0 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,0,0,0,0,0|2,0,2]=4 4 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,0,0,0,0,0|2,0,2]=4 5 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,0,0,0,0,0|2,0,2]=4 6 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,0,0,0,0,0|2,0,2]=4 7 B12R0.1 C#CCCCCCCC(=O)C#CC 1458a_100000763181_100012276617 [0,0,0,0,0,0|1,0,3]=4 8 B12R0.1 C#CCCCCCCC(=O)C=CC 1458a_100000210699_100012276617 [0,0,0,0,0,0|1,0,3]=4 9 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,0,0,0,0,0|1,0,2]=3 10 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,0,0,0,0,0|1,0,2]=3 11 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,0,0,0,0,0|2,0,2]=4 12 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,0,0,0,0,0|2,0,2]=4 16 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,0,0,0,0,0|1,0,2]=3 17 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,0,0,0,0,0|1,0,2]=3 18 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,0,0,0,0,0|1,0,2]=3 19 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,0,0,0,0,0|2,0,2]=4 20 B12R0.1 C#CCCCCNCC(=O)CCC 2230a_100000706060_100000747444 [0,0,0,0,0,0|2,0,2]=4 21 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100000706060_100000183381 [0,0,0,0,0,0|2,0,2]=4 22 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100016988866_100010269958 [0,0,0,0,0,0|2,0,2]=4 23 B12R0.1 C#CCCCCNCC(=O)NCC 34a_100000706060_100000183381 [0,0,0,0,0,0|2,0,2]=4 24 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,0,0,0,0,0|1,0,2]=3 25 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,0,0,0,0,0|1,0,2]=3 26 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,0,0,0,0,0|2,0,2]=4 27 B12R0.1 C#CCCCCOCC(=O)NCC 34a_100000766709_100000183381 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.1 C#CCCCCOCC(=O)NCC 7a_100000766709_100000183381 [0,0,0,0,0,0|2,0,2]=4 29 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,0,0,0,0,0|1,0,2]=3 30 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,0,0,0,0,0|1,0,2]=3 31 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100000747444_100010269958 [0,0,0,0,0,0|2,0,2]=4 32 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100010269958_100000747444 [0,0,0,0,0,0|2,0,2]=4 33 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100000183381_100010269958 [0,0,0,0,0,0|2,0,2]=4 34 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100010269958_100000183381 [0,0,0,0,0,0|2,0,2]=4 35 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,0,0,0,0,0|1,0,2]=3 36 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,0,0,0,0,0|1,0,2]=3 37 B12R0.1 C#CCCCNCCC(=O)NCC 34a_100025743525_100000695029 [0,0,0,0,0,0|2,0,2]=4 38 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [0,0,0,0,0,0|1,0,2]=3 39 B12R0.1 C#CCCCOCCC(=O)NCC 7a_100000215630_100000737597 [0,0,0,0,0,0|2,0,2]=4 40 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [0,0,0,0,0,0|1,0,2]=3 41 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [0,0,0,0,0,0|1,0,2]=3 42 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100000737597_100011215417 [0,0,0,0,0,0|2,0,2]=4 43 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100011215417_100000737597 [0,0,0,0,0,0|2,0,2]=4 44 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [0,0,0,0,0,0|1,0,2]=3 45 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [0,0,0,0,0,0|1,0,2]=3 46 B12R0.1 C#CCCCSCOC(=O)OCC 62a_100011215417_100000075025 [0,0,0,0,0,0|2,0,2]=4 47 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [0,0,0,0,0,0|1,0,2]=3 48 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [0,0,0,0,0,0|1,0,2]=3 49 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [0,0,0,0,0,0|1,0,2]=3 50 B12R0.1 C#CCCOCCNC(=O)OCC 34a_100000158857_100000688953 [0,0,0,0,0,0|2,0,2]=4 51 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [0,0,0,0,0,0|1,0,2]=3 52 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [0,0,0,0,0,0|1,0,2]=3 53 B12R0.1 C#CCCSCCNC(=O)OCC 62a_100000688953_200011445536 [0,0,0,0,0,0|2,0,2]=4 54 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [0,0,0,0,0,0|1,0,2]=3 55 B12R0.1 C#CCNCCOCC(=O)OCC 34a_100000212058_100000088970 [0,0,0,0,0,0|2,0,2]=4 56 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [0,0,0,0,0,0|1,0,2]=3 57 B12R0.1 C#CCOCCNCC(=O)OCC 2230a_100000700922_100000188475 [0,0,0,0,0,0|2,0,2]=4 58 B12R0.1 C#CCOCCNCC(=O)OCC 34a_100000700922_100000188475 [0,0,0,0,0,0|2,0,2]=4 59 B12R0.1 C#CCOCCOCC(=O)OCC 34a_100000054580_100000188475 [0,0,0,0,0,0|2,0,2]=4 60 B12R0.1 C#CCOCCOCC(=O)OCC 34a_100000210247_100000088970 [0,0,0,0,0,0|2,0,2]=4 61 B12R0.1 C#CCOCCOCC(=O)OCC 7a_100000054580_100000188475 [0,0,0,0,0,0|2,0,2]=4 62 B12R0.1 C#CCOCCSCC(=O)OCC 62a_100000188475_100010402529 [0,0,0,0,0,0|2,0,2]=4 63 B12R0.1 C#CCOCCSCC(=O)OCC 62a_100010402529_100000188475 [0,0,0,0,0,0|2,0,2]=4 64 B12R0.1 C#CCOCCSCC(=O)OCC 7a_200000230590_100000038162 [0,0,0,0,0,0|2,0,2]=4 65 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [0,0,0,0,0,0|1,0,2]=3 66 B12R0.1 C#CCSCCOCC(=O)OCC 62a_100000038162_100000088970 [0,0,0,0,0,0|2,0,2]=4 67 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [0,0,0,0,0,0|1,0,2]=3 68 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,0,0,0,0,0|1,0,2]=3 69 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,0,0,0,0,0|1,0,2]=3 70 B12R0.1 C/C=C/COCCNC(=O)OCC 34a_100000158857_100102629194 [0,0,0,0,0,0|2,0,2]=4 71 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [0,0,0,0,0,0|1,0,2]=3 72 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [0,0,0,0,0,0|1,0,2]=3 73 B12R0.1 C/C=C/CSCCNC(=O)OCC 62a_100102629194_200011445536 [0,0,0,0,0,0|2,0,2]=4 74 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,0,0,0,0,0|1,0,2]=3 75 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,0,0,0,0,0|1,0,2]=3 76 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,0,0,0,0,0|2,0,2]=4 77 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,0,0,0,0,0|2,0,2]=4 78 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,0,0,0,0,0|2,0,2]=4 79 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,0,0,0,0,0|2,0,2]=4 80 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,0,0,0,0,0|2,0,2]=4 81 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,0,0,0,0,0|2,0,2]=4 82 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,0,0,0,0,0|2,0,2]=4 83 B12R0.1 C=CCCCCCCC(=O)C#CC 1458a_100000763181_100011215473 [0,0,0,0,0,0|1,0,3]=4 84 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,0,0,0,0,0|1,0,3]=4 85 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,0,0,0,0,0|1,0,2]=3 86 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,0,0,0,0,0|1,0,2]=3 87 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,0,0,0,0,0|2,0,2]=4 88 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,0,0,0,0,0|2,0,2]=4 89 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,0,0,0,0,0|2,0,2]=4 90 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,0,0,0,0,0|2,0,2]=4 91 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,0,0,0,0,0|2,0,2]=4 92 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,0,0,0,0,0|1,0,2]=3 93 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,0,0,0,0,0|1,0,2]=3 94 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,0,0,0,0,0|1,0,2]=3 95 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,0,0,0,0,0|2,0,2]=4 96 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,0,0,0,0,0|2,0,2]=4 97 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100000703577_100000183381 [0,0,0,0,0,0|2,0,2]=4 98 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100016988866_100011215482 [0,0,0,0,0,0|2,0,2]=4 99 B12R0.1 C=CCCCCNCC(=O)NCC 34a_100000703577_100000183381 [0,0,0,0,0,0|2,0,2]=4 100 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,0,0,0,0,0|1,0,2]=3 101 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,0,0,0,0,0|1,0,2]=3 102 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,0,0,0,0,0|2,0,2]=4 103 B12R0.1 C=CCCCCOCC(=O)NCC 34a_100000766645_100000183381 [0,0,0,0,0,0|2,0,2]=4 104 B12R0.1 C=CCCCCOCC(=O)NCC 7a_100000766645_100000183381 [0,0,0,0,0,0|2,0,2]=4 105 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,0,0,0,0,0|1,0,2]=3 106 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,0,0,0,0,0|1,0,2]=3 107 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,0,0,0,0,0|2,0,2]=4 108 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,0,0,0,0,0|2,0,2]=4 109 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100000183381_100011215482 [0,0,0,0,0,0|2,0,2]=4 110 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100011215482_100000183381 [0,0,0,0,0,0|2,0,2]=4 111 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,0,0,0,0,0|1,0,2]=3 112 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,0,0,0,0,0|1,0,2]=3 113 B12R0.1 C=CCCCNCCC(=O)NCC 2230a_100000700776_100000737597 [0,0,0,0,0,0|2,0,2]=4 114 B12R0.1 C=CCCCNCCC(=O)NCC 34a_100025743525_100000757094 [0,0,0,0,0,0|2,0,2]=4 115 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [0,0,0,0,0,0|1,0,2]=3 116 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [0,0,0,0,0,0|1,0,2]=3 117 B12R0.1 C=CCCCOCCC(=O)NCC 7a_100000758997_100000737597 [0,0,0,0,0,0|2,0,2]=4 118 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [0,0,0,0,0,0|1,0,2]=3 119 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [0,0,0,0,0,0|1,0,2]=3 120 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100000737597_100000757094 [0,0,0,0,0,0|2,0,2]=4 121 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100011713584_100000737597 [0,0,0,0,0,0|2,0,2]=4 122 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [0,0,0,0,0,0|1,0,2]=3 123 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [0,0,0,0,0,0|1,0,2]=3 124 B12R0.1 C=CCCCSCOC(=O)OCC 62a_100011713584_100000075025 [0,0,0,0,0,0|2,0,2]=4 125 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [0,0,0,0,0,0|1,0,2]=3 126 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,0,0,0,0,0|1,0,2]=3 127 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,0,0,0,0,0|1,0,2]=3 128 B12R0.1 C=CCCOCCNC(=O)OCC 34a_100000158857_100000754431 [0,0,0,0,0,0|2,0,2]=4 129 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [0,0,0,0,0,0|1,0,2]=3 130 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [0,0,0,0,0,0|1,0,2]=3 131 B12R0.1 C=CCCSCCNC(=O)OCC 62a_100000754431_200011445536 [0,0,0,0,0,0|2,0,2]=4 132 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [0,0,0,0,0,0|1,0,2]=3 133 B12R0.1 C=CCNCCOCC(=O)OCC 2230a_100020586998_100000088970 [0,0,0,0,0,0|2,0,2]=4 134 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,0,0,0,0,0|1,0,2]=3 135 B12R0.1 C=CCOCCOCC(=O)OCC 34a_100000037705_100000188475 [0,0,0,0,0,0|2,0,2]=4 136 B12R0.1 C=CCOCCOCC(=O)OCC 34a_200000210373_100000088970 [0,0,0,0,0,0|2,0,2]=4 137 B12R0.1 C=CCOCCOCC(=O)OCC 7a_100000037705_100000188475 [0,0,0,0,0,0|2,0,2]=4 138 B12R0.1 C=CCOCCSCC(=O)OCC 7a_200000230590_100015514636 [0,0,0,0,0,0|2,0,2]=4 139 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [0,0,0,0,0,0|1,0,2]=3 140 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [0,0,0,0,0,0|1,0,2]=3 141 B12R0.1 C=CCSCCOCC(=O)OCC 62a_100000088970_100000210623 [0,0,0,0,0,0|2,0,2]=4 142 B12R0.1 C=CCSCCOCC(=O)OCC 62a_100000210623_100000088970 [0,0,0,0,0,0|2,0,2]=4 143 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,0,0,0,0,0|1,0,2]=3 144 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,0,0,0,0,0|2,0,2]=4 145 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,0,0,0,0,0|2,0,2]=4 146 B12R0.1 C=COC(=O)CNCCCOCC 2230a_100000210961_100000036128 [0,0,0,0,0,0|2,0,2]=4 147 B12R0.1 C=COC(=O)CNCCCOCC 34a_100000210961_100000036128 [0,0,0,0,0,0|2,0,2]=4 148 B12R0.1 C=COC(=O)CNCCOCCC 2230a_100161115042_100000036128 [0,0,0,0,0,0|2,0,2]=4 149 B12R0.1 C=COC(=O)CNCCOCCC 34a_100161115042_100000036128 [0,0,0,0,0,0|2,0,2]=4 150 B12R0.1 C=COC(=O)CNCCSCCC 2230a_100020603323_100000036128 [0,0,0,0,0,0|2,0,2]=4 151 B12R0.1 C=COC(=O)COCCCCCBr 34a_100000746331_100000036128 [0,0,0,0,0,0|2,0,2]=4 152 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,0,0,0,0,0|1,0,2]=3 153 B12R0.1 C=COC(=O)COCCCCCCl 34a_100000746330_100000036128 [0,0,0,0,0,0|2,0,2]=4 154 B12R0.1 C=COC(=O)COCCCCCI 34a_200012148887_100000036128 [0,0,0,0,0,0|2,0,2]=4 155 B12R0.1 C=COC(=O)COCCCCCN 34a_100000762737_100000036128 [0,0,0,0,0,0|2,0,2]=4 156 B12R0.1 C=COC(=O)COCCCCOC 34a_100000740925_100000036128 [0,0,0,0,0,0|2,0,2]=4 157 B12R0.1 C=COC(=O)COCCCCSC 34a_100011217163_100000036128 [0,0,0,0,0,0|2,0,2]=4 158 B12R0.1 C=COC(=O)COCCCOCC 34a_100000757476_100000036128 [0,0,0,0,0,0|2,0,2]=4 159 B12R0.1 C=COC(=O)COCCCSCC 34a_100011216438_100000036128 [0,0,0,0,0,0|2,0,2]=4 160 B12R0.1 C=COC(=O)COCCOCCC 34a_100000752267_100000036128 [0,0,0,0,0,0|2,0,2]=4 161 B12R0.1 C=COC(=O)COCCSCCC 34a_200000230433_100000036128 [0,0,0,0,0,0|2,0,2]=4 162 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,0,0,0,0,0|1,0,2]=3 163 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,0,0,0,0,0|1,0,2]=3 164 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000036128_100000729378 [0,0,0,0,0,0|2,0,2]=4 165 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000729378_100000036128 [0,0,0,0,0,0|2,0,2]=4 166 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,0,0,0,0,0|2,0,2]=4 167 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,0,0,0,0,0|2,0,2]=4 168 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000036128_100000730899 [0,0,0,0,0,0|2,0,2]=4 169 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000730899_100000036128 [0,0,0,0,0,0|2,0,2]=4 170 B12R0.1 C=COC(=O)CSCCCOCC 62a_100000036128_100012232248 [0,0,0,0,0,0|2,0,2]=4 171 B12R0.1 C=COC(=O)CSCCCOCC 62a_100012232248_100000036128 [0,0,0,0,0,0|2,0,2]=4 172 B12R0.1 C=COC(=O)CSCCOCCC 62a_100000036128_100011215938 [0,0,0,0,0,0|2,0,2]=4 173 B12R0.1 C=COC(=O)CSCCOCCC 62a_100011215938_100000036128 [0,0,0,0,0,0|2,0,2]=4 174 B12R0.1 C=COC(=O)CSCOCCCC 62a_100000036128_100011995733 [0,0,0,0,0,0|2,0,2]=4 175 B12R0.1 C=COC(=O)CSCOCCCC 62a_100011995733_100000036128 [0,0,0,0,0,0|2,0,2]=4 176 B12R0.1 C=COCCCNCC(=O)OCC 2230a_100000210767_100000188475 [0,0,0,0,0,0|2,0,2]=4 177 B12R0.1 C=COCCCNCC(=O)OCC 34a_100000210767_100000188475 [0,0,0,0,0,0|2,0,2]=4 178 B12R0.1 C=COCCOCCC(=O)OCC 34a_100000033082_100000765890 [0,0,0,0,0,0|2,0,2]=4 179 B12R0.1 C=COCCSCCC(=O)OCC 62a_100000039644_100000765890 [0,0,0,0,0,0|2,0,2]=4 180 B12R0.1 C=COCCSCCC(=O)OCC 62a_100000765890_100000039644 [0,0,0,0,0,0|2,0,2]=4 181 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,0,0,0,0,0|1,0,3]=4 182 B12R0.1 CC#CC(=O)CCCCCCC#N 1458a_100000763181_100009813337 [0,0,0,0,0,0|2,0,2]=4 183 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,0,0,0,0,0|1,0,1]=2 184 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,0,0,0,0,0|2,0,1]=3 185 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,0,0,0,0,0|2,0,1]=3 186 B12R0.1 CC#CC(=O)CCCOCCOC 1458a_100000763181_100011216529 [0,0,0,0,0,0|3,0,1]=4 187 B12R0.1 CC#CC(=O)CCOCCOCC 1458a_100000763181_100011211534 [0,0,0,0,0,0|3,0,1]=4 188 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [0,0,0,0,0,0|1,0,2]=3 189 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [0,0,0,0,0,0|1,0,2]=3 190 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [0,0,0,0,0,0|1,0,2]=3 191 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [0,0,0,0,0,0|1,0,2]=3 192 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [0,0,0,0,0,0|1,0,2]=3 193 B12R0.1 CC#CCOCCNC(=O)OCC 34a_100000158857_100000748600 [0,0,0,0,0,0|2,0,2]=4 194 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [0,0,0,0,0,0|1,0,2]=3 195 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [0,0,0,0,0,0|1,0,2]=3 196 B12R0.1 CC#CCSCCNC(=O)OCC 62a_100000748600_200011445536 [0,0,0,0,0,0|2,0,2]=4 197 B12R0.1 CC/C=C\CCNCC(=O)NCC 2230a_100016988866_100015370543 [0,0,0,0,0,0|2,0,2]=4 198 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,0,0,0,0,0|2,0,2]=4 199 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,0,0,0,0,0|2,0,2]=4 200 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,0,0,0,0,0|2,0,2]=4 201 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,0,0,0,0,0|1,0,2]=3 202 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,0,0,0,0,0|1,0,2]=3 203 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,0,0,0,0,0|2,0,2]=4 204 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,0,0,0,0,0|2,0,2]=4 205 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100000183381_100015370543 [0,0,0,0,0,0|2,0,2]=4 206 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100015370543_100000183381 [0,0,0,0,0,0|2,0,2]=4 207 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,0,0,0,0,0|1,0,2]=3 208 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,0,0,0,0,0|1,0,2]=3 209 B12R0.1 CC/C=C\CNCCC(=O)NCC 34a_100025743525_100103147603 [0,0,0,0,0,0|2,0,2]=4 210 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,0,0,0,0,0|1,0,2]=3 211 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100000737597_100103147603 [0,0,0,0,0,0|2,0,2]=4 212 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100103147603_100000737597 [0,0,0,0,0,0|2,0,2]=4 213 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,0,0,0,0,0|1,0,2]=3 214 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,0,0,0,0,0|1,0,2]=3 215 B12R0.1 CC/C=C\CSCOC(=O)OCC 62a_100103147603_100000075025 [0,0,0,0,0,0|2,0,2]=4 216 B12R0.1 CC=C=CCCOCC(=O)OCC 34a_100011020354_100000188475 [0,0,0,0,0,0|1,0,3]=4 217 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,0,0,0,0,0|1,0,3]=4 218 B12R0.1 CC=CC(=O)CCCCCCC#N 1458a_100000210699_100009813337 [0,0,0,0,0,0|2,0,2]=4 219 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,0,0,0,0,0|1,0,1]=2 220 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,0,0,0,0,0|2,0,1]=3 221 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,0,0,0,0,0|2,0,1]=3 222 B12R0.1 CC=CC(=O)CCCOCCOC 1458a_100000210699_100011216529 [0,0,0,0,0,0|3,0,1]=4 223 B12R0.1 CC=CC(=O)CCOCCOCC 1458a_100000210699_100011211534 [0,0,0,0,0,0|3,0,1]=4 224 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,0,0,0,0,0|2,0,1]=3 225 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,0,0,0,0,0|2,0,1]=3 226 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,0,0,0,0,0|2,0,1]=3 227 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,0,0,0,0,0|3,0,1]=4 228 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,0,0,0,0,0|3,0,1]=4 229 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,0,0,0,0,0|3,0,1]=4 230 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,0,0,0,0,0|3,0,1]=4 231 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,0,0,0,0,0|3,0,1]=4 232 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,0,0,0,0,0|3,0,1]=4 233 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,0,0,0,0,0|3,0,1]=4 234 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,0,0,0,0,0|3,0,1]=4 235 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,0,0,0,0,0|3,0,1]=4 236 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,0,0,0,0,0|2,0,2]=4 237 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,0,0,0,0,0|1,0,2]=3 238 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,0,0,0,0,0|1,0,2]=3 239 B12R0.1 CC=CCOCCNC(=O)OCC 34a_100000158857_100000070051 [0,0,0,0,0,0|2,0,2]=4 240 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [0,0,0,0,0,0|1,0,2]=3 241 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [0,0,0,0,0,0|1,0,2]=3 242 B12R0.1 CC=CCSCCNC(=O)OCC 62a_100000070051_200011445536 [0,0,0,0,0,0|2,0,2]=4 243 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,0,0,0,0,0|2,0,2]=4 244 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,0,0,0,0,0|2,0,2]=4 245 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,0,0,0,0,0|2,0,2]=4 246 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,0,0,0,0,0|1,0,2]=3 247 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,0,0,0,0,0|1,0,2]=3 248 B12R0.1 CCC#CCNCCC(=O)NCC 34a_100025743525_100009813939 [0,0,0,0,0,0|2,0,2]=4 249 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [0,0,0,0,0,0|1,0,2]=3 250 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100000737597_100009813939 [0,0,0,0,0,0|2,0,2]=4 251 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100009813939_100000737597 [0,0,0,0,0,0|2,0,2]=4 252 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [0,0,0,0,0,0|1,0,2]=3 253 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [0,0,0,0,0,0|1,0,2]=3 254 B12R0.1 CCC#CCSCOC(=O)OCC 62a_100009813939_100000075025 [0,0,0,0,0,0|2,0,2]=4 255 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,0,0,0,0,0|2,0,2]=4 256 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,0,0,0,0,0|2,0,2]=4 257 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,0,0,0,0,0|2,0,2]=4 258 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,0,0,0,0,0|1,0,2]=3 259 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,0,0,0,0,0|1,0,2]=3 260 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,0,0,0,0,0|2,0,2]=4 261 B12R0.1 CCCC#CCOCC(=O)NCC 34a_100000034806_100000183381 [0,0,0,0,0,0|2,0,2]=4 262 B12R0.1 CCCC#CCOCC(=O)NCC 7a_100000034806_100000183381 [0,0,0,0,0,0|2,0,2]=4 263 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,0,0,0,0,0|1,0,2]=3 264 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,0,0,0,0,0|1,0,2]=3 265 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,0,0,0,0,0|2,0,1]=3 266 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,0,0,0,0,0|2,0,0]=2 267 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,0,0,0,0,0|2,0,0]=2 268 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,0,0,0,0,0|2,0,0]=2 269 B12R0.1 CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210303 [0,0,0,0,0,0|4,0,0]=4 270 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,0,0,0,0,0|3,0,0]=3 271 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,0,0,0,0,0|3,0,0]=3 272 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,0,0,0,0,0|3,0,0]=3 273 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,0,0,0,0,0|3,0,0]=3 274 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,0,0,0,0,0|4,0,0]=4 275 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,0,0,0,0,0|4,0,0]=4 276 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,0,0,0,0,0|3,0,0]=3 277 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,0,0,0,0,0|3,0,0]=3 278 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,0,0,0,0,0|3,0,0]=3 279 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,0,0,0,0,0|3,0,0]=3 280 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,0,0,0,0,0|3,0,0]=3 281 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,0,0,0,0,0|3,0,0]=3 282 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,0,0,0,0,0|4,0,0]=4 283 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,0,0,0,0,0|4,0,0]=4 284 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,0,0,0,0,0|4,0,0]=4 285 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,0,0,0,0,0|4,0,0]=4 286 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,0,0,0,0,0|4,0,0]=4 287 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100000747444_100000211819 [0,0,0,0,0,0|3,0,1]=4 288 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100011219923_100000747444 [0,0,0,0,0,0|3,0,1]=4 289 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,0,0,0,0,0|3,0,1]=4 290 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,0,0,0,0,0|3,0,1]=4 291 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,0,0,0,0,0|3,0,0]=3 292 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,0,0,0,0,0|3,0,0]=3 293 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,0,0,0,0,0|3,0,0]=3 294 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,0,0,0,0,0|3,0,0]=3 295 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,0,0,0,0,0|3,0,0]=3 296 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,0,0,0,0,0|3,0,0]=3 297 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,0,0,0,0,0|3,0,0]=3 298 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,0,0,0,0,0|3,0,0]=3 299 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,0,0,0,0,0|4,0,0]=4 300 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,0,0,0,0,0|4,0,0]=4 301 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [0,0,0,0,0,0|4,0,0]=4 302 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [0,0,0,0,0,0|4,0,0]=4 303 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,0,0,0,0,0|3,0,1]=4 304 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,0,0,0,0,0|3,0,1]=4 305 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,0,0,0,0,0|3,0,1]=4 306 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,0,0,0,0,0|3,0,1]=4 307 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,0,0,0,0,0|3,0,0]=3 308 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,0,0,0,0,0|3,0,0]=3 309 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,0,0,0,0,0|3,0,0]=3 310 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,0,0,0,0,0|3,0,0]=3 311 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,0,0,0,0,0|3,0,0]=3 312 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,0,0,0,0,0|3,0,0]=3 313 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,0,0,0,0,0|4,0,0]=4 314 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,0,0,0,0,0|4,0,0]=4 315 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,0,0,0,0,0|4,0,0]=4 316 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,0,0,0,0,0|4,0,0]=4 317 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,0,0,0,0,0|4,0,0]=4 318 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,0,0,0,0,0|4,0,0]=4 319 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,0,0,0,0,0|4,0,0]=4 320 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,0,0,0,0,0|4,0,0]=4 321 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,0,0,0,0,0|4,0,0]=4 322 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,0,0,0,0,0|4,0,0]=4 323 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,0,0,0,0,0|4,0,0]=4 324 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,0,0,0,0,0|4,0,0]=4 325 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,0,0,0,0,0|4,0,0]=4 326 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,0,0,0,0,0|4,0,0]=4 327 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,0,0,0,0,0|4,0,0]=4 328 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,0,0,0,0,0|4,0,0]=4 329 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,0,0,0,0,0|4,0,0]=4 330 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,0,0,0,0,0|4,0,0]=4 331 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,0,0,0,0,0|4,0,0]=4 332 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,0,0,0,0,0|4,0,0]=4 333 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,0,0,0,0,0|4,0,0]=4 334 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,0,0,0,0,0|4,0,0]=4 335 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,0,0,0,0,0|4,0,0]=4 336 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,0,0,0,0,0|4,0,0]=4 337 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,0,0,0,0,0|4,0,0]=4 338 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,0,0,0,0,0|4,0,0]=4 339 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,0,0,0,0,0|1,0,2]=3 340 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,0,0,0,0,0|2,0,2]=4 341 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,0,0,0,0,0|2,0,2]=4 342 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,0,0,0,0,0|1,0,2]=3 343 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,0,0,0,0,0|1,0,2]=3 344 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,0,0,0,0,0|2,0,2]=4 345 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,0,0,0,0,0|1,0,2]=3 346 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,0,0,0,0,0|2,0,2]=4 347 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,0,0,0,0,0|2,0,2]=4 348 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,0,0,0,0,0|2,0,2]=4 349 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,0,0,0,0,0|3,0,1]=4 350 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,0,0,0,0,0|1,0,2]=3 351 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,0,0,0,0,0|2,0,2]=4 352 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,0,0,0,0,0|2,0,2]=4 353 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,0,0,0,0,0|1,0,2]=3 354 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,0,0,0,0,0|1,0,2]=3 355 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,0,0,0,0,0|2,0,2]=4 356 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,0,0,0,0,0|2,0,1]=3 357 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,0,0,0,0,0|2,0,1]=3 358 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,0,0,0,0,0|2,0,1]=3 359 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,0,0,0,0,0|2,0,1]=3 360 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,0,0,0,0,0|2,0,1]=3 361 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,0,0,0,0,0|1,0,0]=1 362 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,0,0,0,0,0|1,0,0]=1 363 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,0,0,0,0,0|2,0,0]=2 364 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,0,0,0,0,0|2,0,0]=2 365 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,0,0,0,0,0|2,0,0]=2 366 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,0,0,0,0,0|2,0,0]=2 367 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,0,0,0,0,0|2,0,0]=2 368 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,0,0,0,0,0|1,0,0]=1 369 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,0,0,0,0,0|1,0,0]=1 370 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,0,0,0,0,0|1,0,0]=1 371 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,0,0,0,0,0|2,0,0]=2 372 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,0,0,0,0,0|3,0,1]=4 373 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,0,0,0,0,0|3,0,1]=4 374 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,0,0,0,0,0|3,0,1]=4 375 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,0,0,0,0,0|3,0,1]=4 376 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,0,0,0,0,0|3,0,1]=4 377 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,0,0,0,0,0|2,0,1]=3 378 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,0,0,0,0,0|1,0,1]=2 379 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,0,0,0,0,0|1,0,1]=2 380 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,0,0,0,0,0|2,0,1]=3 381 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,0,0,0,0,0|2,0,1]=3 382 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,0,0,0,0,0|3,0,0]=3 383 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,0,0,0,0,0|3,0,0]=3 384 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,0,0,0,0,0|3,0,0]=3 385 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,0,0,0,0,0|3,0,0]=3 386 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,0,0,0,0,0|4,0,0]=4 387 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,0,0,0,0,0|4,0,0]=4 388 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,0,0,0,0,0|4,0,0]=4 389 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,0,0,0,0,0|4,0,0]=4 390 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,0,0,0,0,0|4,0,0]=4 391 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,0,0,0,0,0|4,0,0]=4 392 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,0,0,0,0,0|4,0,0]=4 393 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,0,0,0,0,0|4,0,0]=4 394 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,0,0,0,0,0|4,0,0]=4 395 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,0,0,0,0,0|4,0,0]=4 396 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,0,0,0,0,0|3,0,1]=4 397 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,0,0,0,0,0|3,0,1]=4 398 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,0,0,0,0,0|3,0,1]=4 399 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,0,0,0,0,0|3,0,1]=4 400 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,0,0,0,0,0|3,0,1]=4 401 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,0,0,0,0,0|3,0,1]=4 402 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,0,0,0,0,0|3,0,1]=4 403 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,0,0,0,0,0|3,0,1]=4 404 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,0,0,0,0,0|2,0,0]=2 405 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,0,0,0,0,0|2,0,0]=2 406 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,0,0,0,0,0|2,0,0]=2 407 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,0,0,0,0,0|2,0,0]=2 408 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,0,0,0,0,0|3,0,0]=3 409 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,0,0,0,0,0|3,0,0]=3 410 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,0,0,0,0,0|3,0,0]=3 411 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,0,0,0,0,0|3,0,0]=3 412 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,0,0,0,0,0|3,0,0]=3 413 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,0,0,0,0,0|3,0,0]=3 414 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,0,0,0,0,0|3,0,0]=3 415 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,0,0,0,0,0|3,0,0]=3 416 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,0,0,0,0,0|3,0,0]=3 417 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,0,0,0,0,0|2,0,0]=2 418 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,0,0,0,0,0|2,0,0]=2 419 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,0,0,0,0,0|2,0,0]=2 420 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,0,0,0,0,0|2,0,0]=2 421 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,0,0,0,0,0|2,0,0]=2 422 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,0,0,0,0,0|2,0,0]=2 423 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,0,0,0,0,0|3,0,0]=3 424 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,0,0,0,0,0|3,0,0]=3 425 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,0,0,0,0,0|3,0,0]=3 426 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,0,0,0,0,0|3,0,1]=4 427 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,0,0,0,0,0|3,0,1]=4 428 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,0,0,0,0,0|3,0,1]=4 429 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,0,0,0,0,0|3,0,1]=4 430 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,0,0,0,0,0|3,0,1]=4 431 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,0,0,0,0,0|3,0,1]=4 432 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,0,0,0,0,0|3,0,1]=4 433 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,0,0,0,0,0|3,0,1]=4 434 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,0,0,0,0,0|3,0,1]=4 435 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,0,0,0,0,0|2,0,0]=2 436 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,0,0,0,0,0|2,0,0]=2 437 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,0,0,0,0,0|2,0,0]=2 438 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,0,0,0,0,0|3,0,0]=3 439 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,0,0,0,0,0|1,0,0]=1 440 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,0,0,0,0,0|3,0,1]=4 441 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,0,0,0,0,0|3,0,1]=4 442 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,0,0,0,0,0|2,0,0]=2 443 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,0,0,0,0,0|2,0,0]=2 444 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,0,0,0,0,0|2,0,0]=2 445 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,0,0,0,0,0|3,0,0]=3 446 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,0,0,0,0,0|3,0,0]=3 447 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,0,0,0,0,0|1,0,0]=1 448 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,0,0,0,0,0|1,0,0]=1 449 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,0,0,0,0,0|3,0,1]=4 450 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,0,0,0,0,0|3,0,1]=4 451 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,0,0,0,0,0|3,0,1]=4 452 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,0,0,0,0,0|3,0,1]=4 453 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,0,0,0,0,0|3,0,1]=4 454 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,0,0,0,0,0|2,0,0]=2 455 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,0,0,0,0,0|2,0,0]=2 456 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,0,0,0,0,0|2,0,0]=2 457 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,0,0,0,0,0|2,0,0]=2 458 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,0,0,0,0,0|3,0,0]=3 459 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,0,0,0,0,0|3,0,0]=3 460 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,0,0,0,0,0|1,0,0]=1 461 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,0,0,0,0,0|1,0,0]=1 462 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,0,0,0,0,0|3,0,1]=4 463 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,0,0,0,0,0|3,0,1]=4 464 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,0,0,0,0,0|2,0,0]=2 465 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,0,0,0,0,0|2,0,0]=2 466 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,0,0,0,0,0|1,0,0]=1 467 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,0,0,0,0,0|3,0,0]=3 468 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,0,0,0,0,0|2,0,1]=3 469 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,0,0,0,0,0|2,0,0]=2 470 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,0,0,0,0,0|1,0,0]=1 471 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,0,0,0,0,0|1,0,0]=1 472 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,0,0,0,0,0|3,0,1]=4 473 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,0,0,0,0,0|3,0,1]=4 474 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,0,0,0,0,0|3,0,1]=4 475 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,0,0,0,0,0|3,0,0]=3 476 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,0,0,0,0,0|2,0,0]=2 477 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,0,0,0,0,0|2,0,0]=2 478 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,0,0,0,0,0|1,0,0]=1 479 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,0,0,0,0,0|1,0,0]=1 