1.1287 CCCCCSCC(=O)CCc1ccccc1 62a_100012361361_100000210326 [0,0,0,0,0,2|2,0,0]=4 22986 B17R1.1287 CCCCCSCC(=O)NCc1ccccc1 62a_100000183539_100000210326 [0,0,0,0,0,2|2,0,0]=4 22987 B17R1.1287 CCCCCSCC(=O)NCc1ccccc1 62a_100000210326_100000183539 [0,0,0,0,0,2|2,0,0]=4 22988 B17R1.1287 CCCCCSCC(=O)OCc1ccccc1 62a_100000210326_100000753625 [0,0,0,0,0,2|2,0,0]=4 22989 B17R1.1287 CCCCCSCC(=O)OCc1ccccc1 62a_100000753625_100000210326 [0,0,0,0,0,2|2,0,0]=4 22990 B17R1.1287 CCCCNCCC(=O)NCc1ccccc1 2230a_100025741942_100000210211 [0,0,0,0,0,2|2,0,0]=4 22991 B17R1.1287 CCCCNCCC(=O)NCc1ccccc1 34a_100025741942_100000210210 [0,0,0,0,0,2|2,0,0]=4 22992 B17R1.1287 CCCCNCCC(=O)OCc1ccccc1 2230a_100000102301_100009813219 [0,0,0,0,0,2|2,0,0]=4 22993 B17R1.1287 CCCCNCCC(=O)OCc1ccccc1 7a_106832991798_100009813219 [0,0,0,0,0,2|2,0,0]=4 22994 B17R1.1287 CCCCOCCC(=O)C#Cc1ccccc1 1458a_100000736102_100000743108 [0,0,0,0,0,2|2,0,0]=4 22995 B17R1.1287 CCCCOCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000743108 [0,0,0,0,0,2|2,0,0]=4 22996 B17R1.1287 CCCCOCCC(=O)CCc1ccccc1 1458a_100000185753_100000743108 [0,0,0,0,0,2|2,0,0]=4 22997 B17R1.1287 CCCCOCCC(=O)COc1ccccc1 1458a_100000186222_100000743108 [0,0,0,0,0,2|2,0,0]=4 22998 B17R1.1287 CCCCOCCC(=O)CSc1ccccc1 1458a_100000211596_100000743108 [0,0,0,0,0,2|2,0,0]=4 22999 B17R1.1287 CCCCOCCC(=O)OCc1ccccc1 7a_100000210227_100009813219 [0,0,0,0,0,2|2,0,0]=4 23000 B17R1.1287 CCCCOCCC(=O)OCc1ccccc1 7a_100009831632_100000210211 [0,0,0,0,0,2|2,0,0]=4 23001 B17R1.1287 CCCCSCCC(=O)OCc1ccccc1 62a_100000210211_100009813219 [0,0,0,0,0,2|2,0,0]=4 23002 B17R1.1287 CCCCSCCC(=O)OCc1ccccc1 62a_100009813219_100000210210 [0,0,0,0,0,2|2,0,0]=4 23003 B17R1.1287 CCCOCCCC(=O)OCc1ccccc1 34a_100000210258_100009813218 [0,0,0,0,0,2|2,0,0]=4 23004 B17R1.1287 CCCOCCCC(=O)OCc1ccccc1 7a_100009831633_100000210303 [0,0,0,0,0,2|2,0,0]=4 23005 B17R1.1287 CCCOCCNC(=O)C#Cc1ccccc1 240690a_100161115042_100000736102 [0,0,0,0,0,2|2,0,0]=4 23006 B17R1.1287 CCCOCCNC(=O)C=Cc1ccccc1 1626a_100161115042_100000210462 [0,0,0,0,0,2|2,0,0]=4 23007 B17R1.1287 CCCOCCNC(=O)CCc1ccccc1 1626a_100161115042_100000185753 [0,0,0,0,0,2|2,0,0]=4 23008 B17R1.1287 CCCOCCNC(=O)CCc1ccccc1 240690a_100161115042_100000185753 [0,0,0,0,0,2|2,0,0]=4 23009 B17R1.1287 CCCOCCNC(=O)CCc1ccccc1 527a_100161115042_100000185753 [0,0,0,0,0,2|2,0,0]=4 23010 B17R1.1287 CCCOCCNC(=O)COc1ccccc1 1626a_100161115042_100000186222 [0,0,0,0,0,2|2,0,0]=4 23011 B17R1.1287 CCCOCCNC(=O)COc1ccccc1 240690a_100161115042_100000186222 [0,0,0,0,0,2|2,0,0]=4 23012 B17R1.1287 CCCOCCNC(=O)COc1ccccc1 527a_100161115042_100000186222 [0,0,0,0,0,2|2,0,0]=4 23013 B17R1.1287 CCCOCCNC(=O)CSc1ccccc1 1626a_100161115042_100000211596 [0,0,0,0,0,2|2,0,0]=4 23014 B17R1.1287 CCCOCCNC(=O)CSc1ccccc1 240690a_100161115042_100000211596 [0,0,0,0,0,2|2,0,0]=4 23015 B17R1.1287 CCCOCCNC(=O)CSc1ccccc1 527a_100161115042_100000211596 [0,0,0,0,0,2|2,0,0]=4 23016 B17R1.1287 CCCOCCNC(=O)NCc1ccccc1 2708a_100015324214_100161115042 [0,0,0,0,0,2|2,0,0]=4 23017 B17R1.1287 CCCOCCNC(=O)NCc1ccccc1 2708a_100161115042_100015324214 [0,0,0,0,0,2|2,0,0]=4 23018 B17R1.1287 CCCOCCNC(=O)NCc1ccccc1 273464a_100015324214_100161115042 [0,0,0,0,0,2|2,0,0]=4 23019 B17R1.1287 CCCOCCNC(=O)NCc1ccccc1 273464a_100161115042_100015324214 [0,0,0,0,0,2|2,0,0]=4 23020 B17R1.1287 CCCOCCNC(=O)NCc1ccccc1 512a_100015324214_100161115042 [0,0,0,0,0,2|2,0,0]=4 23021 B17R1.1287 CCCOCCNC(=O)NCc1ccccc1 512a_100161115042_100015324214 [0,0,0,0,0,2|2,0,0]=4 23022 B17R1.1287 CCCOCCNC(=O)NNc1ccccc1 273464a_100161115042_100015195140 [0,0,0,0,0,2|2,0,0]=4 23023 B17R1.1287 CCCOCCNC(=O)NNc1ccccc1 512a_100161115042_100015195140 [0,0,0,0,0,2|2,0,0]=4 23024 B17R1.1287 CCCOCCNC(=O)OCc1ccccc1 34a_100000159002_100000210303 [0,0,0,0,0,2|2,0,0]=4 23025 B17R1.1287 CCCOCCNC(=O)OCc1ccccc1 7a_100000159002_100000210303 [0,0,0,0,0,2|2,0,0]=4 23026 B17R1.1287 CCCSCCCC(=O)OCc1ccccc1 62a_100000210303_100009813218 [0,0,0,0,0,2|2,0,0]=4 23027 B17R1.1287 CCCSCCCC(=O)OCc1ccccc1 62a_100009813218_100000210303 [0,0,0,0,0,2|2,0,0]=4 23028 B17R1.1287 CCCSCCNC(=O)C#Cc1ccccc1 240690a_100020603323_100000736102 [0,0,0,0,0,2|2,0,0]=4 23029 B17R1.1287 CCCSCCNC(=O)C=Cc1ccccc1 11a_100020603323_100000210462 [0,0,0,0,0,2|2,0,0]=4 23030 B17R1.1287 CCCSCCNC(=O)CCc1ccccc1 11a_100020603323_100000185753 [0,0,0,0,0,2|2,0,0]=4 23031 B17R1.1287 CCCSCCNC(=O)CCc1ccccc1 240690a_100020603323_100000185753 [0,0,0,0,0,2|2,0,0]=4 23032 B17R1.1287 CCCSCCNC(=O)CCc1ccccc1 527a_100020603323_100000185753 [0,0,0,0,0,2|2,0,0]=4 23033 B17R1.1287 CCCSCCNC(=O)COc1ccccc1 11a_100020603323_100000186222 [0,0,0,0,0,2|2,0,0]=4 23034 B17R1.1287 CCCSCCNC(=O)COc1ccccc1 240690a_100020603323_100000186222 [0,0,0,0,0,2|2,0,0]=4 23035 B17R1.1287 CCCSCCNC(=O)COc1ccccc1 527a_100020603323_100000186222 [0,0,0,0,0,2|2,0,0]=4 23036 