0 B22R1.5535 CCCCCCCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210322 [0,0,0,1,0,0|1,0,2]=4 1 B22R1.5535 CCCCCCCCCCCCCCCN1CCNC(=O)C1 270004a_100000184651_100012088177 [0,0,0,1,0,0|1,0,2]=4 2 B22R1.5535 CCCCCCCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011215471 [0,0,0,1,0,0|1,0,2]=4 3 B22R1.5535 CCCCCCCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011215471 [0,0,0,1,0,0|1,0,2]=4 4 B22R1.5535 CCCCCCCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215471 [0,0,0,1,0,0|1,0,2]=4 5 B22R1.5535 CCCCCCCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210684 [0,0,0,1,0,0|1,0,2]=4 6 B22R1.41923 CCCC1CCCCN1CCCCCCCCC(=O)OCC 2230a_100000701414_100010175975 [0,0,0,1,0,0|2,0,1]=4 7 B22R1.41923 CCCC1CCCCN1CCCCCCCCC(=O)OCC 269982a_100000701414_100010175975 [0,0,0,1,0,0|2,0,1]=4 8 B22R1.41923 CCCC1CCCCN1CCCCCCCCC(=O)OCC 34a_100000701414_100010175975 [0,0,0,1,0,0|2,0,1]=4 9 B22R1.56806 CCOC(=O)CCCCCCCC=NNCC1CCCCC1 4a_100000740227_100102623289 [0,0,0,1,0,0|3,0,0]=4 10 B22R1.56806 CCOC(=O)CCCCCCCCNCCC1CCCCC1 2230a_100000738074_100010175975 [0,0,0,1,0,0|2,0,1]=4 11 B22R1.56806 CCOC(=O)CCCCCCCCNCCC1CCCCC1 34a_100000738074_100010175975 [0,0,0,1,0,0|2,0,1]=4 12 B22R1.56806 CCOC(=O)CCCCCCCNCCCC1CCCCC1 2230a_100011211642_100009991516 [0,0,0,1,0,0|2,0,1]=4 13 B22R1.56806 CCOC(=O)CCCCCCCNCCCC1CCCCC1 34a_100011211642_100009991516 [0,0,0,1,0,0|2,0,1]=4 14 B22R1.58447 CCOC(=O)CCCCCCCCNCCCC1CCCC1 2230a_100000736752_100010175975 [0,0,0,1,0,0|2,0,1]=4 15 B22R1.58447 CCOC(=O)CCCCCCCCNCCCC1CCCC1 34a_100000736752_100010175975 [0,0,0,1,0,0|2,0,1]=4 16 B22R1.858587 CCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100011215052 [0,0,0,1,0,0|1,0,2]=4 17 B22R1.858587 CCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000759014 [0,0,0,1,0,0|1,0,2]=4 18 B22R1.858587 CCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 270004a_100020641767_100011218549 [0,0,0,1,0,0|1,0,2]=4 19 B22R1.858587 CCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000759014 [0,0,0,1,0,0|1,0,2]=4 20 B22R1.1155969 CCOC(=O)CCCCCCCCNC1CCCCCCC1 2230a_100000211152_100010175975 [0,0,0,1,0,0|2,0,1]=4 21 B22R1.1155969 CCOC(=O)CCCCCCCCNC1CCCCCCC1 34a_100000211152_100010175975 [0,0,0,1,0,0|2,0,1]=4 22 B22R1.1156733 CCNC(=O)CNC1CCCCCCCCCCCCCC1 270004a_100016988866_100000040017 [0,0,0,1,0,0|1,0,2]=4 23 B22R1.1156733 CCNC(=O)COC1CCCCCCCCCCCCCC1 34a_200000037640_100000183381 [0,0,0,1,0,0|1,0,2]=4 24 B22R1.1156733 CCNC(=O)COC1CCCCCCCCCCCCCC1 7a_200000037640_100000183381 [0,0,0,1,0,0|1,0,2]=4 25 B22R1.1201012 CCOC(=O)CCCCCCCCN1CCCCCCCC1 2230a_100000039187_100010175975 [0,0,0,1,0,0|2,0,1]=4 26 B22R1.1201012 CCOC(=O)CCCCCCCCN1CCCCCCCC1 269982a_100000039187_100010175975 [0,0,0,1,0,0|2,0,1]=4 27 B22R1.1201012 CCOC(=O)CCCCCCCCN1CCCCCCCC1 34a_100000039187_100010175975 [0,0,0,1,0,0|2,0,1]=4 28 B22R1.1619126 CCCCCCCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011215471 [0,0,0,1,0,0|1,0,2]=4 29 B22R1.1619126 CCCCCCCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100011215471 [0,0,0,1,0,0|1,0,2]=4 30 B22R1.1619126 CCCCCCCCCCCCCCN1CCNC(=O)CC1 270004a_100000698595_200011216147 [0,0,0,1,0,0|1,0,2]=4 31 B22R1.1739186 CCOC(=O)CCCCCCCCNCC1CCCCCC1 2230a_100015204231_100010175975 [0,0,0,1,0,0|2,0,1]=4 32 B22R1.1739186 CCOC(=O)CCCCCCCCNCC1CCCCCC1 34a_100015204231_100010175975 [0,0,0,1,0,0|2,0,1]=4 33 B22R1.1739186 CCOC(=O)CCCCCCCNCCC1CCCCCC1 2230a_100011532351_100009991516 [0,0,0,1,0,0|2,0,1]=4 34 B22R1.1739186 CCOC(=O)CCCCCCCNCCC1CCCCCC1 34a_100011532351_100009991516 [0,0,0,1,0,0|2,0,1]=4 35 B19R0.148 CCCCCCCC/C=C/COCCCCC(=O)OC 34a_200020667288_100000204269 [2,0,0,0,0,0|2,0,0]=4 36 B19R0.148 CCCCCCCC/C=C/COCCCCC(=O)OC 7a_200020667288_100000204269 [2,0,0,0,0,0|2,0,0]=4 37 B19R0.182 CCCCCC/C=C/COCCCCCC(=O)OCC 34a_200016276170_100000755133 [2,0,0,0,0,0|2,0,0]=4 38 B19R0.182 CCCCCC/C=C/COCCCCCC(=O)OCC 7a_200016276170_100000755133 [2,0,0,0,0,0|2,0,0]=4 39 B19R0.182 CCCCCC/C=C\CCCCCCCC(=O)NNC 22a_100016993582_100020587579 [2,0,0,0,0,0|1,0,0]=3 40 B19R0.182 CCCCCCCC/C=C/COCCCC(=O)OCC 34a_200020667288_100009991533 [2,0,0,0,0,0|2,0,0]=4 41 B19R0.182 CCCCCCCC/C=C/COCCCC(=O)OCC 7a_200020667288_100011215271 [2,0,0,0,0,0|2,0,0]=4 42 B19R0.182 CCCCCCCCCCCCCCNC(=O)NNC 273464a_100011217771_100016993582 [2,0,0,0,0,0|2,0,0]=4 43 B19R0.182 CCCCCCCCCCCCCCNC(=O)NNC 512a_100011217771_100016993582 [2,0,0,0,0,0|2,0,0]=4 44 B19R0.182 CCCCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100011217771 [2,0,0,0,0,0|2,0,0]=4 45 B19R0.149 CCCCCCCC/C=C/COCCCCOC(=O)C 34a_200020667288_100000033659 [2,0,0,0,0,0|2,0,0]=4 46 B19R0.149 CCCCCCCC/C=C/COCCCCOC(=O)C 7a_200020667288_100000033659 [2,0,0,0,0,0|2,0,0]=4 47 B21R1.2931 CCCCCCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011215471 [1,0,0,1,0,0|1,0,1]=4 48 B21R1.2931 CCCCCCCCCCCCCCN1CCNC(=O)C1 270004a_100000184651_200011216147 [1,0,0,1,0,0|1,0,1]=4 49 B21R1.2931 CCCCCCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210684 [1,0,0,1,0,0|1,0,1]=4 50 B21R1.2931 CCCCCCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210684 [1,0,0,1,0,0|1,0,1]=4 51 B21R1.2931 CCCCCCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210684 [1,0,0,1,0,0|1,0,1]=4 52 B21R1.2931 CCCCCCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000759014 [1,0,0,1,0,0|1,0,1]=4 53 B21R1.17776 CCCCCCCCCCCCCCNC1CCNC1=O 2230a_100016995588_100011215471 [1,0,0,1,0,0|1,0,1]=4 54 B21R1.17776 CCCCCCCCCCCCCCNC1CCNC1=O 270004a_100016995588_200011216147 [1,0,0,1,0,0|1,0,1]=4 55 B21R1.17776 CCCCCCCCCCCCCCNC1CCNC1=O 34a_100016995588_100011215471 [1,0,0,1,0,0|1,0,1]=4 56 B21R1.17776 CCCCCCCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011215471 [1,0,0,1,0,0|1,0,1]=4 57 B21R1.17776 CCCCCCCCCCCCCOCC1CCNC1=O 34a_100000133458_100000210684 [1,0,0,1,0,0|1,0,1]=4 58 B21R1.18597 CCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100011215454 [1,0,0,1,0,0|1,0,1]=4 59 B21R1.18597 CCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100011215454 [1,0,0,1,0,0|1,0,1]=4 60 B21R1.18597 CCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100011215454 [1,0,0,1,0,0|1,0,1]=4 61 B21R1.39983 CCCC1CCCCN1CCCCCCCC(=O)OCC 2230a_100000701414_100009991516 [1,0,0,1,0,0|2,0,0]=4 62 B21R1.39983 CCCC1CCCCN1CCCCCCCC(=O)OCC 269982a_100000701414_100009991516 [1,0,0,1,0,0|2,0,0]=4 63 B21R1.39983 CCCC1CCCCN1CCCCCCCC(=O)OCC 34a_100000701414_100009991516 [1,0,0,1,0,0|2,0,0]=4 64 B21R1.43308 CCOC(=O)CCCCCCCNCCC1CCCCC1 2230a_100000738074_100009991516 [1,0,0,1,0,0|2,0,0]=4 65 B21R1.43308 CCOC(=O)CCCCCCCNCCC1CCCCC1 34a_100000738074_100009991516 [1,0,0,1,0,0|2,0,0]=4 66 B21R1.43308 CCOC(=O)CCCCCCCOCCC1CCCCC1 34a_100011217863_100009991516 [1,0,0,1,0,0|2,0,0]=4 67 B21R1.43308 CCOC(=O)CCCCCCCOCCC1CCCCC1 7a_100011217863_100009991516 [1,0,0,1,0,0|2,0,0]=4 68 B21R1.54526 CCOC(=O)CCCCCCCNCCCC1CCCC1 2230a_100000736752_100009991516 [1,0,0,1,0,0|2,0,0]=4 69 B21R1.54526 CCOC(=O)CCCCCCCNCCCC1CCCC1 34a_100000736752_100009991516 [1,0,0,1,0,0|2,0,0]=4 70 B21R1.54526 CCOC(=O)CCCCCCCOCCCC1CCCC1 34a_100011215328_100009991516 [1,0,0,1,0,0|2,0,0]=4 71 B21R1.54526 CCOC(=O)CCCCCCCOCCCC1CCCC1 7a_100011215328_100009991516 [1,0,0,1,0,0|2,0,0]=4 72 B21R1.55980 CCOC(=O)CCCCCCCOC1CCCCC1CC 34a_100000210738_100009991516 [1,0,0,1,0,0|2,0,0]=4 73 B21R1.55980 CCOC(=O)CCCCCCCOC1CCCCC1CC 7a_100000210738_100009991516 [1,0,0,1,0,0|2,0,0]=4 74 B21R1.819850 CCOC(=O)CCCCCCCNCC1CCCCCC1 2230a_100015204231_100009991516 [1,0,0,1,0,0|2,0,0]=4 75 B21R1.819850 CCOC(=O)CCCCCCCNCC1CCCCCC1 34a_100015204231_100009991516 [1,0,0,1,0,0|2,0,0]=4 76 B21R1.819850 CCOC(=O)CCCCCCCOCC1CCCCCC1 34a_100000699130_100009991516 [1,0,0,1,0,0|2,0,0]=4 77 B21R1.819850 CCOC(=O)CCCCCCCOCC1CCCCCC1 7a_100000699130_100009991516 [1,0,0,1,0,0|2,0,0]=4 78 B21R1.837459 CCOC(=O)CCCCCCCN1CCCCCCCC1 2230a_100000039187_100009991516 [1,0,0,1,0,0|2,0,0]=4 79 B21R1.837459 CCOC(=O)CCCCCCCN1CCCCCCCC1 269982a_100000039187_100009991516 [1,0,0,1,0,0|2,0,0]=4 80 B21R1.837459 CCOC(=O)CCCCCCCN1CCCCCCCC1 34a_100000039187_100009991516 [1,0,0,1,0,0|2,0,0]=4 81 B21R1.846938 CCOC(=O)CCCCCCCNC1CCCCCCC1 2230a_100000211152_100009991516 [1,0,0,1,0,0|2,0,0]=4 82 B21R1.846938 CCOC(=O)CCCCCCCNC1CCCCCCC1 34a_100000211152_100009991516 [1,0,0,1,0,0|2,0,0]=4 83 B21R1.987725 CCCCCCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210684 [1,0,0,1,0,0|1,0,1]=4 84 B21R1.987725 CCCCCCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210684 [1,0,0,1,0,0|1,0,1]=4 85 B21R1.987725 CCCCCCCCCCCCCN1CCNC(=O)CC1 270004a_100000698595_200011215488 [1,0,0,1,0,0|1,0,1]=4 86 B23R1.653919 CCCCCCCCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210322 [0,1,0,1,0,0|0,0,2]=4 87 B23R1.653919 CCCCCCCCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210322 [0,1,0,1,0,0|0,0,2]=4 88 B23R1.653919 CCCCCCCCCCCCCCCN1CCNC(=O)CC1 270004a_100000698595_100012088177 [0,1,0,1,0,0|0,0,2]=4 89 B23R1.1892203 CCCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210684 [0,1,0,1,0,0|0,0,2]=4 90 B23R1.1892203 CCCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210684 [0,1,0,1,0,0|0,0,2]=4 91 B23R1.1892203 CCCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 270004a_100020641767_200011215488 [0,1,0,1,0,0|0,0,2]=4 92 B23R1.1892203 CCCCCCCCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210684 [0,1,0,1,0,0|0,0,2]=4 93 B23R1.2356718 CCNC(=O)CCNC1CCCCCCCCCCCCCC1 270004a_100025743525_100000040017 [0,1,0,1,0,0|0,0,2]=4 94 B23R1.1236912 CCCCCCCCCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 1458a_100000093966_100000210670 [0,1,0,1,0,0|1,0,1]=4 95 B23R1.1236912 CCCCCCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 240690a_100000229939_100000093966 [0,1,0,1,0,0|2,0,0]=4 96 B23R1.1236912 CCCCCCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 527a_100000229939_100000093966 [0,1,0,1,0,0|2,0,0]=4 97 B20R0.3037 CCCCCCCC/C=C/COCCCCC(=O)N(C)C 34a_200020667288_100000752486 [2,1,0,0,0,0|1,0,0]=4 98 B20R0.3037 CCCCCCCC/C=C/COCCCCC(=O)N(C)C 7a_200020667288_100000752486 [2,1,0,0,0,0|1,0,0]=4 99 B20R0.32784 CCCCCC/C=C\CCCCC(C)NCC(=O)NCC 270004a_100016988866_100020676974 [2,1,0,0,0,0|1,0,0]=4 100 B20R1.250 CCCCCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210684 [2,0,0,1,0,0|1,0,0]=4 101 B20R1.250 CCCCCCCCCCCCCN1CCNC(=O)C1 270004a_100000184651_200011215488 [2,0,0,1,0,0|1,0,0]=4 102 B20R1.250 CCCCCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011215052 [2,0,0,1,0,0|1,0,0]=4 103 B20R1.250 CCCCCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000759014 [2,0,0,1,0,0|1,0,0]=4 104 B20R1.250 CCCCCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000759014 [2,0,0,1,0,0|1,0,0]=4 105 B20R1.250 CCCCCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100011215454 [2,0,0,1,0,0|1,0,0]=4 106 B20R1.49331 CCNC(=O)CCNC1CCCCCCCCCCC1 2230a_100011194316_100000737597 [2,0,0,1,0,0|1,0,0]=4 107 B20R1.49331 CCNC(=O)CCNC1CCCCCCCCCCC1 270004a_100025743525_100000210130 [2,0,0,1,0,0|1,0,0]=4 108 B20R1.49331 CCNC(=O)CCOC1CCCCCCCCCCC1 7a_100000211378_100000737597 [2,0,0,1,0,0|1,0,0]=4 109 B20R1.65980 CCCCCCCC1CCCC1NCCC(=O)NCC 269862a_100025743525_200011216720 [2,0,0,1,0,0|1,0,0]=4 110 B20R1.65980 CCCCCCCC1CCCC1NCCC(=O)NCC 270004a_100025743525_200011216720 [2,0,0,1,0,0|1,0,0]=4 111 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210320 [2,0,0,1,0,0|1,0,0]=4 112 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210320 [2,0,0,1,0,0|1,0,0]=4 113 B20R1.66753 CCCCCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210320 [2,0,0,1,0,0|1,0,0]=4 114 B22R1.273567 CCCCCCCCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 1458a_100000093966_100000210759 [1,1,0,1,0,0|1,0,0]=4