480 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,0,0,0,0,0|3,0,0]=3 481 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,0,0,0,0,0|2,0,0]=2 482 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,0,0,0,0,0|1,0,2]=3 483 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,0,0,0,0,0|1,0,2]=3 484 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,0,0,0,0,0|1,0,0]=1 485 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,0,0,0,0,0|1,0,0]=1 486 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,0,0,0,0,0|2,0,0]=2 487 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,0,0,0,0,0|2,0,2]=4 488 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,0,0,0,0,0|1,0,2]=3 489 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,0,0,0,0,0|1,0,2]=3 490 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,0,0,0,0,0|1,0,0]=1 491 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,0,0,0,0,0|1,0,0]=1 492 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,0,0,0,0,0|1,0,0]=1 493 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,0,0,0,0,0|3,0,1]=4 494 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,0,0,0,0,0|3,0,1]=4 495 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,0,0,0,0,0|2,0,0]=2 496 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,0,0,0,0,0|2,0,0]=2 497 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,0,0,0,0,0|3,0,0]=3 498 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,0,0,0,0,0|3,0,0]=3 499 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,0,0,0,0,0|3,0,0]=3 500 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,0,0,0,0,0|3,0,0]=3 501 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,0,0,0,0,0|3,0,0]=3 502 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,0,0,0,0,0|4,0,0]=4 503 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,0,0,0,0,0|4,0,0]=4 504 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,0,0,0,0,0|2,0,0]=2 505 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,0,0,0,0,0|2,0,0]=2 506 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,0,0,0,0,0|1,0,2]=3 507 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,0,0,0,0,0|1,0,2]=3 508 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,0,0,0,0,0|1,0,0]=1 509 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,0,0,0,0,0|1,0,0]=1 510 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,0,0,0,0,0|3,0,0]=3 511 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,0,0,0,0,0|3,0,0]=3 512 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,0,0,0,0,0|3,0,0]=3 513 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,0,0,0,0,0|3,0,0]=3 514 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,0,0,0,0,0|4,0,0]=4 515 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,0,0,0,0,0|4,0,0]=4 516 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,0,0,0,0,0|4,0,0]=4 517 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,0,0,0,0,0|4,0,0]=4 518 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,0,0,0,0,0|4,0,0]=4 519 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,0,0,0,0,0|4,0,0]=4 520 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,0,0,0,0,0|4,0,0]=4 521 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,0,0,0,0,0|4,0,0]=4 522 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,0,0,0,0,0|4,0,0]=4 523 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,0,0,0,0,0|3,0,0]=3 524 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,0,0,0,0,0|3,0,0]=3 525 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,0,0,0,0,0|3,0,0]=3 526 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,0,0,0,0,0|3,0,0]=3 527 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,0,0,0,0,0|3,0,0]=3 528 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,0,0,0,0,0|3,0,0]=3 529 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,0,0,0,0,0|4,0,0]=4 530 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,0,0,0,0,0|4,0,0]=4 531 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,0,0,0,0,0|4,0,0]=4 532 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,0,0,0,0,0|2,0,0]=2 533 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,0,0,0,0,0|4,0,0]=4 534 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,0,0,0,0,0|4,0,0]=4 535 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,0,0,0,0,0|4,0,0]=4 536 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,0,0,0,0,0|4,0,0]=4 537 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,0,0,0,0,0|1,0,0]=1 538 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,0,0,0,0,0|3,0,0]=3 539 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,0,0,0,0,0|3,0,0]=3 540 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,0,0,0,0,0|3,0,0]=3 541 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,0,0,0,0,0|4,0,0]=4 542 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,0,0,0,0,0|4,0,0]=4 543 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,0,0,0,0,0|4,0,0]=4 544 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,0,0,0,0,0|4,0,0]=4 545 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,0,0,0,0,0|4,0,0]=4 546 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,0,0,0,0,0|4,0,0]=4 547 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,0,0,0,0,0|4,0,0]=4 548 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,0,0,0,0,0|3,0,0]=3 549 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,0,0,0,0,0|3,0,0]=3 550 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,0,0,0,0,0|3,0,0]=3 551 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,0,0,0,0,0|3,0,0]=3 552 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,0,0,0,0,0|3,0,0]=3 553 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,0,0,0,0,0|3,0,0]=3 554 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,0,0,0,0,0|4,0,0]=4 555 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,0,0,0,0,0|4,0,0]=4 556 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,0,0,0,0,0|4,0,0]=4 557 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,0,0,0,0,0|3,0,0]=3 558 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,0,0,0,0,0|3,0,0]=3 559 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,0,0,0,0,0|3,0,0]=3 560 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,0,0,0,0,0|3,0,0]=3 561 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,0,0,0,0,0|4,0,0]=4 562 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,0,0,0,0,0|4,0,0]=4 563 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,0,0,0,0,0|2,0,0]=2 564 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,0,0,0,0,0|2,0,0]=2 565 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,0,0,0,0,0|3,0,0]=3 566 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,0,0,0,0,0|3,0,0]=3 567 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,0,0,0,0,0|3,0,0]=3 568 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,0,0,0,0,0|4,0,0]=4 569 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,0,0,0,0,0|4,0,0]=4 570 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,0,0,0,0,0|2,0,0]=2 571 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,0,0,0,0,0|2,0,0]=2 572 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,0,0,0,0,0|2,0,0]=2 573 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,0,0,0,0,0|3,0,0]=3 574 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,0,0,0,0,0|3,0,0]=3 575 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,0,0,0,0,0|3,0,0]=3 576 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,0,0,0,0,0|3,0,0]=3 577 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,0,0,0,0,0|4,0,0]=4 578 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,0,0,0,0,0|4,0,0]=4 579 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,0,0,0,0,0|2,0,0]=2 580 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,0,0,0,0,0|2,0,0]=2 581 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,0,0,0,0,0|2,0,0]=2 582 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [0,0,0,0,0,0|3,0,1]=4 583 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,0,0,0,0,0|1,0,0]=1 584 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,0,0,0,0,0|1,0,0]=1 585 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,0,0,0,0,0|3,0,0]=3 586 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,0,0,0,0,0|3,0,0]=3 587 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,0,0,0,0,0|4,0,0]=4 588 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,0,0,0,0,0|2,0,0]=2 589 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,0,0,0,0,0|3,0,0]=3 590 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,0,0,0,0,0|3,0,0]=3 591 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,0,0,0,0,0|3,0,0]=3 592 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,0,0,0,0,0|4,0,0]=4 593 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,0,0,0,0,0|4,0,0]=4 594 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,0,0,0,0,0|2,0,0]=2 595 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,0,0,0,0,0|2,0,0]=2 596 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,0,0,0,0,0|2,0,0]=2 597 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,0,0,0,0,0|2,0,0]=2 598 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,0,0,0,0,0|2,0,0]=2 599 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 11a_100015525214_100009870042 [0,0,0,0,0,0|4,0,0]=4 600 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 240690a_100015525214_100009870042 [0,0,0,0,0,0|4,0,0]=4 601 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 527a_100015525214_100009870042 [0,0,0,0,0,0|4,0,0]=4 602 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,0,0,0,0,0|3,0,0]=3 603 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,0,0,0,0,0|3,0,0]=3 604 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,0,0,0,0,0|3,0,0]=3 605 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,0,0,0,0,0|3,0,0]=3 606 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,0,0,0,0,0|3,0,0]=3 607 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,0,0,0,0,0|3,0,0]=3 608 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,0,0,0,0,0|3,0,0]=3 609 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,0,0,0,0,0|3,0,0]=3 610 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,0,0,0,0,0|3,0,0]=3 611 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,0,0,0,0,0|3,0,0]=3 612 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,0,0,0,0,0|3,0,0]=3 613 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,0,0,0,0,0|3,0,0]=3 614 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,0,0,0,0,0|3,0,0]=3 615 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,0,0,0,0,0|3,0,0]=3 616 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000687738_100000737597 [0,0,0,0,0,0|3,0,1]=4 617 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000737597_100000687738 [0,0,0,0,0,0|3,0,1]=4 618 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,0,0,0,0,0|3,0,1]=4 619 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,0,0,0,0,0|3,0,1]=4 620 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,0,0,0,0,0|3,0,0]=3 621 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,0,0,0,0,0|3,0,0]=3 622 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,0,0,0,0,0|3,0,0]=3 623 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,0,0,0,0,0|3,0,0]=3 624 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,0,0,0,0,0|3,0,0]=3 625 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,0,0,0,0,0|3,0,0]=3 626 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,0,0,0,0,0|3,0,0]=3 627 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,0,0,0,0,0|3,0,0]=3 628 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,0,0,0,0,0|3,0,0]=3 629 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,0,0,0,0,0|3,0,0]=3 630 B12R0.1 CCNC(=O)CNCCCCC#N 2230a_100016988866_100000211819 [0,0,0,0,0,0|3,0,1]=4 631 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,0,0,0,0,0|3,0,1]=4 632 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,0,0,0,0,0|3,0,0]=3 633 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,0,0,0,0,0|3,0,0]=3 634 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,0,0,0,0,0|3,0,0]=3 635 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,0,0,0,0,0|3,0,0]=3 636 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,0,0,0,0,0|3,0,0]=3 637 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,0,0,0,0,0|3,0,0]=3 638 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,0,0,0,0,0|3,0,0]=3 639 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,0,0,0,0,0|3,0,0]=3 640 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100000211614_100000183381 [0,0,0,0,0,0|4,0,0]=4 641 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100016988866_100011215305 [0,0,0,0,0,0|4,0,0]=4 642 B12R0.1 CCNC(=O)CNCCOCCO 34a_100000211614_100000183381 [0,0,0,0,0,0|4,0,0]=4 643 B12R0.1 CCNC(=O)CNCCSCCO 2230a_100011219999_100000183381 [0,0,0,0,0,0|4,0,0]=4 644 B12R0.1 CCNC(=O)CNCOCCOC 2230a_100016988866_100000231047 [0,0,0,0,0,0|4,0,0]=4 645 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,0,0,0,0,0|3,0,0]=3 646 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,0,0,0,0,0|3,0,0]=3 647 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,0,0,0,0,0|3,0,0]=3 648 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,0,0,0,0,0|3,0,0]=3 649 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,0,0,0,0,0|3,0,0]=3 650 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,0,0,0,0,0|3,0,0]=3 651 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,0,0,0,0,0|3,0,0]=3 652 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,0,0,0,0,0|3,0,0]=3 653 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,0,0,0,0,0|3,0,0]=3 654 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,0,0,0,0,0|3,0,0]=3 655 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,0,0,0,0,0|3,0,0]=3 656 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,0,0,0,0,0|3,0,0]=3 657 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,0,0,0,0,0|3,0,0]=3 658 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,0,0,0,0,0|3,0,0]=3 659 B12R0.1 CCNC(=O)COCCOCCBr 34a_100000692535_100000183381 [0,0,0,0,0,0|4,0,0]=4 660 B12R0.1 CCNC(=O)COCCOCCBr 7a_100000692535_100000183381 [0,0,0,0,0,0|4,0,0]=4 661 B12R0.1 CCNC(=O)COCCOCCCl 34a_100011215305_100000183381 [0,0,0,0,0,0|4,0,0]=4 662 B12R0.1 CCNC(=O)COCCOCCCl 7a_100011215305_100000183381 [0,0,0,0,0,0|4,0,0]=4 663 B12R0.1 CCNC(=O)COCCOCCF 34a_200015357709_100000183381 [0,0,0,0,0,0|4,0,0]=4 664 B12R0.1 CCNC(=O)COCCOCCF 7a_200015357709_100000183381 [0,0,0,0,0,0|4,0,0]=4 665 B12R0.1 CCNC(=O)COCCOCCI 34a_100012149058_100000183381 [0,0,0,0,0,0|4,0,0]=4 666 B12R0.1 CCNC(=O)COCCOCCI 7a_100012149058_100000183381 [0,0,0,0,0,0|4,0,0]=4 667 B12R0.1 CCNC(=O)COCCOCCN 34a_100000211614_100000183381 [0,0,0,0,0,0|4,0,0]=4 668 B12R0.1 CCNC(=O)COCCOCCO 240690a_100015525214_106645077154 [0,0,0,0,0,0|4,0,0]=4 669 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100000183381_100000211819 [0,0,0,0,0,0|3,0,1]=4 670 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100011219923_100000183381 [0,0,0,0,0,0|3,0,1]=4 671 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,0,0,0,0,0|3,0,1]=4 672 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,0,0,0,0,0|3,0,1]=4 673 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,0,0,0,0,0|3,0,0]=3 674 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,0,0,0,0,0|3,0,0]=3 675 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,0,0,0,0,0|3,0,0]=3 676 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,0,0,0,0,0|3,0,0]=3 677 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,0,0,0,0,0|3,0,0]=3 678 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,0,0,0,0,0|3,0,0]=3 679 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,0,0,0,0,0|3,0,0]=3 680 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,0,0,0,0,0|3,0,0]=3 681 B12R0.1 CCNC(=O)CSCCOCCO 62a_100000183381_100011215305 [0,0,0,0,0,0|4,0,0]=4 682 B12R0.1 CCNC(=O)CSCCOCCO 62a_100011215305_100000183381 [0,0,0,0,0,0|4,0,0]=4 683 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000183381_100000231047 [0,0,0,0,0,0|4,0,0]=4 684 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000231047_100000183381 [0,0,0,0,0,0|4,0,0]=4 685 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100000061152_100015525214 [0,0,0,0,0,0|3,0,1]=4 686 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100015525214_100000061152 [0,0,0,0,0,0|3,0,1]=4 687 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100000061152_100015525214 [0,0,0,0,0,0|3,0,1]=4 688 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100015525214_100000061152 [0,0,0,0,0,0|3,0,1]=4 689 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100000061152_100015525214 [0,0,0,0,0,0|3,0,1]=4 690 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100015525214_100000061152 [0,0,0,0,0,0|3,0,1]=4 691 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,0,0,0,0,0|3,0,0]=3 692 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,0,0,0,0,0|3,0,0]=3 693 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,0,0,0,0,0|3,0,0]=3 694 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,0,0,0,0,0|3,0,0]=3 695 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,0,0,0,0,0|3,0,0]=3 696 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,0,0,0,0,0|3,0,0]=3 697 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,0,0,0,0,0|3,0,0]=3 698 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,0,0,0,0,0|3,0,0]=3 699 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,0,0,0,0,0|3,0,0]=3 700 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,0,0,0,0,0|3,0,0]=3 701 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,0,0,0,0,0|3,0,0]=3 702 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100000745349_100015525214 [0,0,0,0,0,0|4,0,0]=4 703 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100015525214_100000745349 [0,0,0,0,0,0|4,0,0]=4 704 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100000745349_100015525214 [0,0,0,0,0,0|4,0,0]=4 705 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100015525214_100000745349 [0,0,0,0,0,0|4,0,0]=4 706 B12R0.1 CCNC(=O)NCCOCCOC 512a_100000745349_100015525214 [0,0,0,0,0,0|4,0,0]=4 707 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,0,0,0,0,0|1,0,0]=1 708 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,0,0,0,0,0|2,0,0]=2 709 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,0,0,0,0,0|2,0,2]=4 710 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,0,0,0,0,0|2,0,2]=4 711 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,0,0,0,0,0|2,0,2]=4 712 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,0,0,0,0,0|2,0,2]=4 713 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,0,0,0,0,0|2,0,2]=4 714 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,0,0,0,0,0|2,0,2]=4 715 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,0,0,0,0,0|2,0,2]=4 716 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,0,0,0,0,0|2,0,2]=4 717 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,0,0,0,0,0|2,0,2]=4 718 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,0,0,0,0,0|2,0,2]=4 719 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,0,0,0,0,0|2,0,2]=4 720 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,0,0,0,0,0|2,0,2]=4 721 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,0,0,0,0,0|2,0,2]=4 722 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,0,0,0,0,0|2,0,2]=4 723 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,0,0,0,0,0|2,0,2]=4 724 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,0,0,0,0,0|2,0,2]=4 725 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,0,0,0,0,0|2,0,2]=4 726 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,0,0,0,0,0|2,0,2]=4 727 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,0,0,0,0,0|2,0,2]=4 728 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,0,0,0,0,0|1,0,0]=1 729 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,0,0,0,0,0|1,0,0]=1 730 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,0,0,0,0,0|1,0,0]=1 731 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,0,0,0,0,0|1,0,0]=1 732 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,0,0,0,0,0|1,0,0]=1 733 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,0,0,0,0,0|1,0,0]=1 734 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,0,0,0,0,0|2,0,0]=2 735 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,0,0,0,0,0|1,0,0]=1 736 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,0,0,0,0,0|1,0,0]=1 737 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,0,0,0,0,0|2,0,0]=2 738 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,0,0,0,0,0|2,0,0]=2 739 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,0,0,0,0,0|2,0,0]=2 740 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,0,0,0,0,0|2,0,0]=2 741 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,0,0,0,0,0|2,0,0]=2 742 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,0,0,0,0,0|2,0,0]=2 743 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,0,0,0,0,0|2,0,0]=2 744 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [0,0,0,0,0,0|2,0,1]=3 745 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [0,0,0,0,0,0|2,0,1]=3 746 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,0,0,0,0,0|2,0,1]=3 747 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,0,0,0,0,0|2,0,1]=3 748 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,0,0,0,0,0|2,0,0]=2 749 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,0,0,0,0,0|2,0,0]=2 750 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,0,0,0,0,0|2,0,0]=2 751 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,0,0,0,0,0|2,0,0]=2 752 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,0,0,0,0,0|2,0,0]=2 753 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,0,0,0,0,0|2,0,0]=2 754 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,0,0,0,0,0|2,0,0]=2 755 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,0,0,0,0,0|2,0,0]=2 756 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,0,0,0,0,0|2,0,0]=2 757 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,0,0,0,0,0|2,0,0]=2 758 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,0,0,0,0,0|2,0,0]=2 759 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,0,0,0,0,0|2,0,0]=2 760 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [0,0,0,0,0,0|2,0,1]=3 761 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,0,0,0,0,0|2,0,0]=2 762 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,0,0,0,0,0|2,0,0]=2 763 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,0,0,0,0,0|2,0,0]=2 764 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,0,0,0,0,0|2,0,0]=2 765 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,0,0,0,0,0|2,0,0]=2 766 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,0,0,0,0,0|2,0,0]=2 767 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,0,0,0,0,0|2,0,0]=2 768 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,0,0,0,0,0|2,0,0]=2 769 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [0,0,0,0,0,0|3,0,0]=3 770 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,0,0,0,0,0|2,0,0]=2 771 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,0,0,0,0,0|2,0,0]=2 772 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,0,0,0,0,0|2,0,0]=2 773 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [0,0,0,0,0,0|2,0,1]=3 774 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [0,0,0,0,0,0|2,0,1]=3 775 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,0,0,0,0,0|2,0,0]=2 776 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,0,0,0,0,0|2,0,0]=2 777 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,0,0,0,0,0|2,0,0]=2 778 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,0,0,0,0,0|2,0,0]=2 779 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,0,0,0,0,0|2,0,0]=2 780 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,0,0,0,0,0|2,0,0]=2 781 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,0,0,0,0,0|2,0,0]=2 782 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,0,0,0,0,0|2,0,0]=2 783 B12R0.1 CCOC(=O)CCCSCSC#N 62a_100000211825_100009991533 [0,0,0,0,0,0|3,0,1]=4 784 B12R0.1 CCOC(=O)CCCSCSC#N 62a_100009991533_100000211825 [0,0,0,0,0,0|3,0,1]=4 785 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,0,0,0,0,0|2,0,0]=2 786 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,0,0,0,0,0|2,0,0]=2 787 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,0,0,0,0,0|2,0,0]=2 788 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,0,0,0,0,0|2,0,0]=2 789 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,0,0,0,0,0|2,0,0]=2 790 B12R0.1 CCOC(=O)CCOCC#CCCl 34a_200000047223_100000765890 [0,0,0,0,0,0|2,0,2]=4 791 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,0,0,0,0,0|2,0,0]=2 792 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,0,0,0,0,0|2,0,0]=2 793 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,0,0,0,0,0|2,0,0]=2 794 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,0,0,0,0,0|2,0,0]=2 795 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,0,0,0,0,0|2,0,0]=2 796 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,0,0,0,0,0|2,0,0]=2 797 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,0,0,0,0,0|2,0,0]=2 798 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,0,0,0,0,0|2,0,0]=2 799 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,0,0,0,0,0|2,0,0]=2 800 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,0,0,0,0,0|2,0,0]=2 801 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,0,0,0,0,0|2,0,0]=2 802 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,0,0,0,0,0|2,0,0]=2 803 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,0,0,0,0,0|2,0,0]=2 804 B12R0.1 CCOC(=O)CCSCC#CCO 62a_100000765890_200000047223 [0,0,0,0,0,0|2,0,2]=4 805 B12R0.1 CCOC(=O)CCSCC#CCO 62a_200000047223_100000765890 [0,0,0,0,0,0|2,0,2]=4 806 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [0,0,0,0,0,0|2,0,1]=3 807 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [0,0,0,0,0,0|2,0,1]=3 808 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,0,0,0,0,0|2,0,1]=3 809 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,0,0,0,0,0|2,0,1]=3 810 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,0,0,0,0,0|2,0,0]=2 811 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,0,0,0,0,0|2,0,0]=2 812 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,0,0,0,0,0|2,0,0]=2 813 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,0,0,0,0,0|2,0,0]=2 814 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,0,0,0,0,0|2,0,0]=2 815 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,0,0,0,0,0|2,0,0]=2 816 B12R0.1 CCOC(=O)CCSCCSC#N 62a_100000034367_100000765890 [0,0,0,0,0,0|3,0,1]=4 817 B12R0.1 CCOC(=O)CCSCCSC#N 62a_100000765890_100000034367 [0,0,0,0,0,0|3,0,1]=4 818 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,0,0,0,0,0|2,0,0]=2 819 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,0,0,0,0,0|2,0,0]=2 820 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,0,0,0,0,0|2,0,0]=2 821 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,0,0,0,0,0|2,0,0]=2 822 B12R0.1 CCOC(=O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000188475 [0,0,0,0,0,0|4,0,0]=4 823 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,0,0,0,0,0|3,0,0]=3 824 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,0,0,0,0,0|3,0,0]=3 825 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,0,0,0,0,0|3,0,0]=3 826 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,0,0,0,0,0|2,0,0]=2 827 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,0,0,0,0,0|2,0,0]=2 828 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,0,0,0,0,0|2,0,0]=2 829 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,0,0,0,0,0|2,0,0]=2 830 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,0,0,0,0,0|2,0,0]=2 831 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,0,0,0,0,0|2,0,0]=2 832 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,0,0,0,0,0|2,0,0]=2 833 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,0,0,0,0,0|2,0,0]=2 834 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,0,0,0,0,0|2,0,0]=2 835 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,0,0,0,0,0|2,0,0]=2 836 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,0,0,0,0,0|2,0,0]=2 837 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,0,0,0,0,0|2,0,0]=2 838 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,0,0,0,0,0|2,0,0]=2 839 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,0,0,0,0,0|2,0,0]=2 840 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,0,0,0,0,0|3,0,0]=3 841 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,0,0,0,0,0|3,0,0]=3 842 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,0,0,0,0,0|3,0,0]=3 843 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,0,0,0,0,0|3,0,0]=3 844 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,0,0,0,0,0|3,0,0]=3 845 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,0,0,0,0,0|3,0,0]=3 846 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,0,0,0,0,0|3,0,0]=3 847 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,0,0,0,0,0|3,0,0]=3 848 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,0,0,0,0,0|3,0,0]=3 849 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,0,0,0,0,0|3,0,0]=3 850 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,0,0,0,0,0|3,0,0]=3 851 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,0,0,0,0,0|3,0,0]=3 852 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,0,0,0,0,0|3,0,0]=3 853 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,0,0,0,0,0|3,0,0]=3 854 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,0,0,0,0,0|3,0,0]=3 855 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,0,0,0,0,0|3,0,0]=3 856 B12R0.1 CCOC(=O)COCCSCC#N 62a_100000088970_100011215382 [0,0,0,0,0,0|3,0,1]=4 857 B12R0.1 CCOC(=O)COCCSCC#N 62a_100011215382_100000088970 [0,0,0,0,0,0|3,0,1]=4 858 B12R0.1 CCOC(=O)COCCSCC=O 62a_100000088970_200015260668 [0,0,0,0,0,0|3,0,1]=4 859 B12R0.1 CCOC(=O)COCCSCC=O 62a_200015260668_100000088970 [0,0,0,0,0,0|3,0,1]=4 860 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,0,0,0,0,0|3,0,0]=3 861 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,0,0,0,0,0|3,0,0]=3 862 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,0,0,0,0,0|3,0,0]=3 863 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,0,0,0,0,0|3,0,0]=3 864 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,0,0,0,0,0|3,0,0]=3 865 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,0,0,0,0,0|3,0,0]=3 866 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,0,0,0,0,0|3,0,0]=3 867 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,0,0,0,0,0|3,0,0]=3 868 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,0,0,0,0,0|2,0,1]=3 869 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,0,0,0,0,0|2,0,1]=3 870 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,0,0,0,0,0|2,0,1]=3 871 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,0,0,0,0,0|2,0,1]=3 872 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,0,0,0,0,0|2,0,0]=2 873 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,0,0,0,0,0|2,0,0]=2 874 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,0,0,0,0,0|2,0,0]=2 875 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,0,0,0,0,0|2,0,0]=2 876 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,0,0,0,0,0|2,0,0]=2 877 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,0,0,0,0,0|2,0,0]=2 878 B12R0.1 CCOC(=O)CSCCOCC#N 62a_100000188475_200000047693 [0,0,0,0,0,0|3,0,1]=4 879 B12R0.1 CCOC(=O)CSCCOCC#N 62a_200000047693_100000188475 [0,0,0,0,0,0|3,0,1]=4 880 B12R0.1 CCOC(=O)CSCCOCC#N 7a_200000230590_100011215382 [0,0,0,0,0,0|3,0,1]=4 881 B12R0.1 CCOC(=O)CSCCOCC=O 7a_200000230590_200015260668 [0,0,0,0,0,0|3,0,1]=4 882 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,0,0,0,0,0|3,0,0]=3 883 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,0,0,0,0,0|3,0,0]=3 884 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,0,0,0,0,0|3,0,0]=3 885 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,0,0,0,0,0|3,0,0]=3 886 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,0,0,0,0,0|3,0,0]=3 887 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,0,0,0,0,0|3,0,0]=3 888 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,0,0,0,0,0|3,0,0]=3 889 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,0,0,0,0,0|3,0,0]=3 890 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,0,0,0,0,0|3,0,0]=3 891 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,0,0,0,0,0|3,0,0]=3 892 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,0,0,0,0,0|3,0,0]=3 893 B12R0.1 CCOC(=O)NCCSCCC#N 62a_100011215226_200011445536 [0,0,0,0,0,0|3,0,1]=4 894 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,0,0,0,0,0|3,0,0]=3 895 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,0,0,0,0,0|3,0,0]=3 896 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,0,0,0,0,0|3,0,0]=3 897 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,0,0,0,0,0|3,0,0]=3 898 B12R0.1 CCOC(=O)OCSCCCC#N 62a_100000687738_100000075025 [0,0,0,0,0,0|3,0,1]=4 899 B12R0.1 CCOC(=O)OCSCCCC=O 62a_200011292268_100000075025 [0,0,0,0,0,0|3,0,1]=4 900 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,0,0,0,0,0|3,0,0]=3 901 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,0,0,0,0,0|3,0,0]=3 902 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,0,0,0,0,0|3,0,0]=3 903 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,0,0,0,0,0|3,0,0]=3 904 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,0,0,0,0,0|1,0,0]=1 905 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,0,0,0,0,0|1,0,0]=1 906 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,0,0,0,0,0|4,0,0]=4 907 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,0,0,0,0,0|4,0,0]=4 908 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,0,0,0,0,0|2,0,0]=2 909 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,0,0,0,0,0|2,0,0]=2 910 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,0,0,0,0,0|4,0,0]=4 911 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,0,0,0,0,0|4,0,0]=4 912 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,0,0,0,0,0|2,0,0]=2 913 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,0,0,0,0,0|2,0,0]=2 914 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,0,0,0,0,0|2,0,0]=2 915 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,0,0,0,0,0|4,0,0]=4 916 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,0,0,0,0,0|4,0,0]=4 917 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,0,0,0,0,0|2,0,0]=2 918 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,0,0,0,0,0|2,0,0]=2 919 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,0,0,0,0,0|2,0,0]=2 920 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,0,0,0,0,0|2,0,0]=2 921 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,0,0,0,0,0|3,0,1]=4 922 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,0,0,0,0,0|4,0,0]=4 923 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,0,0,0,0,0|4,0,0]=4 924 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,0,0,0,0,0|4,0,0]=4 925 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,0,0,0,0,0|2,0,0]=2 926 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,0,0,0,0,0|2,0,0]=2 927 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,0,0,0,0,0|2,0,0]=2 928 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,0,0,0,0,0|2,0,0]=2 929 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,0,0,0,0,0|3,0,0]=3 930 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,0,0,0,0,0|2,0,2]=4 931 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,0,0,0,0,0|2,0,2]=4 932 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,0,0,0,0,0|2,0,0]=2 933 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,0,0,0,0,0|2,0,0]=2 934 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,0,0,0,0,0|3,0,0]=3 935 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,0,0,0,0,0|4,0,0]=4 936 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,0,0,0,0,0|4,0,0]=4 937 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,0,0,0,0,0|3,0,0]=3 938 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,0,0,0,0,0|4,0,0]=4 939 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,0,0,0,0,0|4,0,0]=4 940 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,0,0,0,0,0|4,0,0]=4 941 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,0,0,0,0,0|4,0,0]=4 942 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,0,0,0,0,0|4,0,0]=4 943 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,0,0,0,0,0|4,0,0]=4 944 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,0,0,0,0,0|3,0,1]=4 945 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,0,0,0,0,0|3,0,0]=3 946 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,0,0,0,0,0|4,0,0]=4 947 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,0,0,0,0,0|4,0,0]=4 948 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,0,0,0,0,0|3,0,1]=4 949 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,0,0,0,0,0|3,0,1]=4 950 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,0,0,0,0,0|3,0,1]=4 951 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,0,0,0,0,0|3,0,1]=4 952 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,0,0,0,0,0|3,0,0]=3 953 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,0,0,0,0,0|3,0,0]=3 954 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,0,0,0,0,0|3,0,0]=3 955 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,0,0,0,0,0|4,0,0]=4 956 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,0,0,0,0,0|4,0,0]=4 957 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,0,0,0,0,0|4,0,0]=4 958 