B17R1.1287 CCCSCCNC(=O)CSc1ccccc1 11a_100020603323_100000211596 [0,0,0,0,0,2|2,0,0]=4 23037 B17R1.1287 CCCSCCNC(=O)CSc1ccccc1 240690a_100020603323_100000211596 [0,0,0,0,0,2|2,0,0]=4 23038 B17R1.1287 CCCSCCNC(=O)CSc1ccccc1 527a_100020603323_100000211596 [0,0,0,0,0,2|2,0,0]=4 23039 B17R1.1287 CCCSCCNC(=O)NCc1ccccc1 2708a_100015324214_100020603323 [0,0,0,0,0,2|2,0,0]=4 23040 B17R1.1287 CCCSCCNC(=O)NCc1ccccc1 2708a_100020603323_100015324214 [0,0,0,0,0,2|2,0,0]=4 23041 B17R1.1287 CCCSCCNC(=O)NCc1ccccc1 273464a_100015324214_100020603323 [0,0,0,0,0,2|2,0,0]=4 23042 B17R1.1287 CCCSCCNC(=O)NCc1ccccc1 273464a_100020603323_100015324214 [0,0,0,0,0,2|2,0,0]=4 23043 B17R1.1287 CCCSCCNC(=O)NCc1ccccc1 512a_100015324214_100020603323 [0,0,0,0,0,2|2,0,0]=4 23044 B17R1.1287 CCCSCCNC(=O)NCc1ccccc1 512a_100020603323_100015324214 [0,0,0,0,0,2|2,0,0]=4 23045 B17R1.1287 CCCSCCNC(=O)NNc1ccccc1 273464a_100020603323_100015195140 [0,0,0,0,0,2|2,0,0]=4 23046 B17R1.1287 CCCSCCNC(=O)NNc1ccccc1 512a_100020603323_100015195140 [0,0,0,0,0,2|2,0,0]=4 23047 B17R1.1287 CCCSCCNC(=O)OCc1ccccc1 62a_100000210303_100012357035 [0,0,0,0,0,2|2,0,0]=4 23048 B17R1.1287 CCCSCCNC(=O)OCc1ccccc1 62a_100012357035_100000210303 [0,0,0,0,0,2|2,0,0]=4 23049 B17R1.1287 CCNCCCNC(=O)OCc1ccccc1 2230a_100015525214_100012340047 [0,0,0,0,0,2|2,0,0]=4 23050 B17R1.1287 CCOCCCCC(=O)OCc1ccccc1 7a_200000059030_100000210202 [0,0,0,0,0,2|2,0,0]=4 23051 B17R1.1287 CCOCCCNC(=O)C#Cc1ccccc1 240690a_100000210961_100000736102 [0,0,0,0,0,2|2,0,0]=4 23052 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccc1 11a_100000210961_100000210462 [0,0,0,0,0,2|2,0,0]=4 23053 B17R1.1287 CCOCCCNC(=O)C=Cc1ccccc1 1626a_100000210961_100000210462 [0,0,0,0,0,2|2,0,0]=4 23054 B17R1.1287 CCOCCCNC(=O)CCc1ccccc1 11a_100000210961_100000185753 [0,0,0,0,0,2|2,0,0]=4 23055 B17R1.1287 CCOCCCNC(=O)CCc1ccccc1 1626a_100000210961_100000185753 [0,0,0,0,0,2|2,0,0]=4 23056 B17R1.1287 CCOCCCNC(=O)CCc1ccccc1 240690a_100000210961_100000185753 [0,0,0,0,0,2|2,0,0]=4 23057 B17R1.1287 CCOCCCNC(=O)CCc1ccccc1 527a_100000210961_100000185753 [0,0,0,0,0,2|2,0,0]=4 23058 B17R1.1287 CCOCCCNC(=O)COc1ccccc1 11a_100000210961_100000186222 [0,0,0,0,0,2|2,0,0]=4 23059 B17R1.1287 CCOCCCNC(=O)COc1ccccc1 1626a_100000210961_100000186222 [0,0,0,0,0,2|2,0,0]=4 23060 B17R1.1287 CCOCCCNC(=O)COc1ccccc1 240690a_100000210961_100000186222 [0,0,0,0,0,2|2,0,0]=4 23061 B17R1.1287 