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,0,0,0,0,0|4,0,0]=4 959 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,0,0,0,0,0|4,0,0]=4 960 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,0,0,0,0,0|4,0,0]=4 961 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,0,0,0,0,0|4,0,0]=4 962 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,0,0,0,0,0|4,0,0]=4 963 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,0,0,0,0,0|4,0,0]=4 964 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,0,0,0,0,0|4,0,0]=4 965 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,0,0,0,0,0|4,0,0]=4 966 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,0,0,0,0,0|4,0,0]=4 967 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,0,0,0,0,0|4,0,0]=4 968 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,0,0,0,0,0|4,0,0]=4 969 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,0,0,0,0,0|4,0,0]=4 970 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,0,0,0,0,0|3,0,1]=4 971 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,0,0,0,0,0|3,0,0]=3 972 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,0,0,0,0,0|4,0,0]=4 973 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,0,0,0,0,0|4,0,0]=4 974 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,0,0,0,0,0|4,0,0]=4 975 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,0,0,0,0,0|4,0,0]=4 976 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,0,0,0,0,0|3,0,1]=4 977 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,0,0,0,0,0|3,0,1]=4 978 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,0,0,0,0,0|3,0,1]=4 979 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,0,0,0,0,0|4,0,0]=4 980 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,0,0,0,0,0|3,0,1]=4 981 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,0,0,0,0,0|3,0,1]=4 982 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,0,0,0,0,0|3,0,1]=4 983 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,0,0,0,0,0|3,0,0]=3 984 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,0,0,0,0,0|3,0,0]=3 985 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,0,0,0,0,0|3,0,0]=3 986 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,0,0,0,0,0|4,0,0]=4 987 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,0,0,0,0,0|4,0,0]=4 988 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,0,0,0,0,0|4,0,0]=4 989 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,0,0,0,0,0|4,0,0]=4 990 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,0,0,0,0,0|4,0,0]=4 991 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,0,0,0,0,0|4,0,0]=4 992 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,0,0,0,0,0|4,0,0]=4 993 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,0,0,0,0,0|4,0,0]=4 994 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,0,0,0,0,0|4,0,0]=4 995 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,0,0,0,0,0|4,0,0]=4 996 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,0,0,0,0,0|4,0,0]=4 997 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,0,0,0,0,0|4,0,0]=4 998 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,0,0,0,0,0|4,0,0]=4 999 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,0,0,0,0,0|0,0,3]=4 1000 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,0,0,0,0,0|0,0,3]=4 1001 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,0,0,0,0,0|0,0,3]=4 1002 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,0,0,0,0,0|0,0,3]=4 1003 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,0,0,0,0,0|0,0,3]=4 1004 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,0,0,0,0,0|0,0,3]=4 1005 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,0,0,0,0,0|2,0,0]=3 1006 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,0,0,0,0,0|2,0,0]=3 1007 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [1,0,0,0,0,0|3,0,0]=4 1008 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [1,0,0,0,0,0|3,0,0]=4 1009 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [1,0,0,0,0,0|3,0,0]=4 1010 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [1,0,0,0,0,0|3,0,0]=4 1011 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [1,0,0,0,0,0|3,0,0]=4 1012 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [1,0,0,0,0,0|3,0,0]=4 1013 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [1,0,0,0,0,0|3,0,0]=4 1014 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [1,0,0,0,0,0|3,0,0]=4 1015 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,0,0,0,0,0|2,0,0]=3 1016 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,0,0,0,0,0|2,0,0]=3 1017 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,0,0,0,0,0|2,0,0]=3 1018 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [1,0,0,0,0,0|3,0,0]=4 1019 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [1,0,0,0,0,0|3,0,0]=4 1020 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,0,0,0,0,0|2,0,0]=3 1021 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,0,0,0,0,0|2,0,0]=3 1022 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [1,0,0,0,0,0|3,0,0]=4 1023 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [1,0,0,0,0,0|3,0,0]=4 1024 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [1,0,0,0,0,0|3,0,0]=4 1025 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [1,0,0,0,0,0|3,0,0]=4 1026 B11R0.3 CC/C=C\CCCCOCSC 34a_100016287862_100011218213 [1,0,0,0,0,0|3,0,0]=4 1027 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,0,0,0,0,0|2,0,0]=3 1028 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [1,0,0,0,0,0|3,0,0]=4 1029 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [1,0,0,0,0,0|3,0,0]=4 1030 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [1,0,0,0,0,0|3,0,0]=4 1031 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [1,0,0,0,0,0|3,0,0]=4 1032 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [1,0,0,0,0,0|3,0,0]=4 1033 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [1,0,0,0,0,0|3,0,0]=4 1034 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [1,0,0,0,0,0|3,0,0]=4 1035 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [1,0,0,0,0,0|3,0,0]=4 1036 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,0,0,0,0,0|2,0,0]=3 1037 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,0,0,0,0,0|2,0,0]=3 1038 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,0,0,0,0,0|2,0,0]=3 1039 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,0,0,0,0,0|2,0,0]=3 1040 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [1,0,0,0,0,0|3,0,0]=4 1041 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [1,0,0,0,0,0|3,0,0]=4 1042 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [1,0,0,0,0,0|3,0,0]=4 1043 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [1,0,0,0,0,0|3,0,0]=4 1044 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [1,0,0,0,0,0|3,0,0]=4 1045 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [1,0,0,0,0,0|3,0,0]=4 1046 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [1,0,0,0,0,0|3,0,0]=4 1047 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [1,0,0,0,0,0|3,0,0]=4 1048 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [1,0,0,0,0,0|3,0,0]=4 1049 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [1,0,0,0,0,0|3,0,0]=4 1050 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [1,0,0,0,0,0|3,0,0]=4 1051 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [1,0,0,0,0,0|3,0,0]=4 1052 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [1,0,0,0,0,0|3,0,0]=4 1053 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [1,0,0,0,0,0|3,0,0]=4 1054 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [1,0,0,0,0,0|3,0,0]=4 1055 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [1,0,0,0,0,0|3,0,0]=4 1056 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [1,0,0,0,0,0|3,0,0]=4 1057 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [1,0,0,0,0,0|3,0,0]=4 1058 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [1,0,0,0,0,0|3,0,0]=4 1059 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [1,0,0,0,0,0|3,0,0]=4 1060 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [1,0,0,0,0,0|3,0,0]=4 1061 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [1,0,0,0,0,0|3,0,0]=4 1062 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [1,0,0,0,0,0|3,0,0]=4 1063 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [1,0,0,0,0,0|3,0,0]=4 1064 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,0,0,0,0,0|2,0,0]=3 1065 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,0,0,0,0,0|2,0,0]=3 1066 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [1,0,0,0,0,0|3,0,0]=4 1067 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [1,0,0,0,0,0|3,0,0]=4 1068 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [1,0,0,0,0,0|3,0,0]=4 1069 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [1,0,0,0,0,0|3,0,0]=4 1070 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [1,0,0,0,0,0|3,0,0]=4 1071 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [1,0,0,0,0,0|3,0,0]=4 1072 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [1,0,0,0,0,0|3,0,0]=4 1073 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [1,0,0,0,0,0|3,0,0]=4 1074 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [1,0,0,0,0,0|3,0,0]=4 1075 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [1,0,0,0,0,0|3,0,0]=4 1076 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,0,0,0,0,0|2,0,0]=3 1077 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [1,0,0,0,0,0|3,0,0]=4 1078 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [1,0,0,0,0,0|3,0,0]=4 1079 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [1,0,0,0,0,0|3,0,0]=4 1080 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [1,0,0,0,0,0|3,0,0]=4 1081 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [1,0,0,0,0,0|3,0,0]=4 1082 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [1,0,0,0,0,0|3,0,0]=4 1083 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [1,0,0,0,0,0|3,0,0]=4 1084 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [1,0,0,0,0,0|3,0,0]=4 1085 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [1,0,0,0,0,0|3,0,0]=4 1086 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,0,0,0,0,0|2,0,0]=3 1087 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,0,0,0,0,0|2,0,0]=3 1088 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,0,0,0,0,0|2,0,0]=3 1089 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [1,0,0,0,0,0|3,0,0]=4 1090 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [1,0,0,0,0,0|3,0,0]=4 1091 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [1,0,0,0,0,0|3,0,0]=4 1092 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [1,0,0,0,0,0|3,0,0]=4 1093 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [1,0,0,0,0,0|3,0,0]=4 1094 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [1,0,0,0,0,0|3,0,0]=4 1095 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [1,0,0,0,0,0|3,0,0]=4 1096 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [1,0,0,0,0,0|3,0,0]=4 1097 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [1,0,0,0,0,0|3,0,0]=4 1098 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [1,0,0,0,0,0|3,0,0]=4 1099 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [1,0,0,0,0,0|3,0,0]=4 1100 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [1,0,0,0,0,0|3,0,0]=4 1101 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [1,0,0,0,0,0|3,0,0]=4 1102 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [1,0,0,0,0,0|3,0,0]=4 1103 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [1,0,0,0,0,0|3,0,0]=4 1104 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [1,0,0,0,0,0|3,0,0]=4 1105 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [1,0,0,0,0,0|3,0,0]=4 1106 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [1,0,0,0,0,0|3,0,0]=4 1107 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [1,0,0,0,0,0|3,0,0]=4 1108 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [1,0,0,0,0,0|3,0,0]=4 1109 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [1,0,0,0,0,0|3,0,0]=4 1110 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [1,0,0,0,0,0|3,0,0]=4 1111 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,0,0,0,0,0|2,0,0]=3 1112 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,0,0,0,0,0|2,0,0]=3 1113 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [1,0,0,0,0,0|3,0,0]=4 1114 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [1,0,0,0,0,0|3,0,0]=4 1115 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [1,0,0,0,0,0|3,0,0]=4 1116 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [1,0,0,0,0,0|3,0,0]=4 1117 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [1,0,0,0,0,0|3,0,0]=4 1118 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [1,0,0,0,0,0|3,0,0]=4 1119 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [1,0,0,0,0,0|3,0,0]=4 1120 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [1,0,0,0,0,0|3,0,0]=4 1121 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [1,0,0,0,0,0|3,0,0]=4 1122 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [1,0,0,0,0,0|3,0,0]=4 1123 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [1,0,0,0,0,0|3,0,0]=4 1124 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [1,0,0,0,0,0|3,0,0]=4 1125 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,0,0,0,0,0|2,0,1]=4 1126 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [1,0,0,0,0,0|2,0,1]=4 1127 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [1,0,0,0,0,0|2,0,1]=4 1128 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [1,0,0,0,0,0|2,0,1]=4 1129 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [1,0,0,0,0,0|2,0,1]=4 1130 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [1,0,0,0,0,0|2,0,1]=4 1131 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [1,0,0,0,0,0|2,0,1]=4 1132 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [1,0,0,0,0,0|2,0,1]=4 1133 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [1,0,0,0,0,0|2,0,1]=4 1134 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [1,0,0,0,0,0|2,0,1]=4 1135 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [1,0,0,0,0,0|2,0,1]=4 1136 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [1,0,0,0,0,0|2,0,1]=4 1137 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [1,0,0,0,0,0|2,0,1]=4 1138 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [1,0,0,0,0,0|2,0,1]=4 1139 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [1,0,0,0,0,0|2,0,1]=4 1140 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [1,0,0,0,0,0|2,0,1]=4 1141 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [1,0,0,0,0,0|2,0,1]=4 1142 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [1,0,0,0,0,0|2,0,1]=4 1143 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [1,0,0,0,0,0|2,0,1]=4 1144 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [1,0,0,0,0,0|0,0,3]=4 1145 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,0,0,0,0,0|0,0,3]=4 1146 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,0,0,0,0,0|0,0,3]=4 1147 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [1,0,0,0,0,0|0,0,3]=4 1148 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [1,0,0,0,0,0|0,0,3]=4 1149 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,0,0,0,0,0|0,0,3]=4 1150 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,0,0,0,0,0|0,0,3]=4 1151 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [1,0,0,0,0,0|0,0,3]=4 1152 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [1,0,0,0,0,0|0,0,3]=4 1153 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [1,0,0,0,0,0|2,0,1]=4 1154 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,0,0,0,0,0|2,0,1]=4 1155 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,0,0,0,0,0|2,0,1]=4 1156 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,0,0,0,0,0|2,0,1]=4 1157 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,0,0,0,0,0|2,0,1]=4 1158 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,0,0,0,0,0|2,0,1]=4 1159 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,0,0,0,0,0|2,0,1]=4 1160 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,0,0,0,0,0|2,0,1]=4 1161 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,0,0,0,0,0|2,0,1]=4 1162 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,0,0,0,0,0|2,0,1]=4 1163 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,0,0,0,0,0|2,0,1]=4 1164 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,0,0,0,0,0|2,0,1]=4 1165 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,0,0,0,0,0|2,0,1]=4 1166 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,0,0,0,0,0|2,0,1]=4 1167 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,0,0,0,0,0|2,0,1]=4 1168 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,0,0,0,0,0|1,0,1]=3 1169 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,0,0,0,0,0|1,0,1]=3 1170 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,0,0,0,0,0|1,0,1]=3 1171 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,0,0,0,0,0|2,0,1]=4 1172 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,0,0,0,0,0|0,0,1]=2 1173 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,0,0,0,0,0|0,0,1]=2 1174 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,0,0,0,0,0|0,0,1]=2 1175 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,0,0,0,0,0|1,0,1]=3 1176 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,0,0,0,0,0|1,0,1]=3 1177 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,0,0,0,0,0|0,1,1]=3 1178 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,0,0,0,0,0|1,1,1]=4 1179 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,0,0,0,0,0|2,0,0]=3 1180 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,0,0,0,0,0|2,0,0]=3 1181 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,0,0,0,0,0|3,0,0]=4 1182 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,0,0,0,0,0|3,0,0]=4 1183 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,0,0,0,0,0|3,0,0]=4 1184 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,0,0,0,0,0|3,0,0]=4 1185 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,0,0,0,0,0|3,0,0]=4 1186 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,0,0,0,0,0|3,0,0]=4 1187 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,0,0,0,0,0|3,0,0]=4 1188 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,0,0,0,0,0|3,0,0]=4 1189 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,0,0,0,0,0|3,0,0]=4 1190 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,0,0,0,0,0|3,0,0]=4 1191 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,0,0,0,0,0|3,0,0]=4 1192 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,0,0,0,0,0|2,0,0]=3 1193 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,0,0,0,0,0|2,0,0]=3 1194 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,0,0,0,0,0|2,0,0]=3 1195 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,0,0,0,0,0|3,0,0]=4 1196 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,0,0,0,0,0|3,0,0]=4 1197 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,0,0,0,0,0|3,0,0]=4 1198 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,0,0,0,0,0|3,0,0]=4 1199 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,0,0,0,0,0|3,0,0]=4 1200 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,0,0,0,0,0|3,0,0]=4 1201 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,0,0,0,0,0|2,0,0]=3 1202 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,0,0,0,0,0|2,0,0]=3 1203 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,0,0,0,0,0|3,0,0]=4 1204 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,0,0,0,0,0|3,0,0]=4 1205 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,0,0,0,0,0|3,0,0]=4 1206 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,0,0,0,0,0|3,0,0]=4 1207 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,0,0,0,0,0|3,0,0]=4 1208 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,0,0,0,0,0|3,0,0]=4 1209 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,0,0,0,0,0|3,0,0]=4 1210 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,0,0,0,0,0|3,0,0]=4 1211 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,0,0,0,0,0|2,0,1]=4 1212 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,0,0,0,0,0|2,0,1]=4 1213 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,0,0,0,0,0|2,0,1]=4 1214 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,0,0,0,0,0|2,0,1]=4 1215 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,0,0,0,0,0|2,0,1]=4 1216 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,0,0,0,0,0|2,0,1]=4 1217 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,0,0,0,0,0|2,0,1]=4 1218 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,0,0,0,0,0|2,0,1]=4 1219 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,0,0,0,0,0|2,0,1]=4 1220 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,0,0,0,0,0|1,0,1]=3 1221 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,0,0,0,0,0|1,0,1]=3 1222 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,0,0,0,0,0|2,0,1]=4 1223 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,0,0,0,0,0|2,0,1]=4 1224 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,0,0,0,0,0|1,0,1]=3 1225 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,0,0,0,0,0|1,0,1]=3 1226 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,0,0,0,0,0|1,0,1]=3 1227 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,0,0,0,0,0|1,1,1]=4 1228 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,0,0,0,0,0|1,1,1]=4 1229 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,0,0,0,0,0|2,0,1]=4 1230 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,0,0,0,0,0|2,0,1]=4 1231 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,0,0,0,0,0|2,0,1]=4 1232 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,0,0,0,0,0|2,0,1]=4 1233 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,0,0,0,0,0|1,0,1]=3 1234 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,0,0,0,0,0|1,0,1]=3 1235 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,0,0,0,0,0|1,0,1]=3 1236 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,0,0,0,0,0|1,0,1]=3 1237 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,0,0,0,0,0|1,0,1]=3 1238 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,0,0,0,0,0|1,0,1]=3 1239 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,0,0,0,0,0|2,0,1]=4 1240 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,0,0,0,0,0|2,0,1]=4 1241 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,0,0,0,0,0|1,1,1]=4 1242 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,0,0,0,0,0|1,1,1]=4 1243 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,0,0,0,0,0|1,1,1]=4 1244 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,0,0,0,0,0|1,1,1]=4 1245 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,0,0,0,0,0|2,0,1]=4 1246 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,0,0,0,0,0|2,0,1]=4 1247 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,0,0,0,0,0|1,0,1]=3 1248 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,0,0,0,0,0|1,0,1]=3 1249 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,0,0,0,0,0|1,1,1]=4 1250 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,0,0,0,0,0|1,1,1]=4 1251 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,0,0,0,0,0|1,0,1]=3 1252 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,0,0,0,0,0|1,0,1]=3 1253 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,0,0,0,0,0|1,0,1]=3 1254 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,0,0,0,0,0|3,0,0]=4 1255 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,0,0,0,0,0|3,0,0]=4 1256 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,0,0,0,0,0|3,0,0]=4 1257 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,0,0,0,0,0|3,0,0]=4 1258 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [1,0,0,0,0,0|3,0,0]=4 1259 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,0,0,0,0,0|1,0,1]=3 1260 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,0,0,0,0,0|1,0,1]=3 1261 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,0,0,0,0,0|1,0,1]=3 1262 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,0,0,0,0,0|1,0,1]=3 1263 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,0,0,0,0,0|1,1,1]=4 1264 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,0,0,0,0,0|1,1,1]=4 1265 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,0,0,0,0,0|3,0,0]=4 1266 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,0,0,0,0,0|3,0,0]=4 1267 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,0,0,0,0,0|3,0,0]=4 1268 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,0,0,0,0,0|3,0,0]=4 1269 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,0,0,0,0,0|3,0,0]=4 1270 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,0,0,0,0,0|3,0,0]=4 1271 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,0,0,0,0,0|3,0,0]=4 1272 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,0,0,0,0,0|3,0,0]=4 1273 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,0,0,0,0,0|1,0,1]=3 1274 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,0,0,0,0,0|1,0,1]=3 1275 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,0,0,0,0,0|3,0,0]=4 1276 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,0,0,0,0,0|3,0,0]=4 1277 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,0,0,0,0,0|1,0,1]=3 1278 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,0,0,0,0,0|2,0,1]=4 1279 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,0,0,0,0,0|3,0,0]=4 1280 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,0,0,0,0,0|3,0,0]=4 1281 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,0,0,0,0,0|1,0,1]=3 1282 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,0,0,0,0,0|1,0,1]=3 1283 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,0,0,0,0,0|2,0,1]=4 1284 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,0,0,0,0,0|2,0,1]=4 1285 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [1,0,0,0,0,0|3,0,0]=4 1286 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [1,0,0,0,0,0|3,0,0]=4 1287 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,0,0,0,0,0|3,0,0]=4 1288 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,0,0,0,0,0|3,0,0]=4 1289 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [1,0,0,0,0,0|2,0,1]=4 1290 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [1,0,0,0,0,0|2,0,1]=4 1291 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [1,0,0,0,0,0|2,0,1]=4 1292 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [1,0,0,0,0,0|2,0,1]=4 1293 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [1,0,0,0,0,0|2,0,1]=4 1294 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [1,0,0,0,0,0|2,0,1]=4 1295 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [1,0,0,0,0,0|2,0,1]=4 1296 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,0,0,0,0,0|3,0,0]=4 1297 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,0,0,0,0,0|3,0,0]=4 1298 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [1,0,0,0,0,0|2,0,1]=4 1299 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [1,0,0,0,0,0|2,0,1]=4 1300 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,0,0,0,0,0|3,0,0]=4 1301 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,0,0,0,0,0|3,0,0]=4 1302 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,0,0,0,0,0|3,0,0]=4 1303 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,0,0,0,0,0|3,0,0]=4 1304 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,0,0,0,0,0|3,0,0]=4 1305 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,0,0,0,0,0|3,0,0]=4 1306 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,0,0,0,0,0|3,0,0]=4 1307 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [1,0,0,0,0,0|2,0,1]=4 1308 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [1,0,0,0,0,0|2,0,1]=4 1309 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [1,0,0,0,0,0|2,0,1]=4 1310 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [1,0,0,0,0,0|2,0,1]=4 1311 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [1,0,0,0,0,0|2,0,1]=4 1312 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [1,0,0,0,0,0|2,0,1]=4 1313 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [1,0,0,0,0,0|2,0,1]=4 1314 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [1,0,0,0,0,0|2,0,1]=4 1315 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [1,0,0,0,0,0|2,0,1]=4 1316 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [1,0,0,0,0,0|2,0,1]=4 1317 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [1,0,0,0,0,0|2,0,1]=4 1318 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [1,0,0,0,0,0|2,0,1]=4 1319 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [1,0,0,0,0,0|2,0,1]=4 1320 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,0,0,0,0,0|3,0,0]=4 1321 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,0,0,0,0,0|3,0,0]=4 1322 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,0,0,0,0,0|3,0,0]=4 1323 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,0,0,0,0,0|3,0,0]=4 1324 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [1,0,0,0,0,0|2,0,1]=4 1325 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [1,0,0,0,0,0|2,0,1]=4 1326 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [1,0,0,0,0,0|2,0,1]=4 1327 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [1,0,0,0,0,0|2,0,1]=4 1328 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [1,0,0,0,0,0|2,0,1]=4 1329 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,0,0,0,0,0|2,0,1]=4 1330 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,0,0,0,0,0|2,0,1]=4 1331 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,0,0,0,0,0|2,0,1]=4 1332 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,0,0,0,0,0|1,0,1]=3 1333 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,0,0,0,0,0|1,0,1]=3 1334 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,0,0,0,0,0|1,0,1]=3 1335 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,0,0,0,0,0|1,0,1]=3 1336 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,0,0,0,0,0|1,0,1]=3 1337 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,0,0,0,0,0|1,0,1]=3 1338 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [1,0,0,0,0,0|2,0,1]=4 1339 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [1,0,0,0,0,0|2,0,1]=4 1340 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [1,0,0,0,0,0|2,0,1]=4 1341 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [1,0,0,0,0,0|2,0,1]=4 1342 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 1343 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [1,0,0,0,0,0|2,0,1]=4 1344 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 1345 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [1,0,0,0,0,0|2,0,1]=4 1346 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [1,0,0,0,0,0|2,0,1]=4 1347 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [1,0,0,0,0,0|2,0,1]=4 1348 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [1,0,0,0,0,0|2,0,1]=4 1349 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [1,0,0,0,0,0|2,0,1]=4 1350 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [1,0,0,0,0,0|2,0,1]=4 1351 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [1,0,0,0,0,0|2,0,1]=4 1352 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [1,0,0,0,0,0|2,0,1]=4 1353 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [1,0,0,0,0,0|2,0,1]=4 1354 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [1,0,0,0,0,0|2,0,1]=4 1355 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [1,0,0,0,0,0|2,0,1]=4 1356 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [1,0,0,0,0,0|2,0,1]=4 1357 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [1,0,0,0,0,0|2,0,1]=4 1358 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [1,0,0,0,0,0|2,0,1]=4 1359 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [1,0,0,0,0,0|2,0,1]=4 1360 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [1,0,0,0,0,0|2,0,1]=4 1361 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [1,0,0,0,0,0|2,0,1]=4 1362 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [1,0,0,0,0,0|2,0,1]=4 1363 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [1,0,0,0,0,0|2,0,1]=4 1364 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 1365 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,0,0,0,0,0|2,0,1]=4 1366 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,0,0,0,0,0|2,0,1]=4 1367 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [1,0,0,0,0,0|2,0,1]=4 1368 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,0,0,0,0,0|2,0,1]=4 1369 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,0,0,0,0,0|2,0,1]=4 1370 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,0,0,0,0,0|2,0,1]=4 1371 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,0,0,0,0,0|2,0,1]=4 1372 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,0,0,0,0,0|2,0,1]=4 1373 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [1,0,0,0,0,0|2,0,1]=4 1374 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [1,0,0,0,0,0|2,0,1]=4 1375 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [1,0,0,0,0,0|2,0,1]=4 1376 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [1,0,0,0,0,0|2,0,1]=4 1377 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [1,0,0,0,0,0|2,0,1]=4 1378 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [1,0,0,0,0,0|2,0,1]=4 1379 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [1,0,0,0,0,0|2,0,1]=4 1380 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [1,0,0,0,0,0|2,0,1]=4 1381 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [1,0,0,0,0,0|2,0,1]=4 1382 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [1,0,0,0,0,0|2,0,1]=4 1383 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [1,0,0,0,0,0|2,0,1]=4 1384 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [1,0,0,0,0,0|2,0,1]=4 1385 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [1,0,0,0,0,0|2,0,1]=4 1386 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [1,0,0,0,0,0|2,0,1]=4 1387 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [1,0,0,0,0,0|2,0,1]=4 1388 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [1,0,0,0,0,0|2,0,1]=4 1389 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [1,0,0,0,0,0|2,0,1]=4 1390 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [1,0,0,0,0,0|2,0,1]=4 1391 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [1,0,0,0,0,0|2,0,1]=4 1392 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [1,0,0,0,0,0|2,0,1]=4 1393 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [1,0,0,0,0,0|2,0,1]=4 1394 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [1,0,0,0,0,0|2,0,1]=4 1395 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [1,0,0,0,0,0|2,0,1]=4 1396 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [1,0,0,0,0,0|2,0,1]=4 1397 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [1,0,0,0,0,0|2,0,1]=4 1398 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [1,0,0,0,0,0|2,0,1]=4 1399 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [1,0,0,0,0,0|2,0,1]=4 1400 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [1,0,0,0,0,0|2,0,1]=4 1401 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [1,0,0,0,0,0|2,0,1]=4 1402 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [1,0,0,0,0,0|2,0,1]=4 1403 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [1,0,0,0,0,0|2,0,1]=4 1404 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [1,0,0,0,0,0|2,0,1]=4 1405 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [1,0,0,0,0,0|2,0,1]=4 1406 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [1,0,0,0,0,0|2,0,1]=4 1407 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [1,0,0,0,0,0|2,0,1]=4 1408 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [1,0,0,0,0,0|2,0,1]=4 1409 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [1,0,0,0,0,0|2,0,1]=4 1410 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,0,0,0,0,0|2,0,1]=4 1411 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,0,0,0,0,0|2,0,1]=4 1412 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,0,0,0,0,0|2,0,1]=4 1413 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,0,0,0,0,0|2,0,1]=4 1414 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,0,0,0,0,0|2,0,1]=4 1415 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [1,0,0,0,0,0|2,0,1]=4 1416 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [1,0,0,0,0,0|2,0,1]=4 1417 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [1,0,0,0,0,0|2,0,1]=4 1418 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [1,0,0,0,0,0|2,0,1]=4 1419 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [1,0,0,0,0,0|2,0,1]=4 1420 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [1,0,0,0,0,0|2,0,1]=4 1421 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [1,0,0,0,0,0|2,0,1]=4 1422 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [1,0,0,0,0,0|2,0,1]=4 1423 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [1,0,0,0,0,0|2,0,1]=4 1424 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [1,0,0,0,0,0|2,0,1]=4 1425 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [1,0,0,0,0,0|2,0,1]=4 1426 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [1,0,0,0,0,0|2,0,1]=4 1427 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [1,0,0,0,0,0|2,0,1]=4 1428 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [1,0,0,0,0,0|2,0,1]=4 1429 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,0,0,0,0,0|1,1,1]=4 1430 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,0,0,0,0,0|1,1,1]=4 1431 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,0,0,0,0,0|2,0,1]=4 1432 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,0,0,0,0,0|2,0,1]=4 1433 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,0,0,0,0,0|2,0,1]=4 1434 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,0,0,0,0,0|2,0,1]=4 1435 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,0,0,0,0,0|2,0,1]=4 1436 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [1,0,0,0,0,0|1,0,2]=4 1437 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [1,0,0,0,0,0|1,0,2]=4 1438 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [1,0,0,0,0,0|1,0,2]=4 1439 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [1,0,0,0,0,0|1,0,2]=4 1440 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [1,0,0,0,0,0|1,0,2]=4 1441 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [1,0,0,0,0,0|1,0,2]=4 1442 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [1,0,0,0,0,0|1,0,2]=4 1443 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [1,0,0,0,0,0|1,0,2]=4 1444 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [1,0,0,0,0,0|1,0,2]=4 1445 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [1,0,0,0,0,0|1,0,2]=4 1446 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [1,0,0,0,0,0|1,0,2]=4 1447 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [1,0,0,0,0,0|1,0,2]=4 1448 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [1,0,0,0,0,0|1,0,2]=4 1449 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [1,0,0,0,0,0|1,0,2]=4 1450 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [1,0,0,0,0,0|1,0,2]=4 1451 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [1,0,0,0,0,0|1,0,2]=4 1452 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [1,0,0,0,0,0|1,0,2]=4 1453 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [1,0,0,0,0,0|1,0,2]=4 1454 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [1,0,0,0,0,0|1,0,2]=4 1455 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [1,0,0,0,0,0|1,0,2]=4 1456 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [1,0,0,0,0,0|1,0,2]=4 1457 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [1,0,0,0,0,0|1,0,2]=4 1458 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [1,0,0,0,0,0|1,0,2]=4 1459 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [1,0,0,0,0,0|1,0,2]=4 1460 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,0,0,0,0,0|1,0,2]=4 1461 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,0,0,0,0,0|1,0,2]=4 1462 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,0,0,0,0,0|1,0,2]=4 1463 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,0,0,0,0,0|1,0,2]=4 1464 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [1,0,0,0,0,0|1,0,2]=4 1465 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [1,0,0,0,0,0|1,0,2]=4 1466 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [1,0,0,0,0,0|1,0,2]=4 1467 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [1,0,0,0,0,0|1,0,2]=4 1468 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [1,0,0,0,0,0|1,0,2]=4 1469 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [1,0,0,0,0,0|1,0,2]=4 1470 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [1,0,0,0,0,0|1,0,2]=4 1471 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [1,0,0,0,0,0|1,0,2]=4 1472 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [1,0,0,0,0,0|1,0,2]=4 1473 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [1,0,0,0,0,0|1,0,2]=4 1474 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [1,0,0,0,0,0|1,0,2]=4 1475 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [1,0,0,0,0,0|1,0,2]=4 1476 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [1,0,0,0,0,0|1,0,2]=4 1477 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [1,0,0,0,0,0|1,0,2]=4 1478 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [1,0,0,0,0,0|1,0,2]=4 1479 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [1,0,0,0,0,0|1,0,2]=4 1480 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [1,0,0,0,0,0|1,0,2]=4 1481 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [1,0,0,0,0,0|1,0,2]=4 1482 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [1,0,0,0,0,0|1,0,2]=4 1483 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [1,0,0,0,0,0|1,0,2]=4 1484 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [1,0,0,0,0,0|1,0,2]=4 1485 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [1,0,0,0,0,0|1,0,2]=4 1486 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [1,0,0,0,0,0|1,0,1]=3 1487 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [1,0,0,0,0,0|2,0,1]=4 1488 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [1,0,0,0,0,0|2,0,1]=4 1489 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [1,0,0,0,0,0|2,0,1]=4 1490 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [1,0,0,0,0,0|1,0,2]=4 1491 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [1,0,0,0,0,0|1,0,2]=4 1492 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [1,0,0,0,0,0|1,0,2]=4 1493 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [1,0,0,0,0,0|1,0,2]=4 1494 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [1,0,0,0,0,0|1,0,2]=4 1495 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [1,0,0,0,0,0|1,0,2]=4 1496 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [1,0,0,0,0,0|1,0,2]=4 1497 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [1,0,0,0,0,0|1,0,2]=4 1498 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [1,0,0,0,0,0|1,0,2]=4 1499 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,0,0,0,0,0|1,0,1]=3 1500 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [1,0,0,0,0,0|2,0,1]=4 1501 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [1,0,0,0,0,0|2,0,1]=4 1502 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [1,0,0,0,0,0|2,0,1]=4 1503 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 1504 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 1505 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,0,0,0,0,0|2,0,1]=4 1506 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [1,0,0,0,0,0|1,0,2]=4 1507 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [1,0,0,0,0,0|1,0,2]=4 1508 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [1,0,0,0,0,0|1,0,2]=4 1509 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [1,0,0,0,0,0|1,0,2]=4 1510 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [1,0,0,0,0,0|1,0,2]=4 1511 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [1,0,0,0,0,0|2,0,1]=4 1512 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,0,0,0,0,0|2,0,0]=3 1513 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,0,0,0,0,0|2,0,0]=3 1514 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,0,0,0,0,0|2,0,0]=3 1515 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [1,0,0,0,0,0|2,0,0]=3 1516 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [1,0,0,0,0,0|3,0,0]=4 1517 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [1,0,0,0,0,0|3,0,0]=4 1518 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [1,0,0,0,0,0|3,0,0]=4 1519 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [1,0,0,0,0,0|3,0,0]=4 1520 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [1,0,0,0,0,0|3,0,0]=4 1521 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [1,0,0,0,0,0|3,0,0]=4 1522 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [1,0,0,0,0,0|3,0,0]=4 1523 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [1,0,0,0,0,0|3,0,0]=4 1524 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [1,0,0,0,0,0|3,0,0]=4 1525 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [1,0,0,0,0,0|3,0,0]=4 1526 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [1,0,0,0,0,0|3,0,0]=4 1527 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [1,0,0,0,0,0|3,0,0]=4 1528 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [1,0,0,0,0,0|3,0,0]=4 1529 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [1,0,0,0,0,0|3,0,0]=4 1530 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [1,0,0,0,0,0|3,0,0]=4 1531 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [1,0,0,0,0,0|3,0,0]=4 1532 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [1,0,0,0,0,0|3,0,0]=4 1533 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [1,0,0,0,0,0|3,0,0]=4 1534 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [1,0,0,0,0,0|3,0,0]=4 1535 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [1,0,0,0,0,0|3,0,0]=4 1536 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [1,0,0,0,0,0|3,0,0]=4 1537 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [1,0,0,0,0,0|3,0,0]=4 1538 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 1539 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 1540 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 1541 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [1,0,0,0,0,0|3,0,0]=4 1542 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [1,0,0,0,0,0|1,0,2]=4 1543 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [1,0,0,0,0,0|1,0,2]=4 1544 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [1,0,0,0,0,0|1,0,2]=4 1545 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [1,0,0,0,0,0|1,0,2]=4 1546 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [1,0,0,0,0,0|1,0,2]=4 1547 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [1,0,0,0,0,0|1,0,2]=4 1548 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [1,0,0,0,0,0|1,0,2]=4 1549 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [1,0,0,0,0,0|1,0,2]=4 1550 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [1,0,0,0,0,0|1,0,2]=4 1551 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [1,0,0,0,0,0|2,0,1]=4 1552 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [1,0,0,0,0,0|2,0,1]=4 1553 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [1,0,0,0,0,0|2,0,1]=4 1554 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [1,0,0,0,0,0|2,0,1]=4 1555 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [1,0,0,0,0,0|2,0,1]=4 1556 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,0,0,0,0,0|1,0,0]=2 1557 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,0,0,0,0,0|1,0,0]=2 1558 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,0,0,0,0,0|2,0,0]=3 1559 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,0,0,0,0,0|2,0,0]=3 1560 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,0,0,0,0,0|2,0,0]=3 1561 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [1,0,0,0,0,0|2,0,0]=3 1562 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [1,0,0,0,0,0|2,0,0]=3 1563 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,0,0,0,0,0|1,0,0]=2 1564 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,0,0,0,0,0|1,0,0]=2 1565 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,0,0,0,0,0|1,0,0]=2 1566 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [1,0,0,0,0,0|2,0,0]=3 1567 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,0,0,0,0,0|2,0,1]=4 1568 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,0,0,0,0,0|2,0,1]=4 1569 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,0,0,0,0,0|1,0,1]=3 1570 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,0,0,0,0,0|1,0,1]=3 1571 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,0,0,0,0,0|1,0,1]=3 1572 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,0,0,0,0,0|2,0,1]=4 1573 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,0,0,0,0,0|2,0,1]=4 1574 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,0,0,0,0,0|1,1,1]=4 1575 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,0,0,0,0,0|1,1,1]=4 1576 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [1,0,0,0,0,0|3,0,0]=4 1577 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [1,0,0,0,0,0|3,0,0]=4 1578 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [1,0,0,0,0,0|3,0,0]=4 1579 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [1,0,0,0,0,0|3,0,0]=4 1580 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 1581 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 1582 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 1583 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [1,0,0,0,0,0|2,0,0]=3 1584 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,0,0,0,0,0|3,0,0]=4 1585 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [1,0,0,0,0,0|3,0,0]=4 1586 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [1,0,0,0,0,0|3,0,0]=4 1587 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [1,0,0,0,0,0|3,0,0]=4 1588 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 1589 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 1590 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 1591 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [1,0,0,0,0,0|3,0,0]=4 1592 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [1,0,0,0,0,0|3,0,0]=4 1593 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 1594 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 1595 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 1596 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [1,0,0,0,0,0|3,0,0]=4 1597 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [1,0,0,0,0,0|3,0,0]=4 1598 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [1,0,0,0,0,0|3,0,0]=4 1599 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 1600 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 1601 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 1602 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 1603 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [1,0,0,0,0,0|2,0,0]=3 1604 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [1,0,0,0,0,0|2,0,0]=3 1605 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [1,0,0,0,0,0|3,0,0]=4 1606 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [1,0,0,0,0,0|3,0,0]=4 1607 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [1,0,0,0,0,0|3,0,0]=4 1608 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [1,0,0,0,0,0|2,0,0]=3 1609 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [1,0,0,0,0,0|2,0,0]=3 1610 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [1,0,0,0,0,0|2,0,0]=3 1611 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [1,0,0,0,0,0|3,0,0]=4 1612 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [1,0,0,0,0,0|1,0,0]=2 1613 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [1,0,0,0,0,0|3,0,0]=4 1614 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [1,0,0,0,0,0|3,0,0]=4 1615 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [1,0,0,0,0,0|3,0,0]=4 1616 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [1,0,0,0,0,0|3,0,0]=4 1617 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [1,0,0,0,0,0|2,0,0]=3 1618 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [1,0,0,0,0,0|2,0,0]=3 1619 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [1,0,0,0,0,0|2,0,0]=3 1620 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [1,0,0,0,0,0|3,0,0]=4 1621 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [1,0,0,0,0,0|3,0,0]=4 1622 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [1,0,0,0,0,0|1,0,0]=2 1623 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [1,0,0,0,0,0|1,0,0]=2 1624 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [1,0,0,0,0,0|2,0,0]=3 1625 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [1,0,0,0,0,0|2,0,0]=3 1626 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [1,0,0,0,0,0|2,0,0]=3 1627 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [1,0,0,0,0,0|2,0,0]=3 1628 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [1,0,0,0,0,0|3,0,0]=4 1629 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [1,0,0,0,0,0|3,0,0]=4 1630 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [1,0,0,0,0,0|1,0,0]=2 1631 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [1,0,0,0,0,0|1,0,0]=2 1632 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [1,0,0,0,0,0|2,0,0]=3 1633 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [1,0,0,0,0,0|2,0,0]=3 1634 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [1,0,0,0,0,0|2,0,0]=3 1635 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [1,0,0,0,0,0|1,0,0]=2 1636 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [1,0,0,0,0,0|1,0,0]=2 1637 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [1,0,0,0,0,0|3,0,0]=4 1638 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [1,0,0,0,0,0|2,0,1]=4 1639 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [1,0,0,0,0,0|2,0,0]=3 1640 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,0,0,0,0,0|3,0,0]=4 1641 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [1,0,0,0,0,0|3,0,0]=4 1642 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [1,0,0,0,0,0|3,0,0]=4 1643 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [1,0,0,0,0,0|2,0,0]=3 1644 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [1,0,0,0,0,0|1,0,0]=2 1645 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [1,0,0,0,0,0|1,0,0]=2 1646 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [1,0,0,0,0,0|3,0,0]=4 1647 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [1,0,0,0,0,0|2,0,0]=3 1648 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [1,0,0,0,0,0|2,0,0]=3 1649 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [1,0,0,0,0,0|1,0,0]=2 1650 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [1,0,0,0,0,0|1,0,0]=2 1651 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [1,0,0,0,0,0|3,0,0]=4 1652 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [1,0,0,0,0,0|2,0,0]=3 1653 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [1,0,0,0,0,0|1,0,2]=4 1654 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [1,0,0,0,0,0|1,0,0]=2 1655 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [1,0,0,0,0,0|1,0,0]=2 1656 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 1657 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 1658 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [1,0,0,0,0,0|3,0,0]=4 1659 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 1660 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 1661 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 1662 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 1663 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [1,0,0,0,0,0|3,0,0]=4 1664 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [1,0,0,0,0,0|3,0,0]=4 1665 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [1,0,0,0,0,0|2,0,0]=3 1666 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [1,0,0,0,0,0|1,0,2]=4 1667 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [1,0,0,0,0,0|1,0,2]=4 1668 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [1,0,0,0,0,0|1,0,0]=2 1669 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [1,0,0,0,0,0|1,0,0]=2 1670 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 1671 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 1672 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [1,0,0,0,0,0|3,0,0]=4 1673 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 1674 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 1675 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 1676 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 1677 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [1,0,0,0,0,0|3,0,0]=4 1678 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [1,0,0,0,0,0|3,0,0]=4 1679 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [1,0,0,0,0,0|2,0,0]=3 1680 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [1,0,0,0,0,0|2,0,0]=3 1681 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [1,0,0,0,0,0|2,0,0]=3 1682 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [1,0,0,0,0,0|2,0,0]=3 1683 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [1,0,0,0,0,0|2,0,0]=3 1684 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [1,0,0,0,0,0|3,0,0]=4 1685 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [1,0,0,0,0,0|3,0,0]=4 1686 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [1,0,0,0,0,0|3,0,0]=4 1687 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [1,0,0,0,0,0|3,0,0]=4 1688 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [1,0,0,0,0,0|3,0,0]=4 1689 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [1,0,0,0,0,0|3,0,0]=4 1690 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [1,0,0,0,0,0|3,0,0]=4 1691 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [1,0,0,0,0,0|3,0,0]=4 1692 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [1,0,0,0,0,0|3,0,0]=4 1693 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [1,0,0,0,0,0|3,0,0]=4 1694 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [1,0,0,0,0,0|3,0,0]=4 1695 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [1,0,0,0,0,0|3,0,0]=4 1696 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [1,0,0,0,0,0|3,0,0]=4 1697 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [1,0,0,0,0,0|3,0,0]=4 1698 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [1,0,0,0,0,0|3,0,0]=4 1699 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [1,0,0,0,0,0|3,0,0]=4 1700 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [1,0,0,0,0,0|3,0,0]=4 1701 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [1,0,0,0,0,0|3,0,0]=4 1702 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [1,0,0,0,0,0|3,0,0]=4 1703 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [1,0,0,0,0,0|3,0,0]=4 1704 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [1,0,0,0,0,0|3,0,0]=4 1705 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [1,0,0,0,0,0|3,0,0]=4 1706 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [1,0,0,0,0,0|3,0,0]=4 1707 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [1,0,0,0,0,0|3,0,0]=4 1708 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [1,0,0,0,0,0|3,0,0]=4 1709 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [1,0,0,0,0,0|3,0,0]=4 1710 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [1,0,0,0,0,0|3,0,0]=4 1711 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [1,0,0,0,0,0|3,0,0]=4 1712 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [1,0,0,0,0,0|3,0,0]=4 1713 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [1,0,0,0,0,0|3,0,0]=4 1714 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [1,0,0,0,0,0|3,0,0]=4 1715 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [1,0,0,0,0,0|3,0,0]=4 1716 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [1,0,0,0,0,0|3,0,0]=4 1717 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [1,0,0,0,0,0|3,0,0]=4 1718 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [1,0,0,0,0,0|3,0,0]=4 1719 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [1,0,0,0,0,0|3,0,0]=4 1720 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [1,0,0,0,0,0|3,0,0]=4 1721 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [1,0,0,0,0,0|3,0,0]=4 1722 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [1,0,0,0,0,0|3,0,0]=4 1723 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [1,0,0,0,0,0|3,0,0]=4 1724 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [1,0,0,0,0,0|3,0,0]=4 1725 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [1,0,0,0,0,0|3,0,0]=4 1726 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [1,0,0,0,0,0|3,0,0]=4 1727 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [1,0,0,0,0,0|3,0,0]=4 1728 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [1,0,0,0,0,0|3,0,0]=4 1729 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [1,0,0,0,0,0|3,0,0]=4 1730 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [1,0,0,0,0,0|3,0,0]=4 1731 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [1,0,0,0,0,0|3,0,0]=4 1732 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [1,0,0,0,0,0|3,0,0]=4 1733 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [1,0,0,0,0,0|3,0,0]=4 1734 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [1,0,0,0,0,0|3,0,0]=4 1735 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [1,0,0,0,0,0|3,0,0]=4 1736 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [1,0,0,0,0,0|3,0,0]=4 1737 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [1,0,0,0,0,0|3,0,0]=4 1738 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [1,0,0,0,0,0|3,0,0]=4 1739 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [1,0,0,0,0,0|3,0,0]=4 1740 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [1,0,0,0,0,0|3,0,0]=4 1741 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [1,0,0,0,0,0|3,0,0]=4 1742 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 1743 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [1,0,0,0,0,0|3,0,0]=4 1744 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 1745 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [1,0,0,0,0,0|3,0,0]=4 1746 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [1,0,0,0,0,0|3,0,0]=4 1747 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 1748 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 1749 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 1750 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 1751 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [1,0,0,0,0,0|3,0,0]=4 1752 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [1,0,0,0,0,0|3,0,0]=4 1753 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [1,0,0,0,0,0|1,0,0]=2 1754 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [1,0,0,0,0,0|2,0,0]=3 1755 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [1,0,0,0,0,0|1,0,0]=2 1756 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [1,0,0,0,0,0|1,0,0]=2 1757 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [1,0,0,0,0,0|1,0,0]=2 1758 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [1,0,0,0,0,0|1,0,0]=2 1759 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [1,0,0,0,0,0|1,0,0]=2 1760 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [1,0,0,0,0,0|1,0,0]=2 1761 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [1,0,0,0,0,0|1,0,0]=2 1762 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [1,0,0,0,0,0|1,0,0]=2 1763 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [1,0,0,0,0,0|1,0,0]=2 1764 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [1,0,0,0,0,0|1,0,0]=2 1765 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [1,0,0,0,0,0|1,0,0]=2 1766 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1767 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1768 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [1,0,0,0,0,0|2,0,0]=3 1769 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [1,0,0,0,0,0|2,0,0]=3 1770 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [1,0,0,0,0,0|2,0,0]=3 1771 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [1,0,0,0,0,0|2,0,0]=3 1772 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [1,0,0,0,0,0|2,0,1]=4 1773 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [1,0,0,0,0,0|2,0,1]=4 1774 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [1,0,0,0,0,0|2,0,0]=3 1775 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [1,0,0,0,0,0|2,0,0]=3 1776 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [1,0,0,0,0,0|2,0,0]=3 1777 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [1,0,0,0,0,0|2,0,0]=3 1778 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [1,0,0,0,0,0|2,0,1]=4 1779 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [1,0,0,0,0,0|2,0,1]=4 1780 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [1,0,0,0,0,0|2,0,1]=4 1781 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [1,0,0,0,0,0|2,0,1]=4 1782 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [1,0,0,0,0,0|2,0,0]=3 1783 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [1,0,0,0,0,0|2,0,0]=3 1784 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [1,0,0,0,0,0|2,0,0]=3 1785 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [1,0,0,0,0,0|2,0,0]=3 1786 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [1,0,0,0,0,0|2,0,0]=3 1787 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [1,0,0,0,0,0|2,0,0]=3 1788 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [1,0,0,0,0,0|2,0,0]=3 1789 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [1,0,0,0,0,0|2,0,0]=3 1790 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [1,0,0,0,0,0|2,0,0]=3 1791 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [1,0,0,0,0,0|2,0,0]=3 1792 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [1,0,0,0,0,0|2,0,0]=3 1793 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [1,0,0,0,0,0|2,0,0]=3 1794 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [1,0,0,0,0,0|2,0,0]=3 1795 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [1,0,0,0,0,0|2,0,0]=3 1796 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [1,0,0,0,0,0|2,0,0]=3 1797 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [1,0,0,0,0,0|2,0,0]=3 1798 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [1,0,0,0,0,0|2,0,0]=3 1799 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [1,0,0,0,0,0|3,0,0]=4 1800 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [1,0,0,0,0,0|2,0,0]=3 1801 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [1,0,0,0,0,0|2,0,0]=3 1802 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [1,0,0,0,0,0|2,0,1]=4 1803 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [1,0,0,0,0,0|2,0,1]=4 1804 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [1,0,0,0,0,0|2,0,0]=3 1805 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [1,0,0,0,0,0|2,0,0]=3 1806 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [1,0,0,0,0,0|2,0,0]=3 1807 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [1,0,0,0,0,0|2,0,0]=3 1808 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [1,0,0,0,0,0|2,0,0]=3 1809 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [1,0,0,0,0,0|2,0,0]=3 1810 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [1,0,0,0,0,0|2,0,0]=3 1811 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [1,0,0,0,0,0|2,0,0]=3 1812 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [1,0,0,0,0,0|2,0,0]=3 1813 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [1,0,0,0,0,0|2,0,0]=3 1814 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [1,0,0,0,0,0|2,0,0]=3 1815 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [1,0,0,0,0,0|2,0,0]=3 1816 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [1,0,0,0,0,0|2,0,0]=3 1817 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [1,0,0,0,0,0|2,0,0]=3 1818 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [1,0,0,0,0,0|2,0,0]=3 1819 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [1,0,0,0,0,0|2,0,0]=3 1820 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [1,0,0,0,0,0|2,0,0]=3 1821 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [1,0,0,0,0,0|2,0,0]=3 1822 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [1,0,0,0,0,0|2,0,0]=3 1823 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [1,0,0,0,0,0|2,0,0]=3 1824 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [1,0,0,0,0,0|2,0,0]=3 1825 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [1,0,0,0,0,0|2,0,0]=3 1826 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [1,0,0,0,0,0|2,0,0]=3 1827 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [1,0,0,0,0,0|2,0,0]=3 1828 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [1,0,0,0,0,0|2,0,0]=3 1829 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [1,0,0,0,0,0|2,0,0]=3 1830 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [1,0,0,0,0,0|2,0,0]=3 1831 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [1,0,0,0,0,0|2,0,0]=3 1832 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [1,0,0,0,0,0|2,0,0]=3 1833 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [1,0,0,0,0,0|2,0,0]=3 1834 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [1,0,0,0,0,0|2,0,0]=3 1835 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [1,0,0,0,0,0|2,0,0]=3 1836 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [1,0,0,0,0,0|2,0,0]=3 1837 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [1,0,0,0,0,0|2,0,0]=3 1838 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [1,0,0,0,0,0|2,0,0]=3 1839 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [1,0,0,0,0,0|2,0,0]=3 1840 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [1,0,0,0,0,0|3,0,0]=4 1841 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [1,0,0,0,0,0|3,0,0]=4 1842 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [1,0,0,0,0,0|2,0,1]=4 1843 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [1,0,0,0,0,0|2,0,1]=4 1844 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [1,0,0,0,0,0|2,0,1]=4 1845 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [1,0,0,0,0,0|2,0,1]=4 1846 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [1,0,0,0,0,0|2,0,0]=3 1847 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [1,0,0,0,0,0|2,0,0]=3 1848 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [1,0,0,0,0,0|2,0,0]=3 1849 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [1,0,0,0,0,0|2,0,0]=3 1850 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [1,0,0,0,0,0|2,0,0]=3 1851 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [1,0,0,0,0,0|2,0,0]=3 1852 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [1,0,0,0,0,0|3,0,0]=4 1853 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [1,0,0,0,0,0|2,0,0]=3 1854 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [1,0,0,0,0,0|2,0,0]=3 1855 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [1,0,0,0,0,0|3,0,0]=4 1856 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [1,0,0,0,0,0|3,0,0]=4 1857 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [1,0,0,0,0,0|3,0,0]=4 1858 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [1,0,0,0,0,0|3,0,0]=4 1859 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [1,0,0,0,0,0|3,0,0]=4 1860 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [1,0,0,0,0,0|3,0,0]=4 1861 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [1,0,0,0,0,0|3,0,0]=4 1862 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [1,0,0,0,0,0|3,0,0]=4 1863 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [1,0,0,0,0,0|3,0,0]=4 1864 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [1,0,0,0,0,0|3,0,0]=4 1865 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [1,0,0,0,0,0|3,0,0]=4 1866 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [1,0,0,0,0,0|1,0,0]=2 1867 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [1,0,0,0,0,0|2,0,0]=3 1868 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [1,0,0,0,0,0|2,0,0]=3 1869 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [1,0,0,0,0,0|2,0,0]=3 1870 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [1,0,0,0,0,0|2,0,0]=3 1871 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [1,0,0,0,0,0|2,0,0]=3 1872 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [1,0,0,0,0,0|2,0,0]=3 1873 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [1,0,0,0,0,0|2,0,0]=3 1874 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [1,0,0,0,0,0|2,0,0]=3 1875 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [1,0,0,0,0,0|2,0,0]=3 1876 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [1,0,0,0,0,0|2,0,0]=3 1877 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [1,0,0,0,0,0|3,0,0]=4 1878 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [1,0,0,0,0,0|3,0,0]=4 1879 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [1,0,0,0,0,0|3,0,0]=4 1880 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [1,0,0,0,0,0|3,0,0]=4 1881 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [1,0,0,0,0,0|3,0,0]=4 1882 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,0,0,0,0,0|3,0,0]=4 1883 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [1,0,0,0,0,0|3,0,0]=4 1884 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [1,0,0,0,0,0|3,0,0]=4 1885 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [1,0,0,0,0,0|3,0,0]=4 1886 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,0,0,0,0,0|3,0,0]=4 1887 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,0,0,0,0,0|3,0,0]=4 1888 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,0,0,0,0,0|3,0,0]=4 1889 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,0,0,0,0,0|0,0,2]=3 1890 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [1,0,0,0,0,0|1,0,2]=4 1891 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [1,0,0,0,0,0|1,0,2]=4 1892 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [1,0,0,0,0,0|0,0,2]=3 1893 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [1,0,0,0,0,0|0,0,2]=3 1894 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [1,0,0,0,0,0|1,0,2]=4 1895 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,0,0,0,0,0|1,0,2]=4 1896 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [1,0,0,0,0,0|1,0,2]=4 1897 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [1,0,0,0,0,0|1,0,2]=4 1898 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [1,0,0,0,0,0|1,0,2]=4 1899 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [1,0,0,0,0,0|1,0,2]=4 1900 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [1,0,0,0,0,0|1,0,2]=4 1901 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [1,0,0,0,0,0|1,0,2]=4 1902 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [1,0,0,0,0,0|1,0,2]=4 1903 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [1,0,0,0,0,0|1,0,2]=4 1904 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [1,0,0,0,0,0|1,0,2]=4 1905 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [1,0,0,0,0,0|1,0,2]=4 1906 B11R0.40 C#CCCCCSCC(=O)CC 62a_100000747405_100010269958 [1,0,0,0,0,0|1,0,2]=4 1907 B11R0.40 C#CCCCCSCC(=O)CC 62a_100010269958_100000747405 [1,0,0,0,0,0|1,0,2]=4 1908 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [1,0,0,0,0,0|1,0,2]=4 1909 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [1,0,0,0,0,0|1,0,2]=4 1910 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [1,0,0,0,0,0|1,0,2]=4 1911 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [1,0,0,0,0,0|1,0,2]=4 1912 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [1,0,0,0,0,0|1,0,2]=4 1913 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [1,0,0,0,0,0|1,0,2]=4 1914 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [1,0,0,0,0,0|1,0,2]=4 1915 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [1,0,0,0,0,0|1,0,2]=4 1916 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [1,0,0,0,0,0|1,0,2]=4 1917 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [1,0,0,0,0,0|1,0,2]=4 1918 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [1,0,0,0,0,0|1,0,2]=4 