CCOCCCNC(=O)COc1ccccc1 527a_100000210961_100000186222 [0,0,0,0,0,2|2,0,0]=4 23062 B17R1.1287 CCOCCCNC(=O)CSc1ccccc1 11a_100000210961_100000211596 [0,0,0,0,0,2|2,0,0]=4 23063 B17R1.1287 CCOCCCNC(=O)CSc1ccccc1 1626a_100000210961_100000211596 [0,0,0,0,0,2|2,0,0]=4 23064 B17R1.1287 CCOCCCNC(=O)CSc1ccccc1 240690a_100000210961_100000211596 [0,0,0,0,0,2|2,0,0]=4 23065 B17R1.1287 CCOCCCNC(=O)CSc1ccccc1 527a_100000210961_100000211596 [0,0,0,0,0,2|2,0,0]=4 23066 B17R1.1287 CCOCCCNC(=O)NCc1ccccc1 2708a_100000210961_100015324214 [0,0,0,0,0,2|2,0,0]=4 23067 B17R1.1287 CCOCCCNC(=O)NCc1ccccc1 2708a_100015324214_100000210961 [0,0,0,0,0,2|2,0,0]=4 23068 B17R1.1287 CCOCCCNC(=O)NCc1ccccc1 273464a_100000210961_100015324214 [0,0,0,0,0,2|2,0,0]=4 23069 B17R1.1287 CCOCCCNC(=O)NCc1ccccc1 273464a_100015324214_100000210961 [0,0,0,0,0,2|2,0,0]=4 23070 B17R1.1287 CCOCCCNC(=O)NCc1ccccc1 512a_100000210961_100015324214 [0,0,0,0,0,2|2,0,0]=4 23071 B17R1.1287 CCOCCCNC(=O)NCc1ccccc1 512a_100015324214_100000210961 [0,0,0,0,0,2|2,0,0]=4 23072 B17R1.1287 CCOCCCNC(=O)NNc1ccccc1 273464a_100000210961_100015195140 [0,0,0,0,0,2|2,0,0]=4 23073 B17R1.1287 CCOCCCNC(=O)NNc1ccccc1 512a_100000210961_100015195140 [0,0,0,0,0,2|2,0,0]=4 23074 B17R1.1287 CCOCCCNC(=O)OCc1ccccc1 34a_100011215709_100000210202 [0,0,0,0,0,2|2,0,0]=4 23075 B17R1.1287 CCOCCCNC(=O)OCc1ccccc1 34a_100121572206_100012340047 [0,0,0,0,0,2|2,0,0]=4 23076 B17R1.1287 CCOCCCNC(=O)OCc1ccccc1 7a_100011215709_100000210202 [0,0,0,0,0,2|2,0,0]=4 23077 B17R1.1287 CCSCCCNC(=O)OCc1ccccc1 62a_100000210202_100012340047 [0,0,0,0,0,2|2,0,0]=4 23078 B17R1.1287 CCSCCCNC(=O)OCc1ccccc1 62a_100012340047_100000210202 [0,0,0,0,0,2|2,0,0]=4 23079 B17R1.1287 COCCCCCC(=O)CCc1ccccc1 1458a_100011935119_100000765856 [0,0,0,0,0,2|2,0,0]=4 23080 B17R1.1287 COCCCCCC(=O)NCc1ccccc1 11a_100015324214_100011935119 [0,0,0,0,0,2|2,0,0]=4 23081 B17R1.1287 COCCCCCC(=O)NCc1ccccc1 1626a_100015324214_100011935119 [0,0,0,0,0,2|2,0,0]=4 23082 B17R1.1287 COCCCCCC(=O)NCc1ccccc1 240690a_100015324214_100011935119 [0,0,0,0,0,2|2,0,0]=4 23083 B17R1.1287 COCCCCCC(=O)NCc1ccccc1 527a_100015324214_100011935119 [0,0,0,0,0,2|2,0,0]=4 23084 B17R1.1287 COCCCCCC(=O)NNc1ccccc1 22a_100015195140_100011935119 [0,0,0,0,0,2|2,0,0]=4 23085 B17R1.1287 COCCCCNC(=O)OCc1ccccc1 34a_100011217940_200000210301 [0,0,0,0,0,2|2,0,0]=4 23086 B17R1.1287 COCCCCNC(=O)OCc1ccccc1 7a_100011217940_200000210301 [0,0,0,0,0,2|2,0,0]=4 23087 B17R1.1287 O=C(C#Cc1ccccc1)CCCCCCF 1458a_100000736102_100015922095 [0,0,0,0,0,2|2,0,0]=4 23088 B17R1.1287 O=C(C#Cc1ccccc1)CCCCCCO 1458a_100000736102_100000766143 [0,0,0,0,0,2|2,0,0]=4 23089 B17R1.1287 O=C(C#Cc1ccccc1)NCCCCCO 240690a_100000762737_100000736102 [0,0,0,0,0,2|2,0,0]=4 23090 B17R1.1287 O=C(C=Cc1ccccc1)CCCCCCF 1458a_100000210462_100015922095 [0,0,0,0,0,2|2,0,0]=4 23091 B17R1.1287 O=C(C=Cc1ccccc1)CCCCCCO 1458a_100000210462_100000766143 [0,0,0,0,0,2|2,0,0]=4 23092 B17R1.1287 O=C(CCCCCCF)CCc1ccccc1 1458a_100000185753_100015922095 [0,0,0,0,0,2|2,0,0]=4 23093 B17R1.1287 O=C(CCCCCCF)COc1ccccc1 1458a_100000186222_100015922095 [0,0,0,0,0,2|2,0,0]=4 23094 B17R1.1287 O=C(CCCCCCF)CSc1ccccc1 1458a_100000211596_100015922095 [0,0,0,0,0,2|2,0,0]=4 23095 B17R1.1287 O=C(CCCCCCO)CCc1ccccc1 1458a_100000185753_100000766143 [0,0,0,0,0,2|2,0,0]=4 23096 B17R1.1287 O=C(CCCCCCO)CCc1ccccc1 1458a_100011996774_100000765856 [0,0,0,0,0,2|2,0,0]=4 23097 B17R1.1287 O=C(CCCCCCO)COc1ccccc1 1458a_100000186222_100000766143 [0,0,0,0,0,2|2,0,0]=4 23098 B17R1.1287 O=C(CCCCCCO)CSc1ccccc1 1458a_100000211596_100000766143 [0,0,0,0,0,2|2,0,0]=4 23099 B17R1.1287 O=C(CCCCCCO)NCc1ccccc1 240690a_100015324214_100011996774 [0,0,0,0,0,2|2,0,0]=4 23100 B17R1.1287 O=C(CCc1ccccc1)NCCCCCO 240690a_100000762737_100000185753 [0,0,0,0,0,2|2,0,0]=4 23101 B17R1.1287 O=C(COc1ccccc1)NCCCCCO 240690a_100000762737_100000186222 [0,0,0,0,0,2|2,0,0]=4 23102 B17R1.1287 O=C(CSc1ccccc1)NCCCCCO 240690a_100000762737_100000211596 [0,0,0,0,0,2|2,0,0]=4 23103 B17R1.1287 O=C(NCCCCCO)NCc1ccccc1 2708a_100015324214_100000762737 [0,0,0,0,0,2|2,0,0]=4 23104 B17R1.1287 O=C(NCCCCCO)NCc1ccccc1 273464a_100000762737_100015324214 [0,0,0,0,0,2|2,0,0]=4 23105 B17R1.1287 O=C(NCCCCCO)NCc1ccccc1 273464a_100015324214_100000762737 [0,0,0,0,0,2|2,0,0]=4 23106 B17R1.1287 O=C(NCCCCCO)NCc1ccccc1 512a_100000762737_100015324214 [0,0,0,0,0,2|2,0,0]=4 23107 B17R1.1287 O=C(NCCCCCO)NCc1ccccc1 512a_100015324214_100000762737 [0,0,0,0,0,2|2,0,0]=4 23108 B17R1.1287 O=C(NCCCCCO)NNc1ccccc1 273464a_100000762737_100015195140 [0,0,0,0,0,2|2,0,0]=4 23109 B17R1.1287 O=C(NCCCCCO)NNc1ccccc1 512a_100000762737_100015195140 [0,0,0,0,0,2|2,0,0]=4 23110 B17R1.1287 [13CH3]OCCCCNC(=O)OCc1ccccc1 34a_100011217940_200025704644 [0,0,0,0,0,2|2,0,0]=4 23111 B17R1.1287 [13CH3]OCCCCNC(=O)OCc1ccccc1 7a_100011217940_200025704644 [0,0,0,0,0,2|2,0,0]=4