1919 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [1,0,0,0,0,0|1,0,2]=4 1920 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [1,0,0,0,0,0|1,0,2]=4 1921 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [1,0,0,0,0,0|1,0,2]=4 1922 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [1,0,0,0,0,0|1,0,2]=4 1923 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [1,0,0,0,0,0|1,0,2]=4 1924 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [1,0,0,0,0,0|1,0,2]=4 1925 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [1,0,0,0,0,0|1,0,2]=4 1926 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [1,0,0,0,0,0|1,0,2]=4 1927 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [1,0,0,0,0,0|1,0,2]=4 1928 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,0,0,0,0,0|0,0,2]=3 1929 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,0,0,0,0,0|1,0,2]=4 1930 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [1,0,0,0,0,0|1,0,2]=4 1931 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,0,0,0,0,0|1,0,2]=4 1932 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,0,0,0,0,0|1,0,2]=4 1933 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,0,0,0,0,0|0,0,2]=3 1934 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,0,0,0,0,0|0,0,2]=3 1935 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [1,0,0,0,0,0|1,0,2]=4 1936 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,0,0,0,0,0|1,0,2]=4 1937 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [1,0,0,0,0,0|1,0,2]=4 1938 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [1,0,0,0,0,0|1,0,2]=4 1939 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [1,0,0,0,0,0|1,0,2]=4 1940 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [1,0,0,0,0,0|1,0,2]=4 1941 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [1,0,0,0,0,0|1,0,2]=4 1942 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [1,0,0,0,0,0|1,0,2]=4 1943 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [1,0,0,0,0,0|1,0,2]=4 1944 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [1,0,0,0,0,0|1,0,2]=4 1945 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [1,0,0,0,0,0|1,0,2]=4 1946 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [1,0,0,0,0,0|1,0,2]=4 1947 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [1,0,0,0,0,0|1,0,2]=4 1948 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [1,0,0,0,0,0|1,0,2]=4 1949 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [1,0,0,0,0,0|1,0,2]=4 1950 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [1,0,0,0,0,0|1,0,2]=4 1951 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [1,0,0,0,0,0|1,0,2]=4 1952 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [1,0,0,0,0,0|1,0,2]=4 1953 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [1,0,0,0,0,0|1,0,2]=4 1954 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [1,0,0,0,0,0|1,0,2]=4 1955 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [1,0,0,0,0,0|1,0,2]=4 1956 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [1,0,0,0,0,0|1,0,2]=4 1957 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [1,0,0,0,0,0|1,0,2]=4 1958 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [1,0,0,0,0,0|1,0,2]=4 1959 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [1,0,0,0,0,0|1,0,2]=4 1960 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [1,0,0,0,0,0|1,0,2]=4 1961 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [1,0,0,0,0,0|1,0,2]=4 1962 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [1,0,0,0,0,0|1,0,2]=4 1963 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [1,0,0,0,0,0|1,0,2]=4 1964 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [1,0,0,0,0,0|1,0,2]=4 1965 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [1,0,0,0,0,0|1,0,2]=4 1966 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [1,0,0,0,0,0|1,0,2]=4 1967 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [1,0,0,0,0,0|1,0,2]=4 1968 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [1,0,0,0,0,0|1,0,2]=4 1969 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [1,0,0,0,0,0|1,0,2]=4 1970 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [1,0,0,0,0,0|1,0,2]=4 1971 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [1,0,0,0,0,0|1,0,2]=4 1972 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [1,0,0,0,0,0|1,0,2]=4 1973 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [1,0,0,0,0,0|1,0,2]=4 1974 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [1,0,0,0,0,0|1,0,2]=4 1975 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [1,0,0,0,0,0|1,0,2]=4 1976 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [1,0,0,0,0,0|1,0,2]=4 1977 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [1,0,0,0,0,0|1,0,2]=4 1978 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [1,0,0,0,0,0|1,0,2]=4 1979 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [1,0,0,0,0,0|1,0,2]=4 1980 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [1,0,0,0,0,0|1,0,2]=4 1981 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [1,0,0,0,0,0|1,0,2]=4 1982 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [1,0,0,0,0,0|1,0,2]=4 1983 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [1,0,0,0,0,0|1,0,2]=4 1984 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [1,0,0,0,0,0|1,0,2]=4 1985 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [1,0,0,0,0,0|1,0,2]=4 1986 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [1,0,0,0,0,0|1,0,2]=4 1987 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [1,0,0,0,0,0|1,0,2]=4 1988 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [1,0,0,0,0,0|1,0,2]=4 1989 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [1,0,0,0,0,0|1,0,2]=4 1990 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [1,0,0,0,0,0|1,0,2]=4 1991 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [1,0,0,0,0,0|1,0,2]=4 1992 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [1,0,0,0,0,0|1,0,2]=4 1993 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [1,0,0,0,0,0|1,0,1]=3 1994 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,0,0,0,0,0|1,0,0]=2 1995 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,0,0,0,0,0|1,0,0]=2 1996 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,0,0,0,0,0|1,0,0]=2 1997 B11R0.40 CCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210202 [1,0,0,0,0,0|3,0,0]=4 1998 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [1,0,0,0,0,0|2,0,0]=3 1999 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [1,0,0,0,0,0|2,0,0]=3 2000 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [1,0,0,0,0,0|2,0,0]=3 2001 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [1,0,0,0,0,0|2,0,0]=3 2002 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [1,0,0,0,0,0|2,0,0]=3 2003 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [1,0,0,0,0,0|2,0,0]=3 2004 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [1,0,0,0,0,0|2,0,0]=3 2005 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [1,0,0,0,0,0|2,0,0]=3 2006 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [1,0,0,0,0,0|3,0,0]=4 2007 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [1,0,0,0,0,0|3,0,0]=4 2008 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [1,0,0,0,0,0|3,0,0]=4 2009 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [1,0,0,0,0,0|3,0,0]=4 2010 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [1,0,0,0,0,0|3,0,0]=4 2011 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [1,0,0,0,0,0|3,0,0]=4 2012 B11R0.40 CCC(=O)CSCCCCC#N 62a_100000747405_100000211819 [1,0,0,0,0,0|2,0,1]=4 2013 B11R0.40 CCC(=O)CSCCCCC#N 62a_100011219923_100000747405 [1,0,0,0,0,0|2,0,1]=4 2014 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [1,0,0,0,0,0|2,0,1]=4 2015 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [1,0,0,0,0,0|2,0,1]=4 2016 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [1,0,0,0,0,0|2,0,0]=3 2017 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [1,0,0,0,0,0|2,0,0]=3 2018 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [1,0,0,0,0,0|2,0,0]=3 2019 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [1,0,0,0,0,0|2,0,0]=3 2020 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [1,0,0,0,0,0|2,0,0]=3 2021 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [1,0,0,0,0,0|2,0,0]=3 2022 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [1,0,0,0,0,0|3,0,0]=4 2023 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [1,0,0,0,0,0|3,0,0]=4 2024 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [1,0,0,0,0,0|3,0,0]=4 2025 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [1,0,0,0,0,0|3,0,0]=4 2026 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [1,0,0,0,0,0|2,0,1]=4 2027 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [1,0,0,0,0,0|2,0,1]=4 2028 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [1,0,0,0,0,0|2,0,1]=4 2029 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [1,0,0,0,0,0|2,0,1]=4 2030 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [1,0,0,0,0,0|2,0,0]=3 2031 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [1,0,0,0,0,0|2,0,0]=3 2032 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [1,0,0,0,0,0|2,0,0]=3 2033 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [1,0,0,0,0,0|2,0,0]=3 2034 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [1,0,0,0,0,0|2,0,0]=3 2035 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [1,0,0,0,0,0|2,0,0]=3 2036 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [1,0,0,0,0,0|3,0,0]=4 2037 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [1,0,0,0,0,0|3,0,0]=4 2038 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [1,0,0,0,0,0|3,0,0]=4 2039 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [1,0,0,0,0,0|3,0,0]=4 2040 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [1,0,0,0,0,0|3,0,0]=4 2041 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [1,0,0,0,0,0|3,0,0]=4 2042 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [1,0,0,0,0,0|3,0,0]=4 2043 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [1,0,0,0,0,0|3,0,0]=4 2044 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [1,0,0,0,0,0|3,0,0]=4 2045 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [1,0,0,0,0,0|3,0,0]=4 2046 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [1,0,0,0,0,0|3,0,0]=4 2047 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [1,0,0,0,0,0|3,0,0]=4 2048 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [1,0,0,0,0,0|3,0,0]=4 2049 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [1,0,0,0,0,0|3,0,0]=4 2050 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [1,0,0,0,0,0|3,0,0]=4 2051 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [1,0,0,0,0,0|3,0,0]=4 2052 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [1,0,0,0,0,0|3,0,0]=4 2053 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [1,0,0,0,0,0|3,0,0]=4 2054 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [1,0,0,0,0,0|3,0,0]=4 2055 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [1,0,0,0,0,0|3,0,0]=4 2056 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [1,0,0,0,0,0|1,0,2]=4 2057 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [1,0,0,0,0,0|1,0,2]=4 2058 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [1,0,0,0,0,0|1,0,2]=4 2059 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [1,0,0,0,0,0|1,0,2]=4 2060 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [1,0,0,0,0,0|1,0,2]=4 2061 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [1,0,0,0,0,0|1,0,2]=4 2062 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [1,0,0,0,0,0|0,0,2]=3 2063 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [1,0,0,0,0,0|1,0,2]=4 2064 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [1,0,0,0,0,0|1,0,2]=4 2065 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [1,0,0,0,0,0|1,0,2]=4 2066 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [1,0,0,0,0,0|1,0,2]=4 2067 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [1,0,0,0,0,0|0,0,2]=3 2068 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,0,0,0,0,0|1,0,2]=4 2069 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [1,0,0,0,0,0|2,0,1]=4 2070 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,0,0,0,0,0|0,0,2]=3 2071 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,0,0,0,0,0|1,0,2]=4 2072 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [1,0,0,0,0,0|1,0,2]=4 2073 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [1,0,0,0,0,0|1,0,2]=4 2074 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [1,0,0,0,0,0|1,0,2]=4 2075 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,0,0,0,0,0|0,0,0]=1 2076 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,0,0,0,0,0|0,0,0]=1 2077 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,0,0,0,0,0|1,0,0]=2 2078 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,0,0,0,0,0|1,0,0]=2 2079 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,0,0,0,0,0|1,0,0]=2 2080 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,0,0,0,0,0|1,0,0]=2 2081 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,0,0,0,0,0|1,0,0]=2 2082 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,0,0,0,0,0|1,0,0]=2 2083 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,0,0,0,0,0|2,0,1]=4 2084 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,0,0,0,0,0|1,0,1]=3 2085 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,0,0,0,0,0|1,0,1]=3 2086 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,0,0,0,0,0|1,0,1]=3 2087 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,0,0,0,0,0|1,0,1]=3 2088 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,0,0,0,0,0|2,0,0]=3 2089 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,0,0,0,0,0|2,0,0]=3 2090 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,0,0,0,0,0|2,0,0]=3 2091 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,0,0,0,0,0|2,0,0]=3 2092 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [1,0,0,0,0,0|3,0,0]=4 2093 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,0,0,0,0,0|1,0,0]=2 2094 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,0,0,0,0,0|1,0,0]=2 2095 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,0,0,0,0,0|1,0,0]=2 2096 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,0,0,0,0,0|1,0,0]=2 2097 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,0,0,0,0,0|2,0,0]=3 2098 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,0,0,0,0,0|2,0,0]=3 2099 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,0,0,0,0,0|2,0,0]=3 2100 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,0,0,0,0,0|2,0,0]=3 2101 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,0,0,0,0,0|2,0,0]=3 2102 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,0,0,0,0,0|2,0,0]=3 2103 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,0,0,0,0,0|2,0,0]=3 2104 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,0,0,0,0,0|2,0,0]=3 2105 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [1,0,0,0,0,0|2,0,1]=4 2106 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [1,0,0,0,0,0|2,0,1]=4 2107 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,0,0,0,0,0|2,0,1]=4 2108 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,0,0,0,0,0|2,0,1]=4 2109 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,0,0,0,0,0|2,0,1]=4 2110 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [1,0,0,0,0,0|2,0,1]=4 2111 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [1,0,0,0,0,0|2,0,1]=4 2112 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [1,0,0,0,0,0|2,0,1]=4 2113 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [1,0,0,0,0,0|2,0,1]=4 2114 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,0,0,0,0,0|2,0,0]=3 2115 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,0,0,0,0,0|2,0,0]=3 2116 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,0,0,0,0,0|1,0,0]=2 2117 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [1,0,0,0,0,0|2,0,1]=4 2118 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [1,0,0,0,0,0|2,0,1]=4 2119 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [1,0,0,0,0,0|2,0,1]=4 2120 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [1,0,0,0,0,0|1,0,2]=4 2121 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [1,0,0,0,0,0|1,0,2]=4 2122 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [1,0,0,0,0,0|2,0,1]=4 2123 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [1,0,0,0,0,0|2,0,1]=4 2124 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,0,0,0,0,0|1,0,0]=2 2125 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,0,0,0,0,0|1,0,0]=2 2126 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,0,0,0,0,0|2,0,0]=3 2127 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,0,0,0,0,0|2,0,0]=3 2128 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,0,0,0,0,0|2,0,0]=3 2129 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,0,0,0,0,0|1,0,0]=2 2130 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,0,0,0,0,0|1,0,0]=2 2131 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [1,0,0,0,0,0|2,0,1]=4 2132 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [1,0,0,0,0,0|2,0,1]=4 2133 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [1,0,0,0,0,0|2,0,1]=4 2134 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [1,0,0,0,0,0|1,0,2]=4 2135 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [1,0,0,0,0,0|1,0,2]=4 2136 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [1,0,0,0,0,0|2,0,1]=4 2137 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [1,0,0,0,0,0|2,0,1]=4 2138 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [1,0,0,0,0,0|2,0,1]=4 2139 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,0,0,0,0,0|1,0,0]=2 2140 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,0,0,0,0,0|1,0,0]=2 2141 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,0,0,0,0,0|2,0,0]=3 2142 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,0,0,0,0,0|2,0,0]=3 2143 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,0,0,0,0,0|1,0,0]=2 2144 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,0,0,0,0,0|1,0,0]=2 2145 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [1,0,0,0,0,0|2,0,1]=4 2146 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [1,0,0,0,0,0|2,0,1]=4 2147 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [1,0,0,0,0,0|1,0,2]=4 2148 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [1,0,0,0,0,0|1,0,2]=4 2149 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [1,0,0,0,0,0|2,0,1]=4 2150 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [1,0,0,0,0,0|2,0,1]=4 2151 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,0,0,0,0,0|2,0,0]=3 2152 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,0,0,0,0,0|2,0,0]=3 2153 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,0,0,0,0,0|2,0,0]=3 2154 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,0,0,0,0,0|1,0,0]=2 2155 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [1,0,0,0,0,0|2,0,1]=4 2156 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [1,0,0,0,0,0|2,0,1]=4 2157 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,0,0,0,0,0|2,0,0]=3 2158 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,0,0,0,0,0|2,0,0]=3 2159 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,0,0,0,0,0|2,0,0]=3 2160 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,0,0,0,0,0|1,0,0]=2 2161 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,0,0,0,0,0|1,0,0]=2 2162 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [1,0,0,0,0,0|2,0,1]=4 2163 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [1,0,0,0,0,0|2,0,1]=4 2164 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,0,0,0,0,0|2,0,0]=3 2165 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,0,0,0,0,0|2,0,0]=3 2166 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,0,0,0,0,0|1,0,0]=2 2167 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,0,0,0,0,0|1,0,0]=2 2168 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [1,0,0,0,0,0|2,0,0]=3 2169 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [1,0,0,0,0,0|1,0,2]=4 2170 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [1,0,0,0,0,0|1,0,2]=4 2171 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,0,0,0,0,0|2,0,0]=3 2172 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,0,0,0,0,0|2,0,0]=3 2173 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,0,0,0,0,0|2,0,0]=3 2174 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,0,0,0,0,0|2,0,0]=3 2175 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,0,0,0,0,0|1,0,0]=2 2176 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,0,0,0,0,0|1,0,0]=2 2177 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [1,0,0,0,0,0|3,0,0]=4 2178 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [1,0,0,0,0,0|3,0,0]=4 2179 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [1,0,0,0,0,0|2,0,0]=3 2180 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [1,0,0,0,0,0|3,0,0]=4 2181 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [1,0,0,0,0,0|3,0,0]=4 2182 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [1,0,0,0,0,0|2,0,1]=4 2183 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [1,0,0,0,0,0|1,0,2]=4 2184 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [1,0,0,0,0,0|1,0,2]=4 2185 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,0,0,0,0,0|2,0,0]=3 2186 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,0,0,0,0,0|2,0,0]=3 2187 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [1,0,0,0,0,0|3,0,0]=4 2188 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,0,0,0,0,0|1,0,0]=2 2189 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,0,0,0,0,0|1,0,0]=2 2190 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [1,0,0,0,0,0|2,0,1]=4 2191 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [1,0,0,0,0,0|3,0,0]=4 2192 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [1,0,0,0,0,0|2,0,0]=3 2193 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [1,0,0,0,0,0|2,0,0]=3 2194 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [1,0,0,0,0,0|2,0,0]=3 2195 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [1,0,0,0,0,0|2,0,0]=3 2196 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [1,0,0,0,0,0|3,0,0]=4 2197 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [1,0,0,0,0,0|3,0,0]=4 2198 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [1,0,0,0,0,0|2,0,0]=3 2199 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [1,0,0,0,0,0|3,0,0]=4 2200 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [1,0,0,0,0,0|2,0,0]=3 2201 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [1,0,0,0,0,0|3,0,0]=4 2202 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [1,0,0,0,0,0|2,0,0]=3 2203 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [1,0,0,0,0,0|2,0,0]=3 2204 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [1,0,0,0,0,0|3,0,0]=4 2205 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [1,0,0,0,0,0|3,0,0]=4 2206 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [1,0,0,0,0,0|2,0,0]=3 2207 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [1,0,0,0,0,0|2,0,0]=3 2208 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [1,0,0,0,0,0|1,0,2]=4 2209 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [1,0,0,0,0,0|1,0,2]=4 2210 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,0,0,0,0,0|2,0,0]=3 2211 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,0,0,0,0,0|2,0,0]=3 2212 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,0,0,0,0,0|1,0,0]=2 2213 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,0,0,0,0,0|1,0,0]=2 2214 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [1,0,0,0,0,0|3,0,0]=4 2215 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [1,0,0,0,0,0|2,0,0]=3 2216 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [1,0,0,0,0,0|2,0,0]=3 2217 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [1,0,0,0,0,0|2,0,0]=3 2218 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [1,0,0,0,0,0|2,0,0]=3 2219 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [1,0,0,0,0,0|3,0,0]=4 2220 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [1,0,0,0,0,0|3,0,0]=4 2221 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [1,0,0,0,0,0|3,0,0]=4 2222 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [1,0,0,0,0,0|3,0,0]=4 2223 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [1,0,0,0,0,0|3,0,0]=4 2224 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [1,0,0,0,0,0|3,0,0]=4 2225 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [1,0,0,0,0,0|3,0,0]=4 2226 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [1,0,0,0,0,0|3,0,0]=4 2227 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [1,0,0,0,0,0|3,0,0]=4 2228 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [1,0,0,0,0,0|3,0,0]=4 2229 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [1,0,0,0,0,0|2,0,1]=4 2230 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,0,0,0,0,0|1,0,0]=2 2231 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,0,0,0,0,0|1,0,0]=2 2232 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,0,0,0,0,0|1,0,0]=2 2233 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [1,0,0,0,0,0|2,0,0]=3 2234 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [1,0,0,0,0,0|2,0,0]=3 2235 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [1,0,0,0,0,0|2,0,0]=3 2236 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [1,0,0,0,0,0|3,0,0]=4 2237 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [1,0,0,0,0,0|3,0,0]=4 2238 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [1,0,0,0,0,0|3,0,0]=4 2239 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [1,0,0,0,0,0|3,0,0]=4 2240 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [1,0,0,0,0,0|3,0,0]=4 2241 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [1,0,0,0,0,0|3,0,0]=4 2242 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [1,0,0,0,0,0|3,0,0]=4 2243 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [1,0,0,0,0,0|3,0,0]=4 2244 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [1,0,0,0,0,0|3,0,0]=4 2245 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [1,0,0,0,0,0|3,0,0]=4 2246 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [1,0,0,0,0,0|3,0,0]=4 2247 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [1,0,0,0,0,0|2,0,0]=3 2248 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [1,0,0,0,0,0|2,0,0]=3 2249 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [1,0,0,0,0,0|2,0,0]=3 2250 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [1,0,0,0,0,0|2,0,0]=3 2251 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [1,0,0,0,0,0|3,0,0]=4 2252 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [1,0,0,0,0,0|3,0,0]=4 2253 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [1,0,0,0,0,0|3,0,0]=4 2254 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [1,0,0,0,0,0|2,0,0]=3 2255 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [1,0,0,0,0,0|2,0,0]=3 2256 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [1,0,0,0,0,0|2,0,0]=3 2257 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [1,0,0,0,0,0|2,0,0]=3 2258 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [1,0,0,0,0,0|2,0,0]=3 2259 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [1,0,0,0,0,0|3,0,0]=4 2260 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [1,0,0,0,0,0|3,0,0]=4 2261 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [1,0,0,0,0,0|2,0,0]=3 2262 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [1,0,0,0,0,0|2,0,0]=3 2263 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,0,0,0,0,0|1,0,0]=2 2264 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,0,0,0,0,0|1,0,0]=2 2265 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [1,0,0,0,0,0|3,0,0]=4 2266 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [1,0,0,0,0,0|2,0,0]=3 2267 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [1,0,0,0,0,0|2,0,0]=3 2268 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [1,0,0,0,0,0|3,0,0]=4 2269 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [1,0,0,0,0,0|3,0,0]=4 2270 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [1,0,0,0,0,0|2,0,0]=3 2271 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [1,0,0,0,0,0|2,0,0]=3 2272 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [1,0,0,0,0,0|2,0,0]=3 2273 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [1,0,0,0,0,0|2,0,0]=3 2274 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [1,0,0,0,0,0|3,0,0]=4 2275 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [1,0,0,0,0,0|3,0,0]=4 2276 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [1,0,0,0,0,0|3,0,0]=4 2277 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [1,0,0,0,0,0|3,0,0]=4 2278 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,0,0,0,0,0|1,0,0]=2 2279 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [1,0,0,0,0,0|2,0,1]=4 2280 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,0,0,0,0,0|1,0,0]=2 2281 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,0,0,0,0,0|1,0,0]=2 2282 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,0,0,0,0,0|1,0,0]=2 2283 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [1,0,0,0,0,0|2,0,1]=4 2284 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [1,0,0,0,0,0|3,0,0]=4 2285 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [1,0,0,0,0,0|3,0,0]=4 2286 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [1,0,0,0,0,0|3,0,0]=4 2287 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [1,0,0,0,0,0|2,0,0]=3 2288 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [1,0,0,0,0,0|2,0,0]=3 2289 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [1,0,0,0,0,0|2,0,0]=3 2290 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [1,0,0,0,0,0|2,0,0]=3 2291 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [1,0,0,0,0,0|3,0,0]=4 2292 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [1,0,0,0,0,0|3,0,0]=4 2293 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [1,0,0,0,0,0|3,0,0]=4 2294 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [1,0,0,0,0,0|2,0,0]=3 2295 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [1,0,0,0,0,0|2,0,0]=3 2296 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [1,0,0,0,0,0|2,0,0]=3 2297 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [1,0,0,0,0,0|2,0,0]=3 2298 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [1,0,0,0,0,0|3,0,0]=4 2299 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [1,0,0,0,0,0|3,0,0]=4 2300 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [1,0,0,0,0,0|2,0,0]=3 2301 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [1,0,0,0,0,0|2,0,0]=3 2302 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [1,0,0,0,0,0|3,0,0]=4 2303 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [1,0,0,0,0,0|3,0,0]=4 2304 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [1,0,0,0,0,0|3,0,0]=4 2305 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [1,0,0,0,0,0|3,0,0]=4 2306 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [1,0,0,0,0,0|2,0,0]=3 2307 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [1,0,0,0,0,0|2,0,0]=3 2308 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [1,0,0,0,0,0|2,0,0]=3 2309 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [1,0,0,0,0,0|3,0,0]=4 2310 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [1,0,0,0,0,0|3,0,0]=4 2311 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [1,0,0,0,0,0|3,0,0]=4 2312 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [1,0,0,0,0,0|3,0,0]=4 2313 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [1,0,0,0,0,0|2,0,0]=3 2314 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [1,0,0,0,0,0|2,0,0]=3 2315 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [1,0,0,0,0,0|3,0,0]=4 2316 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [1,0,0,0,0,0|3,0,0]=4 2317 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [1,0,0,0,0,0|2,0,0]=3 2318 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [1,0,0,0,0,0|2,0,0]=3 2319 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [1,0,0,0,0,0|3,0,0]=4 2320 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [1,0,0,0,0,0|3,0,0]=4 2321 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [1,0,0,0,0,0|3,0,0]=4 2322 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [1,0,0,0,0,0|2,0,0]=3 2323 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [1,0,0,0,0,0|2,0,0]=3 2324 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,0,0,0,0,0|1,0,0]=2 2325 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,0,0,0,0,0|1,0,0]=2 2326 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [1,0,0,0,0,0|2,0,0]=3 2327 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [1,0,0,0,0,0|3,0,0]=4 2328 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [1,0,0,0,0,0|3,0,0]=4 2329 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [1,0,0,0,0,0|2,0,0]=3 2330 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [1,0,0,0,0,0|2,0,0]=3 2331 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [1,0,0,0,0,0|3,0,0]=4 2332 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [1,0,0,0,0,0|3,0,0]=4 2333 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [1,0,0,0,0,0|3,0,0]=4 2334 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [1,0,0,0,0,0|2,0,0]=3 2335 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [1,0,0,0,0,0|3,0,0]=4 2336 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [1,0,0,0,0,0|3,0,0]=4 2337 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [1,0,0,0,0,0|3,0,0]=4 2338 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [1,0,0,0,0,0|2,0,0]=3 2339 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [1,0,0,0,0,0|2,0,0]=3 2340 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [1,0,0,0,0,0|3,0,0]=4 2341 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [1,0,0,0,0,0|3,0,0]=4 2342 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [1,0,0,0,0,0|2,0,0]=3 2343 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [1,0,0,0,0,0|2,0,0]=3 2344 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [1,0,0,0,0,0|3,0,0]=4 2345 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,0,0,0,0,0|2,0,0]=3 2346 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [1,0,0,0,0,0|3,0,0]=4 2347 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [1,0,0,0,0,0|3,0,0]=4 2348 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [1,0,0,0,0,0|3,0,0]=4 2349 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [1,0,0,0,0,0|3,0,0]=4 2350 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [1,0,0,0,0,0|3,0,0]=4 2351 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [1,0,0,0,0,0|3,0,0]=4 2352 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [1,0,0,0,0,0|3,0,0]=4 2353 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [1,0,0,0,0,0|3,0,0]=4 2354 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [1,0,0,0,0,0|3,0,0]=4 2355 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [1,0,0,0,0,0|3,0,0]=4 2356 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [1,0,0,0,0,0|3,0,0]=4 2357 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [1,0,0,0,0,0|3,0,0]=4 2358 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [1,0,0,0,0,0|3,0,0]=4 2359 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [1,0,0,0,0,0|3,0,0]=4 2360 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [1,0,0,0,0,0|3,0,0]=4 2361 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [1,0,0,0,0,0|3,0,0]=4 2362 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [1,0,0,0,0,0|3,0,0]=4 2363 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [1,0,0,0,0,0|3,0,0]=4 2364 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [1,0,0,0,0,0|3,0,0]=4 2365 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [1,0,0,0,0,0|3,0,0]=4 2366 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [1,0,0,0,0,0|3,0,0]=4 2367 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [1,0,0,0,0,0|3,0,0]=4 2368 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [1,0,0,0,0,0|3,0,0]=4 2369 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [1,0,0,0,0,0|3,0,0]=4 2370 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [1,0,0,0,0,0|3,0,0]=4 2371 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [1,0,0,0,0,0|3,0,0]=4 2372 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [1,0,0,0,0,0|3,0,0]=4 2373 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [1,0,0,0,0,0|3,0,0]=4 2374 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [1,0,0,0,0,0|3,0,0]=4 2375 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [1,0,0,0,0,0|3,0,0]=4 2376 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [1,0,0,0,0,0|3,0,0]=4 2377 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [1,0,0,0,0,0|3,0,0]=4 2378 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [1,0,0,0,0,0|3,0,0]=4 2379 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [1,0,0,0,0,0|3,0,0]=4 2380 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [1,0,0,0,0,0|3,0,0]=4 2381 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [1,0,0,0,0,0|3,0,0]=4 2382 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [1,0,0,0,0,0|3,0,0]=4 2383 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [1,0,0,0,0,0|3,0,0]=4 2384 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [1,0,0,0,0,0|3,0,0]=4 2385 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [1,0,0,0,0,0|3,0,0]=4 2386 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [1,0,0,0,0,0|3,0,0]=4 2387 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [1,0,0,0,0,0|3,0,0]=4 2388 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [1,0,0,0,0,0|3,0,0]=4 2389 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [1,0,0,0,0,0|3,0,0]=4 2390 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [1,0,0,0,0,0|3,0,0]=4 2391 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [1,0,0,0,0,0|3,0,0]=4 2392 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [1,0,0,0,0,0|3,0,0]=4 2393 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [1,0,0,0,0,0|3,0,0]=4 2394 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [1,0,0,0,0,0|3,0,0]=4 2395 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [1,0,0,0,0,0|3,0,0]=4 2396 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [1,0,0,0,0,0|3,0,0]=4 2397 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [1,0,0,0,0,0|3,0,0]=4 2398 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [1,0,0,0,0,0|3,0,0]=4 2399 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [1,0,0,0,0,0|3,0,0]=4 2400 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [1,0,0,0,0,0|3,0,0]=4 2401 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [1,0,0,0,0,0|3,0,0]=4 2402 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [1,0,0,0,0,0|3,0,0]=4 2403 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [1,0,0,0,0,0|3,0,0]=4 2404 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [1,0,0,0,0,0|3,0,0]=4 2405 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [1,0,0,0,0,0|3,0,0]=4 2406 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [1,0,0,0,0,0|3,0,0]=4 2407 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [1,0,0,0,0,0|3,0,0]=4 2408 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [1,0,0,0,0,0|3,0,0]=4 2409 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [1,0,0,0,0,0|3,0,0]=4 2410 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [1,0,0,0,0,0|3,0,0]=4 2411 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [1,0,0,0,0,0|3,0,0]=4 2412 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [1,0,0,0,0,0|3,0,0]=4 2413 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [1,0,0,0,0,0|3,0,0]=4 2414 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [1,0,0,0,0,0|3,0,0]=4 2415 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [1,0,0,0,0,0|3,0,0]=4 2416 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [1,0,0,0,0,0|3,0,0]=4 2417 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [1,0,0,0,0,0|3,0,0]=4 2418 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [1,0,0,0,0,0|3,0,0]=4 2419 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [1,0,0,0,0,0|3,0,0]=4 2420 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [1,0,0,0,0,0|3,0,0]=4 2421 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [1,0,0,0,0,0|3,0,0]=4 2422 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [1,0,0,0,0,0|3,0,0]=4 2423 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [1,0,0,0,0,0|3,0,0]=4 2424 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [1,0,0,0,0,0|3,0,0]=4 2425 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [1,0,0,0,0,0|3,0,0]=4 2426 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [1,0,0,0,0,0|3,0,0]=4 2427 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [1,0,0,0,0,0|3,0,0]=4 2428 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [1,0,0,0,0,0|3,0,0]=4 2429 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [1,0,0,0,0,0|3,0,0]=4 2430 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [1,0,0,0,0,0|3,0,0]=4 2431 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [1,0,0,0,0,0|3,0,0]=4 2432 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [1,0,0,0,0,0|3,0,0]=4 2433 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [1,0,0,0,0,0|3,0,0]=4 2434 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [1,0,0,0,0,0|3,0,0]=4 2435 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [1,0,0,0,0,0|3,0,0]=4 2436 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [1,0,0,0,0,0|3,0,0]=4 2437 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,0,0,0,0,0|1,0,0]=2 2438 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,0,0,0,0,0|1,0,0]=2 2439 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,0,0,0,0,0|1,0,0]=2 2440 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [1,0,0,0,0,0|3,0,0]=4 2441 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [1,0,0,0,0,0|2,0,0]=3 2442 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,0,0,0,0,0|1,0,0]=2 2443 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,0,0,0,0,0|1,0,0]=2 2444 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,0,0,0,0,0|1,0,0]=2 2445 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,0,0,0,0,0|1,0,0]=2 2446 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,0,0,0,0,0|1,0,0]=2 2447 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,0,0,0,0,0|1,0,0]=2 2448 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [1,0,0,0,0,0|2,0,0]=3 2449 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [1,0,0,0,0,0|2,0,0]=3 2450 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [1,0,0,0,0,0|2,0,0]=3 2451 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [1,0,0,0,0,0|2,0,0]=3 2452 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [1,0,0,0,0,0|2,0,0]=3 2453 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [1,0,0,0,0,0|2,0,0]=3 2454 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [1,0,0,0,0,0|2,0,0]=3 2455 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [1,0,0,0,0,0|2,0,1]=4 2456 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [1,0,0,0,0,0|2,0,1]=4 2457 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [1,0,0,0,0,0|2,0,1]=4 2458 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [1,0,0,0,0,0|2,0,0]=3 2459 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [1,0,0,0,0,0|2,0,0]=3 2460 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [1,0,0,0,0,0|2,0,0]=3 2461 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [1,0,0,0,0,0|2,0,0]=3 2462 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [1,0,0,0,0,0|2,0,0]=3 2463 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [1,0,0,0,0,0|2,0,0]=3 2464 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [1,0,0,0,0,0|2,0,0]=3 2465 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [1,0,0,0,0,0|2,0,1]=4 2466 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [1,0,0,0,0,0|2,0,1]=4 2467 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [1,0,0,0,0,0|2,0,1]=4 2468 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [1,0,0,0,0,0|2,0,1]=4 2469 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [1,0,0,0,0,0|2,0,0]=3 2470 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [1,0,0,0,0,0|2,0,0]=3 2471 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [1,0,0,0,0,0|2,0,0]=3 2472 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [1,0,0,0,0,0|2,0,0]=3 2473 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [1,0,0,0,0,0|2,0,0]=3 2474 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [1,0,0,0,0,0|2,0,0]=3 2475 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [1,0,0,0,0,0|2,0,0]=3 2476 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [1,0,0,0,0,0|2,0,0]=3 2477 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [1,0,0,0,0,0|2,0,0]=3 2478 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [1,0,0,0,0,0|2,0,0]=3 2479 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [1,0,0,0,0,0|2,0,0]=3 2480 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [1,0,0,0,0,0|2,0,0]=3 2481 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [1,0,0,0,0,0|2,0,0]=3 2482 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [1,0,0,0,0,0|3,0,0]=4 2483 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [1,0,0,0,0,0|2,0,0]=3 2484 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [1,0,0,0,0,0|2,0,0]=3 2485 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [1,0,0,0,0,0|2,0,1]=4 2486 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [1,0,0,0,0,0|2,0,1]=4 2487 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [1,0,0,0,0,0|2,0,0]=3 2488 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [1,0,0,0,0,0|2,0,0]=3 2489 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [1,0,0,0,0,0|2,0,0]=3 2490 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [1,0,0,0,0,0|2,0,0]=3 2491 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [1,0,0,0,0,0|2,0,0]=3 2492 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [1,0,0,0,0,0|2,0,0]=3 2493 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [1,0,0,0,0,0|2,0,0]=3 2494 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [1,0,0,0,0,0|2,0,0]=3 2495 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [1,0,0,0,0,0|2,0,0]=3 2496 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [1,0,0,0,0,0|2,0,0]=3 2497 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [1,0,0,0,0,0|2,0,0]=3 2498 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [1,0,0,0,0,0|2,0,0]=3 2499 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [1,0,0,0,0,0|2,0,0]=3 2500 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [1,0,0,0,0,0|2,0,0]=3 2501 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [1,0,0,0,0,0|2,0,0]=3 2502 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [1,0,0,0,0,0|2,0,0]=3 2503 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [1,0,0,0,0,0|2,0,0]=3 2504 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [1,0,0,0,0,0|2,0,0]=3 2505 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [1,0,0,0,0,0|2,0,1]=4 2506 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [1,0,0,0,0,0|2,0,1]=4 2507 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [1,0,0,0,0,0|2,0,1]=4 2508 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [1,0,0,0,0,0|2,0,1]=4 2509 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [1,0,0,0,0,0|2,0,0]=3 2510 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [1,0,0,0,0,0|2,0,0]=3 2511 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [1,0,0,0,0,0|2,0,0]=3 2512 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [1,0,0,0,0,0|2,0,0]=3 2513 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [1,0,0,0,0,0|2,0,0]=3 2514 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [1,0,0,0,0,0|2,0,0]=3 2515 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [1,0,0,0,0,0|3,0,0]=4 2516 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [1,0,0,0,0,0|3,0,0]=4 2517 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [1,0,0,0,0,0|3,0,0]=4 2518 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [1,0,0,0,0,0|2,0,0]=3 2519 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [1,0,0,0,0,0|2,0,0]=3 2520 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [1,0,0,0,0,0|2,0,0]=3 2521 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [1,0,0,0,0,0|2,0,0]=3 2522 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [1,0,0,0,0,0|2,0,0]=3 2523 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [1,0,0,0,0,0|2,0,0]=3 2524 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [1,0,0,0,0,0|2,0,0]=3 2525 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [1,0,0,0,0,0|2,0,0]=3 2526 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [1,0,0,0,0,0|2,0,0]=3 2527 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [1,0,0,0,0,0|3,0,0]=4 2528 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [1,0,0,0,0,0|3,0,0]=4 2529 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [1,0,0,0,0,0|3,0,0]=4 2530 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [1,0,0,0,0,0|3,0,0]=4 2531 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [1,0,0,0,0,0|3,0,0]=4 2532 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [1,0,0,0,0,0|3,0,0]=4 2533 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [1,0,0,0,0,0|3,0,0]=4 2534 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [1,0,0,0,0,0|3,0,0]=4 2535 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [1,0,0,0,0,0|3,0,0]=4 2536 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [1,0,0,0,0,0|3,0,0]=4 2537 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [1,0,0,0,0,0|3,0,0]=4 2538 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [1,0,0,0,0,0|3,0,0]=4 2539 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [1,0,0,0,0,0|3,0,0]=4 2540 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [1,0,0,0,0,0|3,0,0]=4 2541 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [1,0,0,0,0,0|3,0,0]=4 2542 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [1,0,0,0,0,0|3,0,0]=4 2543 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [1,0,0,0,0,0|3,0,0]=4 2544 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [1,0,0,0,0,0|3,0,0]=4 2545 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [1,0,0,0,0,0|3,0,0]=4 2546 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [1,0,0,0,0,0|3,0,0]=4 2547 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [1,0,0,0,0,0|2,0,1]=4 2548 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [1,0,0,0,0,0|2,0,1]=4 2549 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [1,0,0,0,0,0|2,0,1]=4 2550 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [1,0,0,0,0,0|2,0,1]=4 2551 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [1,0,0,0,0,0|2,0,0]=3 2552 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [1,0,0,0,0,0|2,0,0]=3 2553 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [1,0,0,0,0,0|2,0,0]=3 2554 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [1,0,0,0,0,0|2,0,0]=3 2555 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [1,0,0,0,0,0|3,0,0]=4 2556 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [1,0,0,0,0,0|3,0,0]=4 2557 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [1,0,0,0,0,0|3,0,0]=4 2558 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [1,0,0,0,0,0|3,0,0]=4 2559 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [1,0,0,0,0,0|3,0,0]=4 2560 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [1,0,0,0,0,0|3,0,0]=4 2561 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [1,0,0,0,0,0|3,0,0]=4 2562 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [1,0,0,0,0,0|3,0,0]=4 2563 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [1,0,0,0,0,0|3,0,0]=4 2564 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [1,0,0,0,0,0|3,0,0]=4 2565 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,0,0,0,0,0|2,0,0]=3 2566 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,0,0,0,0,0|1,0,0]=2 2567 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,0,0,0,0,0|1,0,0]=2 2568 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,0,0,0,0,0|1,0,0]=2 2569 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [1,0,0,0,0,0|3,0,0]=4 2570 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [1,0,0,0,0,0|3,0,0]=4 2571 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [1,0,0,0,0,0|2,0,0]=3 2572 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [1,0,0,0,0,0|2,0,0]=3 2573 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [1,0,0,0,0,0|2,0,0]=3 2574 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [1,0,0,0,0,0|2,0,0]=3 2575 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [1,0,0,0,0,0|2,0,0]=3 2576 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [1,0,0,0,0,0|2,0,0]=3 2577 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [1,0,0,0,0,0|2,0,0]=3 2578 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [1,0,0,0,0,0|3,0,0]=4 2579 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [1,0,0,0,0,0|2,0,0]=3 2580 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,0,0,0,0,0|3,0,0]=4 2581 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [1,0,0,0,0,0|2,0,0]=3 2582 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [1,0,0,0,0,0|3,0,0]=4 2583 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [1,0,0,0,0,0|3,0,0]=4 2584 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [1,0,0,0,0,0|3,0,0]=4 2585 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [1,0,0,0,0,0|3,0,0]=4 2586 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [1,0,0,0,0,0|2,0,0]=3 2587 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [1,0,0,0,0,0|2,0,0]=3 2588 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [1,0,0,0,0,0|2,0,0]=3 2589 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [1,0,0,0,0,0|2,0,0]=3 2590 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [1,0,0,0,0,0|3,0,0]=4 2591 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [1,0,0,0,0,0|3,0,0]=4 2592 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,0,0,0,0,0|2,0,1]=4 2593 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,0,0,0,0,0|2,0,0]=3 2594 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,0,0,0,0,0|2,0,0]=3 2595 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,0,0,0,0,0|3,0,0]=4 2596 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,0,0,0,0,0|3,0,0]=4 2597 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,1,0,0,0,0|1,0,2]=4 2598 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,1,0,0,0,0|1,0,2]=4 2599 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,1,0,0,0,0|1,0,2]=4 2600 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,1,0,0,0,0|1,0,2]=4 2601 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,1,0,0,0,0|1,0,2]=4 2602 B13R0.2 C#CCCCCCCCC(=O)C#CC 1458a_100000763181_100153394163 [0,1,0,0,0,0|1,0,2]=4 2603 B13R0.2 C#CCCCCCCCC(=O)C=CC 1458a_100000210699_100153394163 [0,1,0,0,0,0|1,0,2]=4 2604 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,1,0,0,0,0|1,0,1]=3 2605 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,1,0,0,0,0|1,0,1]=3 2606 B13R0.2 C#CCCCCCCCC(=O)CCF 1458a_100000087357_100011217306 [0,1,0,0,0,0|2,0,1]=4 2607 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,1,0,0,0,0|2,0,1]=4 2608 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,1,0,0,0,0|2,0,1]=4 2609 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,1,0,0,0,0|2,0,1]=4 2610 B13R0.2 C#CCCCCCCCC(=O)CSC 1458a_100000184570_100153394163 [0,1,0,0,0,0|2,0,1]=4 2611 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [0,1,0,0,0,0|1,0,1]=3 2612 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [0,1,0,0,0,0|1,0,1]=3 2613 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [0,1,0,0,0,0|1,0,1]=3 2614 B13R0.2 C#CCCCCCCCC(=O)NNC 22a_100016993582_100000087357 [0,1,0,0,0,0|2,0,1]=4 2615 B13R0.2 C#CCCCCCNCC(=O)NCC 2230a_100016988866_100012094781 [0,1,0,0,0,0|1,0,2]=4 2616 B13R0.2 C#CCCCCCOCC(=O)CCC 7a_100000766912_100000747444 [0,1,0,0,0,0|1,0,2]=4 2617 B13R0.2 C#CCCCCCOCC(=O)NCC 34a_100000766912_100000183381 [0,1,0,0,0,0|1,0,2]=4 2618 B13R0.2 C#CCCCCCOCC(=O)NCC 7a_100000766912_100000183381 [0,1,0,0,0,0|1,0,2]=4 2619 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,1,0,0,0,0|0,0,2]=3 2620 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,1,0,0,0,0|0,0,2]=3 2621 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100000747444_100012094781 [0,1,0,0,0,0|1,0,2]=4 2622 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100012094781_100000747444 [0,1,0,0,0,0|1,0,2]=4 2623 B13R0.2 C#CCCCCCSCC(=O)NCC 62a_100000183381_100012094781 [0,1,0,0,0,0|1,0,2]=4 2624 B13R0.2 C#CCCCCCSCC(=O)NCC 62a_100012094781_100000183381 [0,1,0,0,0,0|1,0,2]=4 2625 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,1,0,0,0,0|0,0,2]=3 2626 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,1,0,0,0,0|0,0,2]=3 2627 B13R0.2 C#CCCCCNCCC(=O)NCC 2230a_100000706060_100000737597 [0,1,0,0,0,0|1,0,2]=4 2628 B13R0.2 C#CCCCCNCCC(=O)NCC 34a_100025743525_100010269958 [0,1,0,0,0,0|1,0,2]=4 2629 B13R0.2 C#CCCCCNCCC(=O)OCC 2230a_100000706060_100011206558 [0,1,0,0,0,0|0,0,2]=3 2630 B13R0.2 C#CCCCCNCCC(=O)OCC 34a_100000706060_100000765890 [0,1,0,0,0,0|0,0,2]=3 2631 B13R0.2 C#CCCCCOCCC(=O)NCC 7a_100000766709_100000737597 [0,1,0,0,0,0|1,0,2]=4 2632 B13R0.2 C#CCCCCOCCC(=O)OCC 34a_100000766709_100000765890 [0,1,0,0,0,0|0,0,2]=3 2633 B13R0.2 C#CCCCCOCCC(=O)OCC 7a_100000766709_100011206558 [0,1,0,0,0,0|0,0,2]=3 2634 B13R0.2 C#CCCCCSCCC(=O)NCC 62a_100000737597_100010269958 [0,1,0,0,0,0|1,0,2]=4 2635 B13R0.2 C#CCCCCSCCC(=O)NCC 62a_100010269958_100000737597 [0,1,0,0,0,0|1,0,2]=4 2636 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100000765890_100010269958 [0,1,0,0,0,0|0,0,2]=3 2637 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100010269958_100000765890 [0,1,0,0,0,0|0,0,2]=3 2638 B13R0.2 C#CCCCCSCOC(=O)OCC 62a_100010269958_100000075025 [0,1,0,0,0,0|1,0,2]=4 2639 B13R0.2 C#CCCCNCCCC(=O)OCC 34a_100000718082_100009991533 [0,1,0,0,0,0|0,0,2]=3 2640 B13R0.2 C#CCCCOCCCC(=O)OCC 34a_100000215630_100009991533 [0,1,0,0,0,0|0,0,2]=3 2641 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100000215630_100011215271 [0,1,0,0,0,0|0,0,2]=3 2642 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100012001163_100011215417 [0,1,0,0,0,0|0,0,2]=3 2643 B13R0.2 C#CCCCOCCNC(=O)OCC 34a_100000158857_100000695029 [0,1,0,0,0,0|1,0,2]=4 2644 B13R0.2 C#CCCCOCCNC(=O)OCC 7a_100000215630_200011445536 [0,1,0,0,0,0|1,0,2]=4 2645 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100009991533_100011215417 [0,1,0,0,0,0|0,0,2]=3 2646 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100011215417_100009991533 [0,1,0,0,0,0|0,0,2]=3 2647 B13R0.2 C#CCCCSCCNC(=O)OCC 62a_100011215417_200011445536 [0,1,0,0,0,0|1,0,2]=4 2648 B13R0.2 C#CCCNCCCCC(=O)OCC 34a_100000755551_100000750268 [0,1,0,0,0,0|0,0,2]=3 2649 B13R0.2 C#CCCNCCOCC(=O)OCC 34a_100000755551_100000088970 [0,1,0,0,0,0|1,0,2]=4 2650 B13R0.2 C#CCCOCCCCC(=O)OCC 34a_100011215631_100000750268 [0,1,0,0,0,0|0,0,2]=3 2651 B13R0.2 C#CCCOCCOCC(=O)OCC 34a_100011215631_100000088970 [0,1,0,0,0,0|1,0,2]=4 2652 B13R0.2 C#CCCOCCSCC(=O)OCC 7a_200000230590_100000688953 [0,1,0,0,0,0|1,0,2]=4 2653 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000688953_100000750268 [0,1,0,0,0,0|0,0,2]=3 2654 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000750268_100000688953 [0,1,0,0,0,0|0,0,2]=3 2655 B13R0.2 C#CCCSCCOCC(=O)OCC 62a_100000088970_100000688953 [0,1,0,0,0,0|1,0,2]=4 2656 B13R0.2 C#CCCSCCOCC(=O)OCC 62a_100000688953_100000088970 [0,1,0,0,0,0|1,0,2]=4 2657 B13R0.2 C#CCNCCCCCC(=O)OCC 34a_100000212058_100000755133 [0,1,0,0,0,0|0,0,2]=3 2658 B13R0.2 C#CCNCCCOCC(=O)OCC 34a_100000212058_100009893628 [0,1,0,0,0,0|1,0,2]=4 2659 B13R0.2 C#CCOCCCCCC(=O)OCC 34a_100000210247_100000755133 [0,1,0,0,0,0|0,0,2]=3 2660 B13R0.2 C#CCOCCCCCC(=O)OCC 7a_100011214988_100000038162 [0,1,0,0,0,0|0,0,2]=3 2661 B13R0.2 C#CCOCCCOCC(=O)OCC 34a_100000210247_100009893628 [0,1,0,0,0,0|1,0,2]=4 2662 B13R0.2 C#CCOCCNCCC(=O)OCC 2230a_100000700922_100011206558 [0,1,0,0,0,0|1,0,2]=4 2663 B13R0.2 C#CCOCCNCCC(=O)OCC 34a_100000700922_100000765890 [0,1,0,0,0,0|1,0,2]=4 2664 B13R0.2 C#CCOCCOCCC(=O)OCC 34a_100000054580_100000765890 [0,1,0,0,0,0|1,0,2]=4 2665 B13R0.2 C#CCOCCOCCC(=O)OCC 7a_100000054580_100011206558 [0,1,0,0,0,0|1,0,2]=4 2666 B13R0.2 C#CCOCCSCCC(=O)OCC 62a_100000765890_100010402529 [0,1,0,0,0,0|1,0,2]=4 2667 B13R0.2 C#CCOCCSCCC(=O)OCC 62a_100010402529_100000765890 [0,1,0,0,0,0|1,0,2]=4 2668 B13R0.2 C#CCSCCCCCC(=O)OCC 62a_100000038162_100000755133 [0,1,0,0,0,0|0,0,2]=3 2669 B13R0.2 C#CCSCCCOCC(=O)OCC 62a_100000038162_100009893628 [0,1,0,0,0,0|1,0,2]=4 2670 B13R0.2 C/C=C/CCOCCCC(=O)OCC 34a_100016278192_100009991533 [0,1,0,0,0,0|0,0,2]=3 2671 B13R0.2 C/C=C/COCCCCC(=O)OCC 34a_100016270725_100000750268 [0,1,0,0,0,0|0,0,2]=3 2672 B13R0.2 C/C=C/COCCOCC(=O)OCC 34a_100016270725_100000088970 [0,1,0,0,0,0|1,0,2]=4 2673 B13R0.2 C/C=C/COCCSCC(=O)OCC 7a_200000230590_100102629194 [0,1,0,0,0,0|1,0,2]=4 2674 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100000750268_100102629194 [0,1,0,0,0,0|0,0,2]=3 2675 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100102629194_100000750268 [0,1,0,0,0,0|0,0,2]=3 2676 B13R0.2 C/C=C/CSCCOCC(=O)OCC 62a_100000088970_100102629194 [0,1,0,0,0,0|1,0,2]=4 2677 B13R0.2 C/C=C/CSCCOCC(=O)OCC 62a_100102629194_100000088970 [0,1,0,0,0,0|1,0,2]=4 2678 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,1,0,0,0,0|1,0,2]=4 2679 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,1,0,0,0,0|1,0,2]=4 2680 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,1,0,0,0,0|1,0,2]=4 2681 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,1,0,0,0,0|1,0,2]=4 2682 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,1,0,0,0,0|1,0,2]=4 2683 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,1,0,0,0,0|1,0,2]=4 2684 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,1,0,0,0,0|1,0,2]=4 2685 B13R0.2 C=CCCCCCCCC(=O)C#CC 1458a_100000763181_100012355270 [0,1,0,0,0,0|1,0,2]=4 2686 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,1,0,0,0,0|1,0,2]=4 2687 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,1,0,0,0,0|1,0,1]=3 2688 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,1,0,0,0,0|1,0,1]=3 2689 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,1,0,0,0,0|2,0,1]=4 2690 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,1,0,0,0,0|2,0,1]=4 2691 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,1,0,0,0,0|2,0,1]=4 2692 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,1,0,0,0,0|2,0,1]=4 2693 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,1,0,0,0,0|2,0,1]=4 2694 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,1,0,0,0,0|1,0,1]=3 2695 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,1,0,0,0,0|1,0,1]=3 2696 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,1,0,0,0,0|1,0,1]=3 2697 B13R0.2 C=CCCCCCCCC(=O)NNC 22a_100016993582_100011216160 [0,1,0,0,0,0|2,0,1]=4 2698 B13R0.2 C=CCCCCCNCC(=O)NCC 2230a_100016988866_100000700193 [0,1,0,0,0,0|1,0,2]=4 2699 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,1,0,0,0,0|1,0,2]=4 2700 B13R0.2 C=CCCCCCOCC(=O)NCC 34a_100011216702_100000183381 [0,1,0,0,0,0|1,0,2]=4 2701 B13R0.2 C=CCCCCCOCC(=O)NCC 7a_100011216702_100000183381 [0,1,0,0,0,0|1,0,2]=4 2702 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,1,0,0,0,0|0,0,2]=3 2703 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,1,0,0,0,0|0,0,2]=3 2704 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,1,0,0,0,0|1,0,2]=4 2705 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,1,0,0,0,0|1,0,2]=4 2706 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000183381_100000700193 [0,1,0,0,0,0|1,0,2]=4 2707 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000700193_100000183381 [0,1,0,0,0,0|1,0,2]=4 2708 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,1,0,0,0,0|0,0,2]=3 2709 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,1,0,0,0,0|0,0,2]=3 2710 B13R0.2 C=CCCCCNCCC(=O)NCC 2230a_100000703577_100000737597 [0,1,0,0,0,0|1,0,2]=4 2711 B13R0.2 C=CCCCCNCCC(=O)NCC 34a_100025743525_100011215482 [0,1,0,0,0,0|1,0,2]=4 2712 B13R0.2 C=CCCCCNCCC(=O)OCC 2230a_100000703577_100011206558 [0,1,0,0,0,0|0,0,2]=3 2713 B13R0.2 C=CCCCCNCCC(=O)OCC 34a_100000703577_100000765890 [0,1,0,0,0,0|0,0,2]=3 2714 B13R0.2 C=CCCCCOCCC(=O)NCC 7a_100000766645_100000737597 [0,1,0,0,0,0|1,0,2]=4 2715 B13R0.2 C=CCCCCOCCC(=O)OCC 34a_100000766645_100000765890 [0,1,0,0,0,0|0,0,2]=3 2716 B13R0.2 C=CCCCCOCCC(=O)OCC 7a_100000766645_100011206558 [0,1,0,0,0,0|0,0,2]=3 2717 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100000737597_100011215482 [0,1,0,0,0,0|1,0,2]=4 2718 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100011215482_100000737597 [0,1,0,0,0,0|1,0,2]=4 2719 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100000765890_100011215482 [0,1,0,0,0,0|0,0,2]=3 2720 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100011215482_100000765890 [0,1,0,0,0,0|0,0,2]=3 2721 B13R0.2 C=CCCCCSCOC(=O)OCC 62a_100011215482_100000075025 [0,1,0,0,0,0|1,0,2]=4 2722 B13R0.2 C=CCCCNCCCC(=O)OCC 2230a_100000700776_100009991533 [0,1,0,0,0,0|0,0,2]=3 2723 B13R0.2 C=CCCCNCCCC(=O)OCC 34a_100000700776_100009991533 [0,1,0,0,0,0|0,0,2]=3 2724 B13R0.2 C=CCCCOCCCC(=O)OCC 34a_100000758997_100009991533 [0,1,0,0,0,0|0,0,2]=3 2725 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100000758997_100011215271 [0,1,0,0,0,0|0,0,2]=3 2726 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100012001163_100000757094 [0,1,0,0,0,0|0,0,2]=3 2727 B13R0.2 C=CCCCOCCNC(=O)OCC 34a_100000158857_100000757094 [0,1,0,0,0,0|1,0,2]=4 2728 B13R0.2 C=CCCCOCCNC(=O)OCC 7a_100000758997_200011445536 [0,1,0,0,0,0|1,0,2]=4 2729 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100009991533_100000757094 [0,1,0,0,0,0|0,0,2]=3 2730 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100011713584_100009991533 [0,1,0,0,0,0|0,0,2]=3 2731 B13R0.2 C=CCCCSCCNC(=O)OCC 62a_100011713584_200011445536 [0,1,0,0,0,0|1,0,2]=4 2732 B13R0.2 C=CCCNCCCCC(=O)OCC 2230a_100015191253_100000750268 [0,1,0,0,0,0|0,0,2]=3 2733 B13R0.2 C=CCCNCCOCC(=O)OCC 2230a_100015191253_100000088970 [0,1,0,0,0,0|1,0,2]=4 2734 B13R0.2 C=CCCOCCCCC(=O)OCC 34a_100011205117_100000750268 [0,1,0,0,0,0|0,0,2]=3 2735 B13R0.2 C=CCCOCCOCC(=O)OCC 34a_100011205117_100000088970 [0,1,0,0,0,0|1,0,2]=4 2736 B13R0.2 C=CCCOCCSCC(=O)OCC 7a_200000230590_100000754431 [0,1,0,0,0,0|1,0,2]=4 2737 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000750268_100000754431 [0,1,0,0,0,0|0,0,2]=3 2738 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000754431_100000750268 [0,1,0,0,0,0|0,0,2]=3 2739 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000088970_100000754431 [0,1,0,0,0,0|1,0,2]=4 2740 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000754431_100000088970 [0,1,0,0,0,0|1,0,2]=4 2741 B13R0.2 C=CCNCCCCCC(=O)OCC 2230a_100020586998_100000755133 [0,1,0,0,0,0|0,0,2]=3 2742 B13R0.2 C=CCNCCCOCC(=O)OCC 2230a_100020586998_100009893628 [0,1,0,0,0,0|1,0,2]=4 2743 B13R0.2 C=CCOCCCCCC(=O)OCC 34a_200000210373_100000755133 [0,1,0,0,0,0|0,0,2]=3 2744 B13R0.2 C=CCOCCCCCC(=O)OCC 7a_100011214988_100015514636 [0,1,0,0,0,0|0,0,2]=3 2745 B13R0.2 C=CCOCCCOCC(=O)OCC 34a_200000210373_100009893628 [0,1,0,0,0,0|1,0,2]=4 2746 B13R0.2 C=CCOCCOCCC(=O)OCC 34a_100000037705_100000765890 [0,1,0,0,0,0|1,0,2]=4 2747 B13R0.2 C=CCOCCOCCC(=O)OCC 7a_100000037705_100011206558 [0,1,0,0,0,0|1,0,2]=4 2748 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000210623_100000755133 [0,1,0,0,0,0|0,0,2]=3 2749 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000755133_100000210623 [0,1,0,0,0,0|0,0,2]=3 2750 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100000210623_100009893628 [0,1,0,0,0,0|1,0,2]=4 2751 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100009893628_100000210623 [0,1,0,0,0,0|1,0,2]=4 2752 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,1,0,0,0,0|0,0,2]=3 2753 B13R0.2 C=COC(=O)CNCCCCCCO 2230a_100000686447_100000036128 [0,1,0,0,0,0|1,0,2]=4 2754 B13R0.2 C=COC(=O)CNCCCCCCO 34a_100000686447_100000036128 [0,1,0,0,0,0|1,0,2]=4 2755 B13R0.2 C=COC(=O)CNCCCCCOC 2230a_100000747528_100000036128 [0,1,0,0,0,0|1,0,2]=4 2756 B13R0.2 C=COC(=O)CNCCCCCOC 34a_100000747528_100000036128 [0,1,0,0,0,0|1,0,2]=4 2757 B13R0.2 C=COC(=O)CNCCCOCCC 2230a_100011217757_100000036128 [0,1,0,0,0,0|1,0,2]=4 2758 B13R0.2 C=COC(=O)CNCCCOCCC 34a_100011217757_100000036128 [0,1,0,0,0,0|1,0,2]=4 2759 B13R0.2 C=COC(=O)CNCCSCCCC 2230a_100025743550_100000036128 [0,1,0,0,0,0|1,0,2]=4 2760 B13R0.2 C=COC(=O)COCCCCCCBr 34a_100011215345_100000036128 [0,1,0,0,0,0|1,0,2]=4 2761 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,1,0,0,0,0|0,0,2]=3 2762 B13R0.2 C=COC(=O)COCCCCCCCl 34a_100000766143_100000036128 [0,1,0,0,0,0|1,0,2]=4 2763 B13R0.2 C=COC(=O)COCCCCCCF 34a_100000732779_100000036128 [0,1,0,0,0,0|1,0,2]=4 2764 B13R0.2 C=COC(=O)COCCCCCCN 34a_100000686447_100000036128 [0,1,0,0,0,0|1,0,2]=4 2765 B13R0.2 C=COC(=O)COCCCCCNC 34a_100000722520_100000036128 [0,1,0,0,0,0|1,0,2]=4 2766 B13R0.2 C=COC(=O)COCCOCCCC 34a_100000210238_100000036128 [0,1,0,0,0,0|1,0,2]=4 2767 B13R0.2 C=COC(=O)COCCSCCCC 34a_200000230436_100000036128 [0,1,0,0,0,0|1,0,2]=4 2768 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,1,0,0,0,0|0,0,2]=3 2769 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,1,0,0,0,0|0,0,2]=3 2770 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100000036128_100015922095 [0,1,0,0,0,0|1,0,2]=4 2771 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100015922095_100000036128 [0,1,0,0,0,0|1,0,2]=4 2772 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000036128_100000766143 [0,1,0,0,0,0|1,0,2]=4 2773 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000766143_100000036128 [0,1,0,0,0,0|1,0,2]=4 2774 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000036128_100000743108 [0,1,0,0,0,0|1,0,2]=4 2775 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000743108_100000036128 [0,1,0,0,0,0|1,0,2]=4 2776 B13R0.2 C=COCCCCOCC(=O)OCC 34a_100000031558_100000188475 [0,1,0,0,0,0|1,0,2]=4 2777 B13R0.2 C=COCCCCOCC(=O)OCC 7a_100000031558_100000188475 [0,1,0,0,0,0|1,0,2]=4 2778 B13R0.2 C=COCCCNCCC(=O)OCC 2230a_100000210767_100011206558 [0,1,0,0,0,0|1,0,2]=4 2779 B13R0.2 C=COCCCNCCC(=O)OCC 34a_100000210767_100000765890 [0,1,0,0,0,0|1,0,2]=4 2780 B13R0.2 C=COCCOCCCC(=O)OCC 34a_100000033082_100009991533 [0,1,0,0,0,0|1,0,2]=4 2781 B13R0.2 C=COCCOCCCC(=O)OCC 7a_100012001163_100000039644 [0,1,0,0,0,0|1,0,2]=4 2782 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100000039644_100009991533 [0,1,0,0,0,0|1,0,2]=4 2783 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100009991533_100000039644 [0,1,0,0,0,0|1,0,2]=4 2784 B13R0.2 CC#CC(=O)CCCC#CCCCC 1458a_100000763181_200000047210 [0,1,0,0,0,0|1,0,2]=4 2785 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,1,0,0,0,0|1,0,1]=3 2786 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,1,0,0,0,0|1,0,1]=3 2787 B13R0.2 CC#CCCOCCCC(=O)OCC 34a_100000750427_100009991533 [0,1,0,0,0,0|0,0,2]=3 2788 B13R0.2 CC#CCNCCCCC(=O)OCC 2230a_100000685387_100000750268 [0,1,0,0,0,0|0,0,2]=3 2789 B13R0.2 CC#CCNCCCCC(=O)OCC 34a_100000685387_100000750268 [0,1,0,0,0,0|0,0,2]=3 2790 B13R0.2 CC#CCNCCOCC(=O)OCC 2230a_100000685387_100000088970 [0,1,0,0,0,0|1,0,2]=4 2791 B13R0.2 CC#CCNCCOCC(=O)OCC 34a_100000685387_100000088970 [0,1,0,0,0,0|1,0,2]=4 2792 B13R0.2 CC#CCOCCCCC(=O)OCC 34a_100000761923_100000750268 [0,1,0,0,0,0|0,0,2]=3 2793 B13R0.2 CC#CCOCCOCC(=O)OCC 34a_100000761923_100000088970 [0,1,0,0,0,0|1,0,2]=4 2794 B13R0.2 CC#CCOCCSCC(=O)OCC 7a_200000230590_100000748600 [0,1,0,0,0,0|1,0,2]=4 2795 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000748600_100000750268 [0,1,0,0,0,0|0,0,2]=3 2796 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000750268_100000748600 [0,1,0,0,0,0|0,0,2]=3 2797 B13R0.2 CC#CCSCCOCC(=O)OCC 62a_100000088970_100000748600 [0,1,0,0,0,0|1,0,2]=4 2798 B13R0.2 CC#CCSCCOCC(=O)OCC 62a_100000748600_100000088970 [0,1,0,0,0,0|1,0,2]=4 2799 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,1,0,0,0,0|1,0,2]=4 2800 B13R0.2 CC/C=C/CCCOCC(=O)NCC 34a_100016287902_100000183381 [0,1,0,0,0,0|1,0,2]=4 2801 B13R0.2 CC/C=C/CCCOCC(=O)NCC 7a_100016287902_100000183381 [0,1,0,0,0,0|1,0,2]=4 2802 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,1,0,0,0,0|0,0,2]=3 2803 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,1,0,0,0,0|0,0,2]=3 2804 B13R0.2 CC/C=C\CCNCCC(=O)NCC 34a_100025743525_100015370543 [0,1,0,0,0,0|1,0,2]=4 2805 B13R0.2 CC/C=C\CCOCCC(=O)NCC 7a_100016288707_100000737597 [0,1,0,0,0,0|1,0,2]=4 2806 B13R0.2 CC/C=C\CCOCCC(=O)OCC 34a_100016288707_100000765890 [0,1,0,0,0,0|0,0,2]=3 2807 B13R0.2 CC/C=C\CCOCCC(=O)OCC 7a_100016288707_100011206558 [0,1,0,0,0,0|0,0,2]=3 2808 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100000737597_100015370543 [0,1,0,0,0,0|1,0,2]=4 2809 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100015370543_100000737597 [0,1,0,0,0,0|1,0,2]=4 2810 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100000765890_100015370543 [0,1,0,0,0,0|0,0,2]=3 2811 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100015370543_100000765890 [0,1,0,0,0,0|0,0,2]=3 2812 B13R0.2 CC/C=C\CCSCOC(=O)OCC 62a_100015370543_100000075025 [0,1,0,0,0,0|1,0,2]=4 2813 B13R0.2 CC/C=C\COCCCC(=O)OCC 34a_100016268518_100009991533 [0,1,0,0,0,0|0,0,2]=3 2814 B13R0.2 CC/C=C\COCCCC(=O)OCC 7a_100012001163_100103147603 [0,1,0,0,0,0|0,0,2]=3 2815 B13R0.2 CC/C=C\COCCNC(=O)OCC 34a_100000158857_100103147603 [0,1,0,0,0,0|1,0,2]=4 2816 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100009991533_100103147603 [0,1,0,0,0,0|0,0,2]=3 2817 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100103147603_100009991533 [0,1,0,0,0,0|0,0,2]=3 2818 B13R0.2 CC/C=C\CSCCNC(=O)OCC 62a_100103147603_200011445536 [0,1,0,0,0,0|1,0,2]=4 2819 B13R0.2 CC=C=CCCOCCC(=O)OCC 34a_100011020354_100000765890 [0,1,0,0,0,0|0,0,3]=4 2820 B13R0.2 CC=CC(=O)CCCC#CCCCC 1458a_100000210699_200000047210 [0,1,0,0,0,0|1,0,2]=4 2821 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,1,0,0,0,0|1,0,1]=3 2822 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,1,0,0,0,0|1,0,1]=3 2823 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,1,0,0,0,0|1,0,1]=3 2824 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,1,0,0,0,0|1,0,1]=3 2825 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,1,0,0,0,0|1,0,1]=3 2826 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,1,0,0,0,0|2,0,1]=4 2827 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,1,0,0,0,0|2,0,1]=4 2828 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,1,0,0,0,0|2,0,1]=4 2829 B13R0.2 CC=CCCCOCCC(=O)OCC 34a_100020645299_100000765890 [0,1,0,0,0,0|0,0,2]=3 2830 B13R0.2 CC=CCOCCSCC(=O)OCC 7a_200000230590_100000070051 [0,1,0,0,0,0|1,0,2]=4 2831 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000070051_100000750268 [0,1,0,0,0,0|0,0,2]=3 2832 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000750268_100000070051 [0,1,0,0,0,0|0,0,2]=3 2833 B13R0.2 CC=CCSCCOCC(=O)OCC 62a_100000070051_100000088970 [0,1,0,0,0,0|1,0,2]=4 2834 B13R0.2 CC=CCSCCOCC(=O)OCC 62a_100000088970_100000070051 [0,1,0,0,0,0|1,0,2]=4 2835 B13R0.2 CCC#CCCOCCC(=O)NCC 7a_100000036655_100000737597 [0,1,0,0,0,0|1,0,2]=4 2836 B13R0.2 CCC#CCCOCCC(=O)OCC 34a_100000036655_100000765890 [0,1,0,0,0,0|0,0,2]=3 2837 B13R0.2 CCC#CCCOCCC(=O)OCC 7a_100000036655_100011206558 [0,1,0,0,0,0|0,0,2]=3 2838 B13R0.2 CCC#CCOCCCC(=O)OCC 34a_100000032950_100009991533 [0,1,0,0,0,0|0,0,2]=3 2839 B13R0.2 CCC#CCOCCCC(=O)OCC 7a_100012001163_100009813939 [0,1,0,0,0,0|0,0,2]=3 2840 B13R0.2 CCC#CCOCCNC(=O)OCC 34a_100000158857_100009813939 [0,1,0,0,0,0|1,0,2]=4 2841 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009813939_100009991533 [0,1,0,0,0,0|0,0,2]=3 2842 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009991533_100009813939 [0,1,0,0,0,0|0,0,2]=3 2843 B13R0.2 CCC#CCSCCNC(=O)OCC 62a_100009813939_200011445536 [0,1,0,0,0,0|1,0,2]=4 2844 B13R0.2 CCC/C=C/COCCC(=O)NCC 7a_100016278788_100000737597 [0,1,0,0,0,0|1,0,2]=4 2845 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [0,1,0,0,0,0|0,0,2]=3 2846 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [0,1,0,0,0,0|0,0,2]=3 2847 B13R0.2 CCCC#CCCOCC(=O)CCC 7a_100000042726_100000747444 [0,1,0,0,0,0|1,0,2]=4 2848 B13R0.2 CCCC#CCCOCC(=O)NCC 34a_100000042726_100000183381 [0,1,0,0,0,0|1,0,2]=4 2849 B13R0.2 CCCC#CCCOCC(=O)NCC 7a_100000042726_100000183381 [0,1,0,0,0,0|1,0,2]=4 2850 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,1,0,0,0,0|0,0,2]=3 2851 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,1,0,0,0,0|0,0,2]=3 2852 B13R0.2 CCCC#CCOCCC(=O)NCC 7a_100000034806_100000737597 [0,1,0,0,0,0|1,0,2]=4 2853 B13R0.2 CCCC#CCOCCC(=O)OCC 34a_100000034806_100000765890 [0,1,0,0,0,0|0,0,2]=3 2854 B13R0.2 CCCC#CCOCCC(=O)OCC 7a_100000034806_100011206558 [0,1,0,0,0,0|0,0,2]=3 2855 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,1,0,0,0,0|1,0,0]=2 2856 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100000211992_100000032323 [0,1,0,0,0,0|3,0,0]=4 2857 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100009915118_100000210303 [0,1,0,0,0,0|3,0,0]=4 2858 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,1,0,0,0,0|2,0,0]=3 2859 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,1,0,0,0,0|2,0,0]=3 2860 B13R0.2 CCCC(=O)CNCCOCCOC 2230a_100000745349_100000747444 [0,1,0,0,0,0|3,0,0]=4 2861 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,1,0,0,0,0|2,0,0]=3 2862 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,1,0,0,0,0|2,0,0]=3 2863 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,1,0,0,0,0|2,0,0]=3 2864 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,1,0,0,0,0|3,0,0]=4 2865 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,1,0,0,0,0|3,0,0]=4 2866 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100000747444_100009813376 [0,1,0,0,0,0|2,0,1]=4 2867 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100009813376_100000747444 [0,1,0,0,0,0|2,0,1]=4 2868 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,1,0,0,0,0|2,0,1]=4 2869 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,1,0,0,0,0|2,0,1]=4 2870 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,1,0,0,0,0|2,0,0]=3 2871 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,1,0,0,0,0|2,0,0]=3 2872 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,1,0,0,0,0|2,0,0]=3 2873 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,1,0,0,0,0|2,0,0]=3 2874 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000695917_100000747444 [0,1,0,0,0,0|3,0,0]=4 2875 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000747444_100000695917 [0,1,0,0,0,0|3,0,0]=4 2876 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,1,0,0,0,0|2,0,0]=3 2877 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,1,0,0,0,0|3,0,0]=4 2878 B13R0.2 CCCC(=O)NCCCOCCOC 1626a_100000206027_100000211992 [0,1,0,0,0,0|3,0,0]=4 2879 B13R0.2 CCCC(=O)NCCCOCCOC 240690a_100000206027_100000211992 [0,1,0,0,0,0|3,0,0]=4 2880 B13R0.2 CCCC(=O)NCCOCCOCC 11a_100102712874_100000211992 [0,1,0,0,0,0|3,0,0]=4 2881 B13R0.2 CCCC(=O)NCCOCCOCC 1626a_100102712874_100000211992 [0,1,0,0,0,0|3,0,0]=4 2882 B13R0.2 CCCC(=O)NCCOCCOCC 240690a_100102712874_100000211992 [0,1,0,0,0,0|3,0,0]=4 2883 B13R0.2 CCCC(=O)NCCOCCOCC 527a_100102712874_100000211992 [0,1,0,0,0,0|3,0,0]=4 2884 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,1,0,0,0,0|3,0,0]=4 2885 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,1,0,0,0,0|3,0,0]=4 2886 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,1,0,0,0,0|3,0,0]=4 2887 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,1,0,0,0,0|3,0,0]=4 2888 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,1,0,0,0,0|3,0,0]=4 2889 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,1,0,0,0,0|3,0,0]=4 2890 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,1,0,0,0,0|3,0,0]=4 2891 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,1,0,0,0,0|3,0,0]=4 2892 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,1,0,0,0,0|3,0,0]=4 2893 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,1,0,0,0,0|3,0,0]=4 2894 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,1,0,0,0,0|3,0,0]=4 2895 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,1,0,0,0,0|3,0,0]=4 2896 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,1,0,0,0,0|3,0,0]=4 2897 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,1,0,0,0,0|3,0,0]=4 2898 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,1,0,0,0,0|3,0,0]=4 2899 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,1,0,0,0,0|3,0,0]=4 2900 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,1,0,0,0,0|1,0,2]=4 2901 B13R0.2 CCCC/C=C/COCC(=O)NCC 34a_200016272032_100000183381 [0,1,0,0,0,0|1,0,2]=4 2902 B13R0.2 CCCC/C=C/COCC(=O)NCC 7a_200016272032_100000183381 [0,1,0,0,0,0|1,0,2]=4 2903 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,1,0,0,0,0|0,0,2]=3 2904 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,1,0,0,0,0|0,0,2]=3 2905 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,1,0,0,0,0|1,0,1]=3 2906 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,1,0,0,0,0|2,0,1]=4 2907 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,1,0,0,0,0|2,0,1]=4 2908 B13R0.2 CCCCC#CCCCC(=O)CSC 1458a_100000184570_200000047210 [0,1,0,0,0,0|2,0,1]=4 2909 B13R0.2 CCCCC#CCOCC(=O)CCC 7a_200000034558_100000747444 [0,1,0,0,0,0|1,0,2]=4 2910 B13R0.2 CCCCC#CCOCC(=O)NCC 34a_200000034558_100000183381 [0,1,0,0,0,0|1,0,2]=4 2911 B13R0.2 CCCCC#CCOCC(=O)NCC 7a_200000034558_100000183381 [0,1,0,0,0,0|1,0,2]=4 2912 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,1,0,0,0,0|0,0,2]=3 2913 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,1,0,0,0,0|0,0,2]=3 2914 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,1,0,0,0,0|1,0,1]=3 2915 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,1,0,0,0,0|2,0,1]=4 2916 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,1,0,0,0,0|2,0,1]=4 2917 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,1,0,0,0,0|1,0,1]=3 2918 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,1,0,0,0,0|1,0,1]=3 2919 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,1,0,0,0,0|1,0,1]=3 2920 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,1,0,0,0,0|2,0,1]=4 2921 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,1,0,0,0,0|1,0,1]=3 2922 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,1,0,0,0,0|2,0,1]=4 2923 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,1,0,0,0,0|2,0,1]=4 2924 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,1,0,0,0,0|1,0,1]=3 2925 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,1,0,0,0,0|1,0,1]=3 2926 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,1,0,0,0,0|2,0,1]=4 2927 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,1,0,0,0,0|2,0,1]=4 2928 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,1,0,0,0,0|1,0,1]=3 2929 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,1,0,0,0,0|2,0,1]=4 2930 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,1,0,0,0,0|2,0,1]=4 2931 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,1,0,0,0,0|1,0,1]=3 2932 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,1,0,0,0,0|1,0,1]=3 2933 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,1,0,0,0,0|2,0,1]=4 2934 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,1,0,0,0,0|2,0,1]=4 2935 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,1,0,0,0,0|2,0,1]=4 2936 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,1,0,0,0,0|2,0,1]=4 2937 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,1,0,0,0,0|2,0,1]=4 2938 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,1,0,0,0,0|2,0,1]=4 2939 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,1,0,0,0,0|1,0,0]=2 2940 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,1,0,0,0,0|1,0,0]=2 2941 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,1,0,0,0,0|2,0,0]=3 2942 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,1,0,0,0,0|2,0,0]=3 2943 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,1,0,0,0,0|2,0,0]=3 2944 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,1,0,0,0,0|2,0,0]=3 2945 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,1,0,0,0,0|2,0,0]=3 2946 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,1,0,0,0,0|1,0,0]=2 2947 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,1,0,0,0,0|1,0,0]=2 2948 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,1,0,0,0,0|1,0,0]=2 2949 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,1,0,0,0,0|2,0,0]=3 2950 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,1,0,0,0,0|2,0,1]=4 2951 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,1,0,0,0,0|1,0,1]=3 2952 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,1,0,0,0,0|1,0,1]=3 2953 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,1,0,0,0,0|2,0,1]=4 2954 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,1,0,0,0,0|2,0,1]=4 2955 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,1,0,0,0,0|3,0,0]=4 2956 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,1,0,0,0,0|3,0,0]=4 2957 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,1,0,0,0,0|3,0,0]=4 2958 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,1,0,0,0,0|3,0,0]=4 2959 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,1,0,0,0,0|2,0,1]=4 2960 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,1,0,0,0,0|2,0,1]=4 2961 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,1,0,0,0,0|2,0,1]=4 2962 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,1,0,0,0,0|2,0,1]=4 2963 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,1,0,0,0,0|2,0,1]=4 2964 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,1,0,0,0,0|2,0,1]=4 2965 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,1,0,0,0,0|2,0,1]=4 2966 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,1,0,0,0,0|2,0,1]=4 2967 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,1,0,0,0,0|1,0,0]=2 2968 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,1,0,0,0,0|1,0,0]=2 2969 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,1,0,0,0,0|1,0,0]=2 2970 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,1,0,0,0,0|1,0,0]=2 2971 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,1,0,0,0,0|2,0,0]=3 2972 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,1,0,0,0,0|2,0,0]=3 2973 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,1,0,0,0,0|2,0,0]=3 2974 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,1,0,0,0,0|2,0,0]=3 2975 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,1,0,0,0,0|2,0,0]=3 2976 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,1,0,0,0,0|2,0,0]=3 2977 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,1,0,0,0,0|2,0,0]=3 2978 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,1,0,0,0,0|2,0,0]=3 2979 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,1,0,0,0,0|2,0,0]=3 2980 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,1,0,0,0,0|1,0,0]=2 2981 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,1,0,0,0,0|1,0,0]=2 2982 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,1,0,0,0,0|1,0,0]=2 2983 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,1,0,0,0,0|1,0,0]=2 2984 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,1,0,0,0,0|1,0,0]=2 2985 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,1,0,0,0,0|1,0,0]=2 2986 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,1,0,0,0,0|2,0,0]=3 2987 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,1,0,0,0,0|2,0,0]=3 2988 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,1,0,0,0,0|2,0,0]=3 2989 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,1,0,0,0,0|2,0,1]=4 2990 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,1,0,0,0,0|2,0,1]=4 2991 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,1,0,0,0,0|2,0,1]=4 2992 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,1,0,0,0,0|2,0,1]=4 2993 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,1,0,0,0,0|2,0,1]=4 2994 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,1,0,0,0,0|2,0,1]=4 2995 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,1,0,0,0,0|2,0,1]=4 2996 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,1,0,0,0,0|2,0,1]=4 2997 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [0,1,0,0,0,0|2,0,1]=4 2998 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [0,1,0,0,0,0|2,0,1]=4 2999 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,1,0,0,0,0|1,0,0]=2 3000 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,1,0,0,0,0|1,0,0]=2 3001 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,1,0,0,0,0|1,0,0]=2 3002 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,1,0,0,0,0|2,0,0]=3 3003 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,1,0,0,0,0|0,0,0]=1 3004 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [0,1,0,0,0,0|2,0,1]=4 3005 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [0,1,0,0,0,0|2,0,1]=4 3006 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,1,0,0,0,0|1,0,0]=2 3007 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,1,0,0,0,0|1,0,0]=2 3008 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,1,0,0,0,0|1,0,0]=2 3009 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,1,0,0,0,0|2,0,0]=3 3010 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,1,0,0,0,0|2,0,0]=3 3011 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,1,0,0,0,0|0,0,0]=1 3012 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,1,0,0,0,0|0,0,0]=1 3013 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,1,0,0,0,0|2,0,1]=4 3014 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,1,0,0,0,0|2,0,1]=4 3015 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,1,0,0,0,0|2,0,1]=4 3016 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,1,0,0,0,0|2,0,1]=4 3017 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,1,0,0,0,0|2,0,1]=4 3018 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,1,0,0,0,0|1,0,0]=2 3019 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,1,0,0,0,0|1,0,0]=2 3020 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,1,0,0,0,0|1,0,0]=2 3021 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,1,0,0,0,0|1,0,0]=2 3022 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,1,0,0,0,0|2,0,0]=3 3023 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,1,0,0,0,0|2,0,0]=3 3024 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,1,0,0,0,0|0,0,0]=1 3025 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,1,0,0,0,0|0,0,0]=1 3026 B13R0.2 CCCCCCCSCC(C)CCC 62a_100000210614_100011216630 [0,1,0,0,0,0|2,0,1]=4 3027 B13R0.2 CCCCCCCSCC(C)CCC 62a_100011216630_100000210316 [0,1,0,0,0,0|2,0,1]=4 3028 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,1,0,0,0,0|1,0,0]=2 3029 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,1,0,0,0,0|1,0,0]=2 3030 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,1,0,0,0,0|0,0,0]=1 3031 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,1,0,0,0,0|2,0,0]=3 3032 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,1,0,0,0,0|1,0,0]=2 3033 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,1,0,0,0,0|0,0,0]=1 3034 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,1,0,0,0,0|0,0,0]=1 3035 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [0,1,0,0,0,0|2,0,1]=4 3036 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [0,1,0,0,0,0|2,0,1]=4 3037 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [0,1,0,0,0,0|2,0,1]=4 3038 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,1,0,0,0,0|2,0,0]=3 3039 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,1,0,0,0,0|1,0,0]=2 3040 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,1,0,0,0,0|1,0,0]=2 3041 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,1,0,0,0,0|0,0,0]=1 3042 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,1,0,0,0,0|0,0,0]=1 3043 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,1,0,0,0,0|2,0,0]=3 3044 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,1,0,0,0,0|1,0,0]=2 3045 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,1,0,0,0,0|0,0,2]=3 3046 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,1,0,0,0,0|0,0,0]=1 3047 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,1,0,0,0,0|1,0,2]=4 3048 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,1,0,0,0,0|0,0,2]=3 3049 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,1,0,0,0,0|0,0,2]=3 3050 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,1,0,0,0,0|0,0,0]=1 3051 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,1,0,0,0,0|0,0,0]=1 3052 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,1,0,0,0,0|0,0,0]=1 3053 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [0,1,0,0,0,0|2,0,1]=4 3054 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [0,1,0,0,0,0|2,0,1]=4 3055 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,1,0,0,0,0|1,0,0]=2 3056 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,1,0,0,0,0|1,0,0]=2 3057 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,1,0,0,0,0|0,0,2]=3 3058 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,1,0,0,0,0|0,0,2]=3 3059 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,1,0,0,0,0|0,0,0]=1 3060 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,1,0,0,0,0|0,0,0]=1 3061 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,1,0,0,0,0|1,0,0]=2 3062 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,1,0,0,0,0|0,0,0]=1 3063 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,1,0,0,0,0|0,0,0]=1 3064 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,1,0,0,0,0|1,0,0]=2 3065 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,1,0,0,0,0|1,0,0]=2 3066 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,1,0,0,0,0|0,0,0]=1 3067 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,1,0,0,0,0|0,0,0]=1 3068 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,1,0,0,0,0|2,0,0]=3 3069 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,1,0,0,0,0|2,0,0]=3 3070 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,1,0,0,0,0|2,0,0]=3 3071 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,1,0,0,0,0|3,0,0]=4 3072 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,1,0,0,0,0|3,0,0]=4 3073 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,1,0,0,0,0|3,0,0]=4 3074 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,1,0,0,0,0|3,0,0]=4 3075 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,1,0,0,0,0|3,0,0]=4 3076 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,1,0,0,0,0|3,0,0]=4 3077 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,1,0,0,0,0|3,0,0]=4 3078 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,1,0,0,0,0|2,0,0]=3 3079 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,1,0,0,0,0|2,0,0]=3 3080 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,1,0,0,0,0|2,0,0]=3 3081 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,1,0,0,0,0|2,0,0]=3 3082 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,1,0,0,0,0|2,0,0]=3 3083 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,1,0,0,0,0|2,0,0]=3 3084 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,1,0,0,0,0|3,0,0]=4 3085 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,1,0,0,0,0|3,0,0]=4 3086 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,1,0,0,0,0|3,0,0]=4 3087 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,1,0,0,0,0|2,0,0]=3 3088 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,1,0,0,0,0|2,0,0]=3 3089 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,1,0,0,0,0|2,0,0]=3 3090 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,1,0,0,0,0|3,0,0]=4 3091 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,1,0,0,0,0|3,0,0]=4 3092 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,1,0,0,0,0|2,0,0]=3 3093 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,1,0,0,0,0|2,0,0]=3 3094 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,1,0,0,0,0|2,0,0]=3 3095 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,1,0,0,0,0|2,0,0]=3 3096 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,1,0,0,0,0|2,0,0]=3 3097 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,1,0,0,0,0|3,0,0]=4 3098 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,1,0,0,0,0|3,0,0]=4 3099 B13R0.2 CCCCOCCOCC(=O)NNC 22a_100016993582_100011216887 [0,1,0,0,0,0|3,0,0]=4 3100 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,1,0,0,0,0|1,0,0]=2 3101 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,1,0,0,0,0|1,0,0]=2 3102 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,1,0,0,0,0|1,0,0]=2 3103 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,1,0,0,0,0|1,0,0]=2 3104 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,1,0,0,0,0|2,0,0]=3 3105 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,1,0,0,0,0|2,0,0]=3 3106 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,1,0,0,0,0|2,0,0]=3 3107 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,1,0,0,0,0|2,0,0]=3 3108 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,1,0,0,0,0|3,0,0]=4 3109 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,1,0,0,0,0|3,0,0]=4 3110 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,1,0,0,0,0|1,0,0]=2 3111 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,1,0,0,0,0|1,0,0]=2 3112 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,1,0,0,0,0|1,0,0]=2 3113 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,1,0,0,0,0|2,0,0]=3 3114 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,1,0,0,0,0|2,0,0]=3 3115 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,1,0,0,0,0|2,0,0]=3 3116 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,1,0,0,0,0|1,0,0]=2 3117 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,1,0,0,0,0|1,0,0]=2 3118 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,1,0,0,0,0|3,0,0]=4 3119 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,1,0,0,0,0|2,0,0]=3 3120 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,1,0,0,0,0|2,0,1]=4 3121 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,1,0,0,0,0|0,0,0]=1 3122 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,1,0,0,0,0|0,0,0]=1 3123 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,1,0,0,0,0|2,0,0]=3 3124 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,1,0,0,0,0|2,0,0]=3 3125 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,1,0,0,0,0|3,0,0]=4 3126 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,1,0,0,0,0|1,0,0]=2 3127 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,1,0,0,0,0|2,0,0]=3 3128 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,1,0,0,0,0|2,0,0]=3 3129 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,1,0,0,0,0|2,0,0]=3 3130 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,1,0,0,0,0|3,0,0]=4 3131 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,1,0,0,0,0|3,0,0]=4 3132 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,1,0,0,0,0|1,0,0]=2 3133 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,1,0,0,0,0|1,0,0]=2 3134 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,1,0,0,0,0|1,0,0]=2 3135 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,1,0,0,0,0|1,0,0]=2 3136 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,1,0,0,0,0|3,0,0]=4 3137 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,1,0,0,0,0|3,0,0]=4 3138 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,1,0,0,0,0|0,0,0]=1 3139 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,1,0,0,0,0|0,0,0]=1 3140 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,1,0,0,0,0|2,0,0]=3 3141 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,1,0,0,0,0|2,0,0]=3 3142 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,1,0,0,0,0|2,0,0]=3 3143 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,1,0,0,0,0|3,0,0]=4 3144 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,1,0,0,0,0|3,0,0]=4 3145 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,1,0,0,0,0|1,0,0]=2 3146 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,1,0,0,0,0|1,0,0]=2 3147 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,1,0,0,0,0|1,0,0]=2 3148 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,1,0,0,0,0|2,0,0]=3 3149 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,1,0,0,0,0|2,0,0]=3 3150 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,1,0,0,0,0|1,0,0]=2 3151 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,1,0,0,0,0|1,0,0]=2 3152 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,1,0,0,0,0|3,0,0]=4 3153 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,1,0,0,0,0|3,0,0]=4 3154 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,1,0,0,0,0|2,0,0]=3 3155 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,1,0,0,0,0|1,0,0]=2 3156 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,1,0,0,0,0|1,0,0]=2 3157 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,1,0,0,0,0|3,0,0]=4 3158 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,1,0,0,0,0|2,0,0]=3 3159 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,1,0,0,0,0|2,0,0]=3 3160 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,1,0,0,0,0|1,0,0]=2 3161 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,1,0,0,0,0|1,0,0]=2 3162 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,1,0,0,0,0|3,0,0]=4 3163 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,1,0,0,0,0|2,0,0]=3 3164 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,1,0,0,0,0|0,0,0]=1 3165 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,1,0,0,0,0|0,0,0]=1 3166 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,1,0,0,0,0|1,0,0]=2 3167 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,1,0,0,0,0|1,0,0]=2 3168 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,1,0,0,0,0|2,0,0]=3 3169 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,1,0,0,0,0|1,0,0]=2 3170 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,1,0,0,0,0|3,0,0]=4 3171 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,1,0,0,0,0|2,0,0]=3 3172 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,1,0,0,0,0|1,0,0]=2 3173 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,1,0,0,0,0|1,0,0]=2 3174 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,1,0,0,0,0|3,0,0]=4 3175 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,1,0,0,0,0|1,0,0]=2 3176 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,1,0,0,0,0|2,0,0]=3 3177 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,1,0,0,0,0|2,0,0]=3 3178 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,1,0,0,0,0|2,0,0]=3 3179 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,1,0,0,0,0|2,0,0]=3 3180 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,1,0,0,0,0|2,0,0]=3 3181 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,1,0,0,0,0|2,0,0]=3 3182 B13R0.2 CCNC(=O)CCNCCOCCO 2230a_100000211614_100000737597 [0,1,0,0,0,0|3,0,0]=4 3183 B13R0.2 CCNC(=O)CCNCCOCCO 34a_100025743525_100000692535 [0,1,0,0,0,0|3,0,0]=4 3184 B13R0.2 CCNC(=O)CCNCCSCCO 2230a_100011219999_100000737597 [0,1,0,0,0,0|3,0,0]=4 3185 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,1,0,0,0,0|2,0,0]=3 3186 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,1,0,0,0,0|2,0,0]=3 3187 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,1,0,0,0,0|2,0,0]=3 3188 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,1,0,0,0,0|2,0,0]=3 3189 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,1,0,0,0,0|2,0,0]=3 3190 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,1,0,0,0,0|2,0,0]=3 3191 B13R0.2 CCNC(=O)CCOCCOCCBr 7a_100000692535_100000737597 [0,1,0,0,0,0|3,0,0]=4 3192 B13R0.2 CCNC(=O)CCOCCOCCCl 7a_100011215305_100000737597 [0,1,0,0,0,0|3,0,0]=4 3193 B13R0.2 CCNC(=O)CCOCCOCCF 7a_200015357709_100000737597 [0,1,0,0,0,0|3,0,0]=4 3194 B13R0.2 CCNC(=O)CCOCCOCCI 7a_100012149058_100000737597 [0,1,0,0,0,0|3,0,0]=4 3195 B13R0.2 CCNC(=O)CCOCCOCCO 240690a_100015525214_100009915118 [0,1,0,0,0,0|3,0,0]=4 3196 B13R0.2 CCNC(=O)CCSCCCCC#N 62a_100000737597_100000211819 [0,1,0,0,0,0|2,0,1]=4 3197 B13R0.2 CCNC(=O)CCSCCCCC#N 62a_100011219923_100000737597 [0,1,0,0,0,0|2,0,1]=4 3198 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000139335_100000737597 [0,1,0,0,0,0|2,0,1]=4 3199 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000737597_100000139335 [0,1,0,0,0,0|2,0,1]=4 3200 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,1,0,0,0,0|2,0,0]=3 3201 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,1,0,0,0,0|2,0,0]=3 3202 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,1,0,0,0,0|2,0,0]=3 3203 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,1,0,0,0,0|2,0,0]=3 3204 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,1,0,0,0,0|2,0,0]=3 3205 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,1,0,0,0,0|2,0,0]=3 3206 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,1,0,0,0,0|2,0,0]=3 3207 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,1,0,0,0,0|2,0,0]=3 3208 B13R0.2 CCNC(=O)CCSCCOCCO 62a_100000737597_100011215305 [0,1,0,0,0,0|3,0,0]=4 3209 B13R0.2 CCNC(=O)CCSCCOCCO 62a_100011215305_100000737597 [0,1,0,0,0,0|3,0,0]=4 3210 B13R0.2 CCNC(=O)CCSCOCCOC 62a_100000231047_100000737597 [0,1,0,0,0,0|3,0,0]=4 3211 B13R0.2 CCNC(=O)CCSCOCCOC 62a_100000737597_100000231047 [0,1,0,0,0,0|3,0,0]=4 3212 B13R0.2 CCNC(=O)CNCCCCCC#N 2230a_100016988866_100009813376 [0,1,0,0,0,0|2,0,1]=4 3213 B13R0.2 CCNC(=O)CNCCCCCC=O 2230a_100016988866_100000139337 [0,1,0,0,0,0|2,0,1]=4 3214 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,1,0,0,0,0|2,0,0]=3 3215 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,1,0,0,0,0|2,0,0]=3 3216 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,1,0,0,0,0|2,0,0]=3 3217 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,1,0,0,0,0|2,0,0]=3 3218 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,1,0,0,0,0|2,0,0]=3 3219 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,1,0,0,0,0|2,0,0]=3 3220 B13R0.2 CCNC(=O)CNCCOCCOC 2230a_100000745349_100000183381 [0,1,0,0,0,0|3,0,0]=4 3221 B13R0.2 CCNC(=O)CNCCOCCOC 2230a_100016988866_100000695917 [0,1,0,0,0,0|3,0,0]=4 3222 B13R0.2 CCNC(=O)CNCCOCCOC 34a_100000745349_100000183381 [0,1,0,0,0,0|3,0,0]=4 3223 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,1,0,0,0,0|2,0,0]=3 3224 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,1,0,0,0,0|2,0,0]=3 3225 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,1,0,0,0,0|2,0,0]=3 3226 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,1,0,0,0,0|2,0,0]=3 3227 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,1,0,0,0,0|2,0,0]=3 3228 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,1,0,0,0,0|2,0,0]=3 3229 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,1,0,0,0,0|2,0,0]=3 3230 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,1,0,0,0,0|2,0,0]=3 3231 B13R0.2 CCNC(=O)COCCOCCNC 34a_100000228057_100000183381 [0,1,0,0,0,0|3,0,0]=4 3232 B13R0.2 CCNC(=O)COCCOCCOC 11a_100015525214_100011214951 [0,1,0,0,0,0|3,0,0]=4 3233 B13R0.2 CCNC(=O)COCCOCCOC 240690a_100015525214_100011214951 [0,1,0,0,0,0|3,0,0]=4 3234 B13R0.2 CCNC(=O)COCCOCCOC 34a_100011215163_100000183381 [0,1,0,0,0,0|3,0,0]=4 3235 B13R0.2 CCNC(=O)COCCOCCOC 527a_100015525214_100011214951 [0,1,0,0,0,0|3,0,0]=4 3236 B13R0.2 CCNC(=O)COCCOCCOC 7a_100011215163_100000183381 [0,1,0,0,0,0|3,0,0]=4 3237 B13R0.2 CCNC(=O)CSCCCCCC#N 62a_100000183381_100009813376 [0,1,0,0,0,0|2,0,1]=4 3238 B13R0.2 CCNC(=O)CSCCCCCC#N 62a_100009813376_100000183381 [0,1,0,0,0,0|2,0,1]=4 3239 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000139337_100000183381 [0,1,0,0,0,0|2,0,1]=4 3240 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000183381_100000139337 [0,1,0,0,0,0|2,0,1]=4 3241 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,1,0,0,0,0|2,0,0]=3 3242 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,1,0,0,0,0|2,0,0]=3 3243 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,1,0,0,0,0|2,0,0]=3 3244 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,1,0,0,0,0|2,0,0]=3 3245 B13R0.2 CCNC(=O)CSCCOCCOC 62a_100000183381_100000695917 [0,1,0,0,0,0|3,0,0]=4 3246 B13R0.2 CCNC(=O)CSCCOCCOC 62a_100000695917_100000183381 [0,1,0,0,0,0|3,0,0]=4 3247 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,1,0,0,0,0|2,0,0]=3 3248 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,1,0,0,0,0|2,0,0]=3 3249 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,1,0,0,0,0|2,0,0]=3 3250 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,1,0,0,0,0|2,0,0]=3 3251 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,1,0,0,0,0|2,0,0]=3 3252 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,1,0,0,0,0|2,0,0]=3 3253 B13R0.2 CCNC(=O)NCCCOCCCO 2708a_100015525214_100011310245 [0,1,0,0,0,0|3,0,0]=4 3254 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100011310245_100015525214 [0,1,0,0,0,0|3,0,0]=4 3255 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100015525214_100011310245 [0,1,0,0,0,0|3,0,0]=4 3256 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100000206027_100015525214 [0,1,0,0,0,0|3,0,0]=4 3257 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100015525214_100000206027 [0,1,0,0,0,0|3,0,0]=4 3258 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100000206027_100015525214 [0,1,0,0,0,0|3,0,0]=4 3259 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100015525214_100000206027 [0,1,0,0,0,0|3,0,0]=4 3260 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100015525214_100102712874 [0,1,0,0,0,0|3,0,0]=4 3261 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100102712874_100015525214 [0,1,0,0,0,0|3,0,0]=4 3262 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100015525214_100102712874 [0,1,0,0,0,0|3,0,0]=4 3263 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100102712874_100015525214 [0,1,0,0,0,0|3,0,0]=4 3264 B13R0.2 CCNC(=O)NCCOCCOCC 512a_100102712874_100015525214 [0,1,0,0,0,0|3,0,0]=4 3265 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,1,0,0,0,0|0,0,0]=1 3266 B13R0.2 CCNN=CCCCCC(=O)OCC 4a_100000756455_100012182868 [0,1,0,0,0,0|1,0,1]=3 3267 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,1,0,0,0,0|1,0,2]=4 3268 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,1,0,0,0,0|1,0,2]=4 3269 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,1,0,0,0,0|1,0,2]=4 3270 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,1,0,0,0,0|1,0,2]=4 3271 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,1,0,0,0,0|1,0,2]=4 3272 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,1,0,0,0,0|1,0,2]=4 3273 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,1,0,0,0,0|1,0,2]=4 3274 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,1,0,0,0,0|1,0,2]=4 3275 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,1,0,0,0,0|1,0,2]=4 3276 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,1,0,0,0,0|1,0,2]=4 3277 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,1,0,0,0,0|1,0,2]=4 3278 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,1,0,0,0,0|1,0,2]=4 3279 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,1,0,0,0,0|1,0,2]=4 3280 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,1,0,0,0,0|1,0,2]=4 3281 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,1,0,0,0,0|1,0,2]=4 3282 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,1,0,0,0,0|1,0,2]=4 3283 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,1,0,0,0,0|1,0,2]=4 3284 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,1,0,0,0,0|1,0,2]=4 3285 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,1,0,0,0,0|1,0,2]=4 3286 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,1,0,0,0,0|1,0,2]=4 3287 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,1,0,0,0,0|1,0,2]=4 3288 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,1,0,0,0,0|1,0,2]=4 3289 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,1,0,0,0,0|1,0,2]=4 3290 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,1,0,0,0,0|1,0,2]=4 3291 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,1,0,0,0,0|1,0,2]=4 3292 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,1,0,0,0,0|1,0,2]=4 3293 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,1,0,0,0,0|0,0,0]=1 3294 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,1,0,0,0,0|0,0,0]=1 3295 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,1,0,0,0,0|0,0,0]=1 3296 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,1,0,0,0,0|0,0,0]=1 3297 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,1,0,0,0,0|0,0,0]=1 3298 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,1,0,0,0,0|0,0,0]=1 3299 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,1,0,0,0,0|0,0,0]=1 3300 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,1,0,0,0,0|1,0,0]=2 3301 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,1,0,0,0,0|1,0,0]=2 3302 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,1,0,0,0,0|1,0,0]=2 3303 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,1,0,0,0,0|1,0,0]=2 3304 B13R0.2 CCOC(=O)CCCCCOCC#N 7a_100011214988_100011215382 [0,1,0,0,0,0|1,0,1]=3 3305 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,1,0,0,0,0|1,0,1]=3 3306 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,1,0,0,0,0|1,0,0]=2 3307 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,1,0,0,0,0|1,0,0]=2 3308 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,1,0,0,0,0|1,0,0]=2 3309 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,1,0,0,0,0|1,0,0]=2 3310 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100000755133_100011215382 [0,1,0,0,0,0|1,0,1]=3 3311 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100011215382_100000755133 [0,1,0,0,0,0|1,0,1]=3 3312 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,1,0,0,0,0|1,0,1]=3 3313 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,1,0,0,0,0|1,0,1]=3 3314 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,1,0,0,0,0|1,0,0]=2 3315 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,1,0,0,0,0|1,0,0]=2 3316 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,1,0,0,0,0|1,0,0]=2 3317 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,1,0,0,0,0|1,0,0]=2 3318 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,1,0,0,0,0|1,0,0]=2 3319 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,1,0,0,0,0|1,0,0]=2 3320 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,1,0,0,0,0|1,0,0]=2 3321 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,1,0,0,0,0|1,0,0]=2 3322 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,1,0,0,0,0|1,0,0]=2 3323 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,1,0,0,0,0|1,0,0]=2 3324 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,1,0,0,0,0|1,0,0]=2 3325 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,1,0,0,0,0|1,0,0]=2 3326 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,1,0,0,0,0|1,0,0]=2 3327 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,1,0,0,0,0|1,0,0]=2 3328 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,1,0,0,0,0|1,0,0]=2 3329 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,1,0,0,0,0|1,0,0]=2 3330 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,1,0,0,0,0|1,0,0]=2 3331 B13R0.2 CCOC(=O)CCCCOCCON 34a_100000700252_100000750268 [0,1,0,0,0,0|2,0,0]=3 3332 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,1,0,0,0,0|1,0,0]=2 3333 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,1,0,0,0,0|1,0,0]=2 3334 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100000750268_100011215226 [0,1,0,0,0,0|1,0,1]=3 3335 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100011215226_100000750268 [0,1,0,0,0,0|1,0,1]=3 3336 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,1,0,0,0,0|1,0,0]=2 3337 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,1,0,0,0,0|1,0,0]=2 3338 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,1,0,0,0,0|1,0,0]=2 3339 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,1,0,0,0,0|1,0,0]=2 3340 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,1,0,0,0,0|1,0,0]=2 3341 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,1,0,0,0,0|1,0,0]=2 3342 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,1,0,0,0,0|1,0,0]=2 3343 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,1,0,0,0,0|1,0,0]=2 3344 B13R0.2 CCOC(=O)CCCCSCSC#N 62a_100000211825_100000750268 [0,1,0,0,0,0|2,0,1]=4 3345 B13R0.2 CCOC(=O)CCCCSCSC#N 62a_100000750268_100000211825 [0,1,0,0,0,0|2,0,1]=4 3346 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,1,0,0,0,0|1,0,0]=2 3347 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,1,0,0,0,0|1,0,0]=2 3348 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,1,0,0,0,0|1,0,0]=2 3349 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,1,0,0,0,0|1,0,0]=2 3350 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,1,0,0,0,0|1,0,0]=2 3351 B13R0.2 CCOC(=O)CCCOCC#CCCl 34a_200000047223_100009991533 [0,1,0,0,0,0|1,0,2]=4 3352 B13R0.2 CCOC(=O)CCCOCC#CCO 7a_100012001163_200000047223 [0,1,0,0,0,0|1,0,2]=4 3353 B13R0.2 CCOC(=O)CCCOCCCC#N 7a_100012001163_100000687738 [0,1,0,0,0,0|1,0,1]=3 3354 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,1,0,0,0,0|1,0,1]=3 3355 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,1,0,0,0,0|1,0,0]=2 3356 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,1,0,0,0,0|1,0,0]=2 3357 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,1,0,0,0,0|1,0,0]=2 3358 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,1,0,0,0,0|1,0,0]=2 3359 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,1,0,0,0,0|1,0,0]=2 3360 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,1,0,0,0,0|1,0,0]=2 3361 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,1,0,0,0,0|1,0,0]=2 3362 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,1,0,0,0,0|1,0,0]=2 3363 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,1,0,0,0,0|1,0,0]=2 3364 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,1,0,0,0,0|1,0,0]=2 3365 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,1,0,0,0,0|1,0,0]=2 3366 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,1,0,0,0,0|1,0,0]=2 3367 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,1,0,0,0,0|1,0,0]=2 3368 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,1,0,0,0,0|1,0,0]=2 3369 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,1,0,0,0,0|1,0,0]=2 3370 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,1,0,0,0,0|1,0,0]=2 3371 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,1,0,0,0,0|1,0,0]=2 3372 B13R0.2 CCOC(=O)CCCSCC#CCO 62a_100009991533_200000047223 [0,1,0,0,0,0|1,0,2]=4 3373 B13R0.2 CCOC(=O)CCCSCC#CCO 62a_200000047223_100009991533 [0,1,0,0,0,0|1,0,2]=4 3374 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100000687738_100009991533 [0,1,0,0,0,0|1,0,1]=3 3375 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100009991533_100000687738 [0,1,0,0,0,0|1,0,1]=3 3376 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,1,0,0,0,0|1,0,1]=3 3377 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,1,0,0,0,0|1,0,1]=3 3378 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,1,0,0,0,0|1,0,0]=2 3379 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,1,0,0,0,0|1,0,0]=2 3380 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,1,0,0,0,0|1,0,0]=2 3381 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,1,0,0,0,0|1,0,0]=2 3382 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,1,0,0,0,0|1,0,0]=2 3383 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,1,0,0,0,0|1,0,0]=2 3384 B13R0.2 CCOC(=O)CCCSCCSC#N 62a_100000034367_100009991533 [0,1,0,0,0,0|2,0,1]=4 3385 B13R0.2 CCOC(=O)CCCSCCSC#N 62a_100009991533_100000034367 [0,1,0,0,0,0|2,0,1]=4 3386 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,1,0,0,0,0|1,0,0]=2 3387 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,1,0,0,0,0|1,0,0]=2 3388 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,1,0,0,0,0|1,0,0]=2 3389 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,1,0,0,0,0|1,0,0]=2 3390 B13R0.2 CCOC(=O)CCNCCCN=[N+]=[N-] 2230a_100000744732_100011206558 [0,1,0,0,0,0|3,0,0]=4 3391 B13R0.2 CCOC(=O)CCNCCOCCO 2230a_100000211614_100011206558 [0,1,0,0,0,0|2,0,0]=3 3392 B13R0.2 CCOC(=O)CCNCCOCCO 34a_100000211614_100000765890 [0,1,0,0,0,0|2,0,0]=3 3393 B13R0.2 CCOC(=O)CCNCCSCCO 2230a_100011219999_100011206558 [0,1,0,0,0,0|2,0,0]=3 3394 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,1,0,0,0,0|1,0,0]=2 3395 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,1,0,0,0,0|1,0,0]=2 3396 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,1,0,0,0,0|1,0,0]=2 3397 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,1,0,0,0,0|1,0,0]=2 3398 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,1,0,0,0,0|1,0,0]=2 3399 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,1,0,0,0,0|1,0,0]=2 3400 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,1,0,0,0,0|1,0,0]=2 3401 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,1,0,0,0,0|1,0,0]=2 3402 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,1,0,0,0,0|1,0,0]=2 3403 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,1,0,0,0,0|1,0,0]=2 3404 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,1,0,0,0,0|1,0,0]=2 3405 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,1,0,0,0,0|1,0,0]=2 3406 B13R0.2 CCOC(=O)CCOCCOCCBr 34a_100000692535_100000765890 [0,1,0,0,0,0|2,0,0]=3 3407 B13R0.2 CCOC(=O)CCOCCOCCBr 7a_100000692535_100011206558 [0,1,0,0,0,0|2,0,0]=3 3408 B13R0.2 CCOC(=O)CCOCCOCCCl 34a_100011215305_100000765890 [0,1,0,0,0,0|2,0,0]=3 3409 B13R0.2 CCOC(=O)CCOCCOCCCl 7a_100011215305_100011206558 [0,1,0,0,0,0|2,0,0]=3 3410 B13R0.2 CCOC(=O)CCOCCOCCF 34a_200015357709_100000765890 [0,1,0,0,0,0|2,0,0]=3 3411 B13R0.2 CCOC(=O)CCOCCOCCF 7a_200015357709_100011206558 [0,1,0,0,0,0|2,0,0]=3 3412 B13R0.2 CCOC(=O)CCOCCOCCI 34a_100012149058_100000765890 [0,1,0,0,0,0|2,0,0]=3 3413 B13R0.2 CCOC(=O)CCOCCOCCI 7a_100012149058_100011206558 [0,1,0,0,0,0|2,0,0]=3 3414 B13R0.2 CCOC(=O)CCOCCOCCN 34a_100000211614_100000765890 [0,1,0,0,0,0|2,0,0]=3 3415 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100000765890_100000211819 [0,1,0,0,0,0|1,0,1]=3 3416 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100011219923_100000765890 [0,1,0,0,0,0|1,0,1]=3 3417 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,1,0,0,0,0|1,0,1]=3 3418 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,1,0,0,0,0|1,0,1]=3 3419 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,1,0,0,0,0|1,0,0]=2 3420 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,1,0,0,0,0|1,0,0]=2 3421 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,1,0,0,0,0|1,0,0]=2 3422 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,1,0,0,0,0|1,0,0]=2 3423 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,1,0,0,0,0|1,0,0]=2 3424 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,1,0,0,0,0|1,0,0]=2 3425 B13R0.2 CCOC(=O)CCSCCOCC#N 62a_100000765890_200000047693 [0,1,0,0,0,0|2,0,1]=4 3426 B13R0.2 CCOC(=O)CCSCCOCC#N 62a_200000047693_100000765890 [0,1,0,0,0,0|2,0,1]=4 3427 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100000765890_100011215305 [0,1,0,0,0,0|2,0,0]=3 3428 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100011215305_100000765890 [0,1,0,0,0,0|2,0,0]=3 3429 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000231047_100000765890 [0,1,0,0,0,0|2,0,0]=3 3430 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000765890_100000231047 [0,1,0,0,0,0|2,0,0]=3 3431 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,1,0,0,0,0|1,0,0]=2 3432 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,1,0,0,0,0|1,0,0]=2 3433 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,1,0,0,0,0|1,0,0]=2 3434 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,1,0,0,0,0|1,0,0]=2 3435 B13R0.2 CCOC(=O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100000188475 [0,1,0,0,0,0|3,0,0]=4 3436 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,1,0,0,0,0|2,0,0]=3 3437 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,1,0,0,0,0|2,0,0]=3 3438 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,1,0,0,0,0|1,0,0]=2 3439 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,1,0,0,0,0|1,0,0]=2 3440 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,1,0,0,0,0|1,0,0]=2 3441 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,1,0,0,0,0|1,0,0]=2 3442 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,1,0,0,0,0|1,0,0]=2 3443 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,1,0,0,0,0|1,0,0]=2 3444 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,1,0,0,0,0|1,0,0]=2 3445 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,1,0,0,0,0|1,0,0]=2 3446 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,1,0,0,0,0|2,0,0]=3 3447 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,1,0,0,0,0|2,0,0]=3 3448 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,1,0,0,0,0|2,0,0]=3 3449 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,1,0,0,0,0|2,0,0]=3 3450 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,1,0,0,0,0|2,0,0]=3 3451 B13R0.2 CCOC(=O)COCCCSCC#N 62a_100009893628_100011215382 [0,1,0,0,0,0|2,0,1]=4 3452 B13R0.2 CCOC(=O)COCCCSCC#N 62a_100011215382_100009893628 [0,1,0,0,0,0|2,0,1]=4 3453 B13R0.2 CCOC(=O)COCCCSCC=O 62a_100009893628_200015260668 [0,1,0,0,0,0|2,0,1]=4 3454 B13R0.2 CCOC(=O)COCCCSCC=O 62a_200015260668_100009893628 [0,1,0,0,0,0|2,0,1]=4 3455 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,1,0,0,0,0|2,0,0]=3 3456 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,1,0,0,0,0|2,0,0]=3 3457 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,1,0,0,0,0|2,0,0]=3 3458 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,1,0,0,0,0|2,0,0]=3 3459 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,1,0,0,0,0|2,0,0]=3 3460 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,1,0,0,0,0|2,0,0]=3 3461 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,1,0,0,0,0|2,0,0]=3 3462 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,1,0,0,0,0|2,0,0]=3 3463 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,1,0,0,0,0|2,0,0]=3 3464 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,1,0,0,0,0|2,0,0]=3 3465 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,1,0,0,0,0|2,0,0]=3 3466 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,1,0,0,0,0|2,0,0]=3 3467 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,1,0,0,0,0|2,0,0]=3 3468 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,1,0,0,0,0|2,0,0]=3 3469 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,1,0,0,0,0|2,0,0]=3 3470 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,1,0,0,0,0|2,0,0]=3 3471 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,1,0,0,0,0|2,0,0]=3 3472 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,1,0,0,0,0|2,0,0]=3 3473 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,1,0,0,0,0|2,0,0]=3 3474 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,1,0,0,0,0|2,0,0]=3 3475 B13R0.2 CCOC(=O)COCCOCCON 34a_100000700252_100000088970 [0,1,0,0,0,0|3,0,0]=4 3476 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,1,0,0,0,0|2,0,0]=3 3477 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,1,0,0,0,0|2,0,0]=3 3478 B13R0.2 CCOC(=O)COCCSCCC#N 62a_100000088970_100011215226 [0,1,0,0,0,0|2,0,1]=4 3479 B13R0.2 CCOC(=O)COCCSCCC#N 62a_100011215226_100000088970 [0,1,0,0,0,0|2,0,1]=4 3480 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,1,0,0,0,0|2,0,0]=3 3481 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,1,0,0,0,0|2,0,0]=3 3482 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,1,0,0,0,0|2,0,0]=3 3483 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,1,0,0,0,0|2,0,0]=3 3484 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,1,0,0,0,0|2,0,0]=3 3485 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,1,0,0,0,0|2,0,0]=3 3486 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,1,0,0,0,0|2,0,0]=3 3487 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,1,0,0,0,0|2,0,0]=3 3488 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,1,0,0,0,0|1,0,1]=3 3489 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,1,0,0,0,0|1,0,1]=3 3490 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,1,0,0,0,0|1,0,1]=3 3491 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,1,0,0,0,0|1,0,1]=3 3492 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,1,0,0,0,0|1,0,0]=2 3493 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,1,0,0,0,0|1,0,0]=2 3494 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,1,0,0,0,0|1,0,0]=2 3495 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,1,0,0,0,0|1,0,0]=2 3496 B13R0.2 CCOC(=O)CSCCOCCC#N 7a_200000230590_100000184422 [0,1,0,0,0,0|2,0,1]=4 3497 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,1,0,0,0,0|2,0,0]=3 3498 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,1,0,0,0,0|2,0,0]=3 3499 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,1,0,0,0,0|2,0,0]=3 3500 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,1,0,0,0,0|2,0,0]=3 3501 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,1,0,0,0,0|2,0,0]=3 3502 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,1,0,0,0,0|2,0,0]=3 3503 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,1,0,0,0,0|2,0,0]=3 3504 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,1,0,0,0,0|2,0,0]=3 3505 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,1,0,0,0,0|2,0,0]=3 3506 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,1,0,0,0,0|2,0,0]=3 3507 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,1,0,0,0,0|2,0,0]=3 3508 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,1,0,0,0,0|2,0,0]=3 3509 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,1,0,0,0,0|2,0,0]=3 3510 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,1,0,0,0,0|2,0,0]=3 3511 B13R0.2 CCOC(=O)NCCSCCCC#N 62a_100000687738_200011445536 [0,1,0,0,0,0|2,0,1]=4 3512 B13R0.2 CCOC(=O)NCCSCCCC=O 62a_200011292268_200011445536 [0,1,0,0,0,0|2,0,1]=4 3513 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,1,0,0,0,0|2,0,0]=3 3514 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,1,0,0,0,0|2,0,0]=3 3515 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,1,0,0,0,0|2,0,0]=3 3516 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,1,0,0,0,0|2,0,0]=3 3517 B13R0.2 CCOC(=O)OCSCCCCC#N 62a_100011219923_100000075025 [0,1,0,0,0,0|2,0,1]=4 3518 B13R0.2 CCOC(=O)OCSCCCCC=O 62a_100000139335_100000075025 [0,1,0,0,0,0|2,0,1]=4 3519 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,1,0,0,0,0|2,0,0]=3 3520 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,1,0,0,0,0|2,0,0]=3 3521 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,1,0,0,0,0|2,0,0]=3 3522 B13R0.2 CCOC(=O)OCSCCOCCO 62a_100011215305_100000075025 [0,1,0,0,0,0|3,0,0]=4 3523 B13R0.2 CCOC(=O)OCSCOCCOC 62a_100000231047_100000075025 [0,1,0,0,0,0|3,0,0]=4 3524 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,1,0,0,0,0|0,0,0]=1 3525 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,1,0,0,0,0|1,0,0]=2 3526 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,1,0,0,0,0|1,0,0]=2 3527 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,1,0,0,0,0|1,0,0]=2 3528 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,1,0,0,0,0|1,0,0]=2 3529 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,1,0,0,0,0|1,0,0]=2 3530 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,1,0,0,0,0|1,0,0]=2 3531 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,1,0,0,0,0|2,0,0]=3 3532 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,1,0,0,0,0|1,0,2]=4 3533 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,1,0,0,0,0|1,0,2]=4 3534 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,1,0,0,0,0|1,0,0]=2 3535 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,1,0,0,0,0|1,0,0]=2 3536 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,1,0,0,0,0|1,0,2]=4 3537 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,1,0,0,0,0|1,0,2]=4 3538 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,1,0,0,0,0|1,0,0]=2 3539 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,1,0,0,0,0|1,0,0]=2 3540 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,1,0,0,0,0|1,0,0]=2 3541 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,1,0,0,0,0|2,0,0]=3 3542 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,1,0,0,0,0|2,0,0]=3 3543 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,1,0,0,0,0|1,0,2]=4 3544 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,1,0,0,0,0|1,0,2]=4 3545 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,1,0,0,0,0|1,0,0]=2 3546 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,1,0,0,0,0|1,0,0]=2 3547 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,1,0,0,0,0|2,0,0]=3 3548 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,1,0,0,0,0|1,0,0]=2 3549 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,1,0,0,0,0|1,0,0]=2 3550 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,1,0,0,0,0|2,0,0]=3 3551 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,1,0,0,0,0|2,0,0]=3 3552 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,1,0,0,0,0|3,0,0]=4 3553 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,1,0,0,0,0|2,0,0]=3 3554 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,1,0,0,0,0|3,0,0]=4 3555 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,1,0,0,0,0|3,0,0]=4 3556 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,1,0,0,0,0|3,0,0]=4 3557 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,1,0,0,0,0|2,0,0]=3 3558 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,1,0,0,0,0|3,0,0]=4 3559 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,1,0,0,0,0|3,0,0]=4 3560 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,1,0,0,0,0|3,0,0]=4 3561 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,1,0,0,0,0|2,0,0]=3 3562 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,1,0,0,0,0|3,0,0]=4 3563 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,1,0,0,0,0|2,0,1]=4 3564 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,1,0,0,0,0|3,0,0]=4 3565 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,1,0,0,0,0|2,0,1]=4 3566 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,1,0,0,0,0|2,0,1]=4 3567 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,1,0,0,0,0|2,0,1]=4 3568 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,1,0,0,0,0|2,0,0]=3 3569 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,1,0,0,0,0|3,0,0]=4 3570 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,1,0,0,0,0|3,0,0]=4 3571 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,1,0,0,0,0|3,0,0]=4 3572 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,1,0,0,0,0|3,0,0]=4 3573 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,1,0,0,0,0|3,0,0]=4 3574 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,1,0,0,0,0|3,0,0]=4 3575 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,1,0,0,0,0|3,0,0]=4 3576 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,1,0,0,0,0|3,0,0]=4 3577 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,1,0,0,0,0|3,0,0]=4 3578 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,1,0,0,0,0|3,0,0]=4 3579 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,1,0,0,0,0|3,0,0]=4 3580 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,1,0,0,0,0|3,0,0]=4 3581 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,1,0,0,0,0|3,0,0]=4 3582 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,1,0,0,0,0|1,0,1]=3 3583 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,1,0,0,0,0|1,0,1]=3 3584 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100000692101_100000760002 [0,1,0,0,0,0|2,0,1]=4 3585 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100011219782_100000753159 [0,1,0,0,0,0|2,0,1]=4 3586 B13R0.66 C#CCCC(=O)CCCCCCOC 1458a_100000692101_100011998445 [0,1,0,0,0,0|2,0,1]=4 3587 B13R0.66 C#CCCC(=O)CCOCCCCC 34a_100011064465_100000718602 [0,1,0,0,0,0|2,0,1]=4 3588 B13R0.66 C#CCCC(=O)CCOCCCCC 7a_100011064465_100000210326 [0,1,0,0,0,0|2,0,1]=4 3589 B13R0.66 C#CCCC(=O)NCCCCCCC 11a_100000229938_100000692101 [0,1,0,0,0,0|2,0,1]=4 3590 B13R0.66 C#CCCC(=O)NCCCCCCC 1626a_100000229938_100000692101 [0,1,0,0,0,0|2,0,1]=4 3591 B13R0.66 C#CCCC(=O)NCCCCCCC 240690a_100000229938_100000692101 [0,1,0,0,0,0|2,0,1]=4 3592 B13R0.66 C#CCCC(=O)NCCCCCCC 527a_100000229938_100000692101 [0,1,0,0,0,0|2,0,1]=4 3593 B13R0.66 C#CCCCCCCC(=O)C#CCC 1458a_100011827653_100012276617 [0,1,0,0,0,0|1,0,2]=4 3594 B13R0.66 C#CCCCCCCC(=O)C=CCC 1458a_100000212282_100012276617 [0,1,0,0,0,0|1,0,2]=4 3595 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000034748_100000210211 [0,1,0,0,0,0|1,0,2]=4 3596 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000210183_100012276617 [0,1,0,0,0,0|1,0,2]=4 3597 B13R0.66 C#CCCCCCCC(=O)CCCF 1458a_100000034748_100011934791 [0,1,0,0,0,0|1,0,2]=4 3598 B13R0.66 C#CCCCCCCC(=O)CCCO 1458a_100000034748_100011215043 [0,1,0,0,0,0|1,0,2]=4 3599 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000034748_100000233755 [0,1,0,0,0,0|1,0,2]=4 3600 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000749529_100012276617 [0,1,0,0,0,0|1,0,2]=4 3601 B13R0.66 C#CCCCCCCC(=O)CCSC 1458a_100000034748_100000751147 [0,1,0,0,0,0|1,0,2]=4 3602 B13R0.66 C#CCCCCCCC(=O)CCSC 1458a_100000174002_100012276617 [0,1,0,0,0,0|1,0,2]=4 3603 B13R0.66 C#CCCCCCCC(=O)COCC 1458a_100000211967_100012276617 [0,1,0,0,0,0|0,0,2]=3 3604 B13R0.66 C#CCCCCCCC(=O)CSCC 1458a_100000230394_100012276617 [0,1,0,0,0,0|0,1,2]=4 3605 B13R0.66 C#CCCCCCCC(=O)NCCC 11a_100020643023_100000034748 [0,1,0,0,0,0|1,0,2]=4 3606 B13R0.66 C#CCCCCCCC(=O)NCCC 1626a_100020643023_100000034748 [0,1,0,0,0,0|1,0,2]=4 3607 B13R0.66 C#CCCCCCCC(=O)NCCC 240690a_100020643023_100000034748 [0,1,0,0,0,0|1,0,2]=4 3608 B13R0.66 C#CCCCCCCC(=O)NCCC 527a_100020643023_100000034748 [0,1,0,0,0,0|1,0,2]=4 3609 B13R0.66 C#CCCCCCCC(=O)NCCF 11a_100000724931_100000034748 [0,1,0,0,0,0|1,0,2]=4 3610 B13R0.66 C#CCCCCCCC(=O)NCCF 1626a_100000724931_100000034748 [0,1,0,0,0,0|1,0,2]=4 3611 B13R0.66 C#CCCCCCCC(=O)NCCF 240690a_100000724931_100000034748 [0,1,0,0,0,0|1,0,2]=4 3612 B13R0.66 C#CCCCCCCC(=O)NCCF 527a_100000724931_100000034748 [0,1,0,0,0,0|1,0,2]=4 3613 B13R0.66 C#CCCCCCCC(=O)NCCO 240690a_100000210304_100000034748 [0,1,0,0,0,0|1,0,2]=4 3614 B13R0.66 C#CCCCCCCC(=O)NCCO 527a_100000210304_100000034748 [0,1,0,0,0,0|1,0,2]=4 3615 B13R0.66 C#CCCCCCCC(=O)NNCC 22a_100000756455_100000034748 [0,1,0,0,0,0|1,0,2]=4 3616 B13R0.66 C#CCCCCNCC(=O)OCCC 2230a_100000706060_200011215008 [0,1,0,0,0,0|1,0,2]=4 3617 B13R0.66 C#CCCCCNCC(=O)OCCC 34a_100000706060_200011215008 [0,1,0,0,0,0|1,0,2]=4 3618 B13R0.66 C#CCCCCOCC(=O)OCCC 34a_100000766709_200011215008 [0,1,0,0,0,0|1,0,2]=4 3619 B13R0.66 C#CCCCCOCC(=O)OCCC 7a_100000766709_200011215008 [0,1,0,0,0,0|1,0,2]=4 3620 B13R0.66 C#CCCCCSCC(=O)OCCC 62a_100010269958_200011215008 [0,1,0,0,0,0|1,0,2]=4 3621 B13R0.66 C#CCCCCSCC(=O)OCCC 62a_200011215008_100010269958 [0,1,0,0,0,0|1,0,2]=4 3622 B13R0.66 C#CCNC(=O)CCCCCCCC 11a_100000212058_100000210188 [0,1,0,0,0,0|1,0,1]=3 3623 B13R0.66 C#CCNC(=O)CCCCCCCC 1626a_100000212058_100000210188 [0,1,0,0,0,0|1,0,1]=3 3624 B13R0.66 C#CCNC(=O)CCCCCCCC 240690a_100000212058_100000210188 [0,1,0,0,0,0|1,0,1]=3 3625 B13R0.66 C#CCNC(=O)CCCCCCCC 527a_100000212058_100000210188 [0,1,0,0,0,0|1,0,1]=3 3626 B13R0.66 C#CCNC(=O)CCCCCCCO 240690a_100000212058_100011219782 [0,1,0,0,0,0|2,0,1]=4 3627 B13R0.66 C#CCNC(=O)CNCCCCCC 2230a_100000747989_100000210314 [0,1,0,0,0,0|2,0,1]=4 3628 B13R0.66 C#CCNC(=O)CNCCCCCC 34a_100000747989_100000210314 [0,1,0,0,0,0|2,0,1]=4 3629 B13R0.66 C#CCNC(=O)NCCCCCCC 2708a_100000212058_100000229938 [0,1,0,0,0,0|2,0,1]=4 3630 B13R0.66 C#CCNC(=O)NCCCCCCC 2708a_100000229938_100000212058 [0,1,0,0,0,0|2,0,1]=4 3631 B13R0.66 C#CCNC(=O)NCCCCCCC 273464a_100000212058_100000229938 [0,1,0,0,0,0|2,0,1]=4 3632 B13R0.66 C#CCNC(=O)NCCCCCCC 273464a_100000229938_100000212058 [0,1,0,0,0,0|2,0,1]=4 3633 B13R0.66 C#CCNC(=O)NCCCCCCC 512a_100000212058_100000229938 [0,1,0,0,0,0|2,0,1]=4 3634 B13R0.66 C#CCNC(=O)NCCCCCCC 512a_100000229938_100000212058 [0,1,0,0,0,0|2,0,1]=4 3635 B13R0.66 C#CCOC(C)CCCCCCCC 34a_100000210740_100000184674 [0,1,0,0,0,0|1,0,2]=4 3636 B13R0.66 C#CCOC(C)CCCCCCCC 7a_100000210740_100000038162 [0,1,0,0,0,0|1,0,2]=4 3637 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,1,0,0,0,0|1,0,1]=3 3638 B13R0.66 C/C=C/CC(=O)CCCCCCCO 1458a_100011219782_100102629194 [0,1,0,0,0,0|2,0,1]=4 3639 B13R0.66 C=C(CNCCCCCO)OCOC 34a_100000762737_100000042856 [0,1,0,0,0,0|3,0,0]=4 3640 B13R0.66 C=C(CNCCCOCC)OCOC 34a_100000210961_100000042856 [0,1,0,0,0,0|3,0,0]=4 3641 B13R0.66 C=C(CNCCOCCC)OCOC 34a_100161115042_100000042856 [0,1,0,0,0,0|3,0,0]=4 3642 B13R0.66 C=C(COCCCCCBr)OCOC 34a_100000746331_100000042856 [0,1,0,0,0,0|3,0,0]=4 3643 B13R0.66 C=C(COCCCCCC)OCOC 34a_100000210259_100000042856 [0,1,0,0,0,0|2,0,0]=3 3644 B13R0.66 C=C(COCCCCCCl)OCOC 34a_100000746330_100000042856 [0,1,0,0,0,0|3,0,0]=4 3645 B13R0.66 C=C(COCCCCCI)OCOC 34a_200012148887_100000042856 [0,1,0,0,0,0|3,0,0]=4 3646 B13R0.66 C=C(COCCCCCN)OCOC 34a_100000762737_100000042856 [0,1,0,0,0,0|3,0,0]=4 3647 B13R0.66 C=C(COCCCCOC)OCOC 34a_100000740925_100000042856 [0,1,0,0,0,0|3,0,0]=4 3648 B13R0.66 C=C(COCCCCSC)OCOC 34a_100011217163_100000042856 [0,1,0,0,0,0|3,0,0]=4 3649 B13R0.66 C=C(COCCCOCC)OCOC 34a_100000757476_100000042856 [0,1,0,0,0,0|3,0,0]=4 3650 B13R0.66 C=C(COCCCSCC)OCOC 34a_100011216438_100000042856 [0,1,0,0,0,0|3,0,0]=4 3651 B13R0.66 C=C(COCCOCCC)OCOC 34a_100000752267_100000042856 [0,1,0,0,0,0|3,0,0]=4 3652 B13R0.66 C=C(COCCSCCC)OCOC 34a_200000230433_100000042856 [0,1,0,0,0,0|3,0,0]=4 3653 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000042856_100000210757 [0,1,0,0,0,0|2,0,0]=3 3654 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000210314_100000042856 [0,1,0,0,0,0|2,0,0]=3 3655 B13R0.66 C=C(CSCCCCCF)OCOC 62a_100000042856_100000729378 [0,1,0,0,0,0|3,0,0]=4 3656 B13R0.66 C=C(CSCCCCCF)OCOC 62a_100000729378_100000042856 [0,1,0,0,0,0|3,0,0]=4 3657 B13R0.66 C=C(CSCCCCCO)OCOC 62a_100000042856_100000746330 [0,1,0,0,0,0|3,0,0]=4 3658 B13R0.66 C=C(CSCCCCCO)OCOC 62a_100000746330_100000042856 [0,1,0,0,0,0|3,0,0]=4 3659 B13R0.66 C=C(CSCCCCOC)OCOC 62a_100000042856_100000730899 [0,1,0,0,0,0|3,0,0]=4 3660 B13R0.66 C=C(CSCCCCOC)OCOC 62a_100000730899_100000042856 [0,1,0,0,0,0|3,0,0]=4 3661 B13R0.66 C=C(CSCCCOCC)OCOC 62a_100000042856_100012232248 [0,1,0,0,0,0|3,0,0]=4 3662 B13R0.66 C=C(CSCCCOCC)OCOC 62a_100012232248_100000042856 [0,1,0,0,0,0|3,0,0]=4 3663 B13R0.66 C=C(CSCCOCCC)OCOC 62a_100000042856_100011215938 [0,1,0,0,0,0|3,0,0]=4 3664 B13R0.66 C=C(CSCCOCCC)OCOC 62a_100011215938_100000042856 [0,1,0,0,0,0|3,0,0]=4 3665 B13R0.66 C=C(CSCOCCCC)OCOC 62a_100000042856_100011995733 [0,1,0,0,0,0|3,0,0]=4 3666 B13R0.66 C=C(CSCOCCCC)OCOC 62a_100011995733_100000042856 [0,1,0,0,0,0|3,0,0]=4 3667 B13R0.66 C=CC=CC(=O)CCCCCCCC 1458a_100016291481_100000210759 [0,1,0,0,0,0|1,0,2]=4 3668 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,1,0,0,0,0|1,0,1]=3 3669 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,1,0,0,0,0|1,0,1]=3 3670 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,1,0,0,0,0|2,0,1]=4 3671 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,1,0,0,0,0|2,0,1]=4 3672 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,1,0,0,0,0|2,0,1]=4 3673 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 3674 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 3675 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 3676 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 3677 B13R0.66 C=CCCCCCCC(=O)C#CCC 1458a_100011827653_100011215473 [0,1,0,0,0,0|1,0,2]=4 3678 B13R0.66 C=CCCCCCCC(=O)C=CCC 1458a_100000212282_100011215473 [0,1,0,0,0,0|1,0,2]=4 3679 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,1,0,0,0,0|1,0,2]=4 3680 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,1,0,0,0,0|1,0,2]=4 3681 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [0,1,0,0,0,0|1,0,2]=4 3682 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,1,0,0,0,0|1,0,2]=4 3683 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,1,0,0,0,0|1,0,2]=4 3684 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,1,0,0,0,0|1,0,2]=4 3685 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [0,1,0,0,0,0|1,0,2]=4 3686 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [0,1,0,0,0,0|1,0,2]=4 3687 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [0,1,0,0,0,0|0,0,2]=3 3688 B13R0.66 C=CCCCCCCC(=O)CSCC 1458a_100000230394_100011215473 [0,1,0,0,0,0|0,1,2]=4 3689 B13R0.66 C=CCCCCCCC(=O)NCCC 11a_100020643023_100011809334 [0,1,0,0,0,0|1,0,2]=4 3690 B13R0.66 C=CCCCCCCC(=O)NCCC 1626a_100020643023_100011809334 [0,1,0,0,0,0|1,0,2]=4 3691 B13R0.66 C=CCCCCCCC(=O)NCCC 240690a_100020643023_100011809334 [0,1,0,0,0,0|1,0,2]=4 3692 B13R0.66 C=CCCCCCCC(=O)NCCC 527a_100020643023_100011809334 [0,1,0,0,0,0|1,0,2]=4 3693 B13R0.66 C=CCCCCCCC(=O)NCCF 11a_100000724931_100011809334 [0,1,0,0,0,0|1,0,2]=4 3694 B13R0.66 C=CCCCCCCC(=O)NCCF 1626a_100000724931_100011809334 [0,1,0,0,0,0|1,0,2]=4 3695 B13R0.66 C=CCCCCCCC(=O)NCCF 240690a_100000724931_100011809334 [0,1,0,0,0,0|1,0,2]=4 3696 B13R0.66 C=CCCCCCCC(=O)NCCF 527a_100000724931_100011809334 [0,1,0,0,0,0|1,0,2]=4 3697 B13R0.66 C=CCCCCCCC(=O)NCCO 240690a_100000210304_100011809334 [0,1,0,0,0,0|1,0,2]=4 3698 B13R0.66 C=CCCCCCCC(=O)NCCO 527a_100000210304_100011809334 [0,1,0,0,0,0|1,0,2]=4 3699 B13R0.66 C=CCCCCCCC(=O)NNCC 22a_100000756455_100011809334 [0,1,0,0,0,0|1,0,2]=4 3700 B13R0.66 C=CCCCCNCC(=O)OCCC 2230a_100000703577_200011215008 [0,1,0,0,0,0|1,0,2]=4 3701 B13R0.66 C=CCCCCNCC(=O)OCCC 34a_100000703577_200011215008 [0,1,0,0,0,0|1,0,2]=4 3702 B13R0.66 C=CCCCCOCC(=O)OCCC 34a_100000766645_200011215008 [0,1,0,0,0,0|1,0,2]=4 3703 B13R0.66 C=CCCCCOCC(=O)OCCC 7a_100000766645_200011215008 [0,1,0,0,0,0|1,0,2]=4 3704 B13R0.66 C=CCCCCSCC(=O)OCCC 62a_100011215482_200011215008 [0,1,0,0,0,0|1,0,2]=4 3705 B13R0.66 C=CCCCCSCC(=O)OCCC 62a_200011215008_100011215482 [0,1,0,0,0,0|1,0,2]=4 3706 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,1,0,0,0,0|1,0,1]=3 3707 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,1,0,0,0,0|1,0,1]=3 3708 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,1,0,0,0,0|1,0,1]=3 3709 B13R0.66 C=CCNC(=O)CCCCCCCO 240690a_100020586998_100011219782 [0,1,0,0,0,0|2,0,1]=4 3710 B13R0.66 C=CCNC(=O)CCNCCCCC 2230a_100000209983_100011222895 [0,1,0,0,0,0|2,0,1]=4 3711 B13R0.66 C=CCNC(=O)CCOCCCCC 7a_100000210253_100011222895 [0,1,0,0,0,0|2,0,1]=4 3712 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100000210326_100011222895 [0,1,0,0,0,0|2,0,1]=4 3713 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100011222895_100000210326 [0,1,0,0,0,0|2,0,1]=4 3714 B13R0.66 C=CCNC(=O)CNCCCCCC 2230a_100000210581_100000183597 [0,1,0,0,0,0|2,0,1]=4 3715 B13R0.66 C=CCNC(=O)COCCCCCC 7a_100000210259_100000183597 [0,1,0,0,0,0|2,0,1]=4 3716 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000183597_100000210757 [0,1,0,0,0,0|2,0,1]=4 3717 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000210314_100000183597 [0,1,0,0,0,0|2,0,1]=4 3718 B13R0.66 C=CCNC(=O)NCCCCCCC 2708a_100000229938_100020586998 [0,1,0,0,0,0|2,0,1]=4 3719 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100000229938_100020586998 [0,1,0,0,0,0|2,0,1]=4 3720 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100020586998_100000229938 [0,1,0,0,0,0|2,0,1]=4 3721 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100000229938_100020586998 [0,1,0,0,0,0|2,0,1]=4 3722 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100020586998_100000229938 [0,1,0,0,0,0|2,0,1]=4 3723 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [0,1,0,0,0,0|1,0,1]=3 3724 B13R0.66 C=CCOC(=O)CNCCCCCO 2230a_100000762737_100000033060 [0,1,0,0,0,0|2,0,1]=4 3725 B13R0.66 C=CCOC(=O)CNCCCCCO 34a_100000762737_100000033060 [0,1,0,0,0,0|2,0,1]=4 3726 B13R0.66 C=CCOC(=O)CNCCCOCC 2230a_100000210961_100000033060 [0,1,0,0,0,0|2,0,1]=4 3727 B13R0.66 C=CCOC(=O)CNCCCOCC 34a_100000210961_100000033060 [0,1,0,0,0,0|2,0,1]=4 3728 B13R0.66 C=CCOC(=O)CNCCOCCC 2230a_100161115042_100000033060 [0,1,0,0,0,0|2,0,1]=4 3729 B13R0.66 C=CCOC(=O)CNCCOCCC 34a_100161115042_100000033060 [0,1,0,0,0,0|2,0,1]=4 3730 B13R0.66 C=CCOC(=O)CNCCSCCC 2230a_100020603323_100000033060 [0,1,0,0,0,0|2,0,1]=4 3731 B13R0.66 C=CCOC(=O)COCCCCCBr 34a_100000746331_100000033060 [0,1,0,0,0,0|2,0,1]=4 3732 B13R0.66 C=CCOC(=O)COCCCCCBr 7a_100000746331_100000033060 [0,1,0,0,0,0|2,0,1]=4 3733 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [0,1,0,0,0,0|1,0,1]=3 3734 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [0,1,0,0,0,0|1,0,1]=3 3735 B13R0.66 C=CCOC(=O)COCCCCCCl 34a_100000746330_100000033060 [0,1,0,0,0,0|2,0,1]=4 3736 B13R0.66 C=CCOC(=O)COCCCCCCl 7a_100000746330_100000033060 [0,1,0,0,0,0|2,0,1]=4 3737 B13R0.66 C=CCOC(=O)COCCCCCI 34a_200012148887_100000033060 [0,1,0,0,0,0|2,0,1]=4 3738 B13R0.66 C=CCOC(=O)COCCCCCI 7a_200012148887_100000033060 [0,1,0,0,0,0|2,0,1]=4 3739 B13R0.66 C=CCOC(=O)COCCCCCN 34a_100000762737_100000033060 [0,1,0,0,0,0|2,0,1]=4 3740 B13R0.66 C=CCOC(=O)COCCCCOC 34a_100000740925_100000033060 [0,1,0,0,0,0|2,0,1]=4 3741 B13R0.66 C=CCOC(=O)COCCCCSC 34a_100011217163_100000033060 [0,1,0,0,0,0|2,0,1]=4 3742 B13R0.66 C=CCOC(=O)COCCCCSC 7a_100011217163_100000033060 [0,1,0,0,0,0|2,0,1]=4 3743 B13R0.66 C=CCOC(=O)COCCCOCC 34a_100000757476_100000033060 [0,1,0,0,0,0|2,0,1]=4 3744 B13R0.66 C=CCOC(=O)COCCCOCC 7a_100000757476_100000033060 [0,1,0,0,0,0|2,0,1]=4 3745 B13R0.66 C=CCOC(=O)COCCCSCC 34a_100011216438_100000033060 [0,1,0,0,0,0|2,0,1]=4 3746 B13R0.66 C=CCOC(=O)COCCCSCC 7a_100011216438_100000033060 [0,1,0,0,0,0|2,0,1]=4 3747 B13R0.66 C=CCOC(=O)COCCOCCC 34a_100000752267_100000033060 [0,1,0,0,0,0|2,0,1]=4 3748 B13R0.66 C=CCOC(=O)COCCOCCC 7a_100000752267_100000033060 [0,1,0,0,0,0|2,0,1]=4 3749 B13R0.66 C=CCOC(=O)COCCSCCC 34a_200000230433_100000033060 [0,1,0,0,0,0|2,0,1]=4 3750 B13R0.66 C=CCOC(=O)COCCSCCC 7a_200000230433_100000033060 [0,1,0,0,0,0|2,0,1]=4 3751 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [0,1,0,0,0,0|1,0,1]=3 3752 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [0,1,0,0,0,0|1,0,1]=3 3753 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000033060_100000729378 [0,1,0,0,0,0|2,0,1]=4 3754 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000729378_100000033060 [0,1,0,0,0,0|2,0,1]=4 3755 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000033060_100000746330 [0,1,0,0,0,0|2,0,1]=4 3756 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000746330_100000033060 [0,1,0,0,0,0|2,0,1]=4 3757 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000033060_100000730899 [0,1,0,0,0,0|2,0,1]=4 3758 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000730899_100000033060 [0,1,0,0,0,0|2,0,1]=4 3759 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100000033060_100012232248 [0,1,0,0,0,0|2,0,1]=4 3760 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100012232248_100000033060 [0,1,0,0,0,0|2,0,1]=4 3761 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100000033060_100011215938 [0,1,0,0,0,0|2,0,1]=4 3762 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100011215938_100000033060 [0,1,0,0,0,0|2,0,1]=4 3763 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100000033060_100011995733 [0,1,0,0,0,0|2,0,1]=4 3764 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100011995733_100000033060 [0,1,0,0,0,0|2,0,1]=4 3765 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,1,0,0,0,0|1,0,2]=4 3766 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,1,0,0,0,0|1,0,2]=4 3767 B13R0.66 CC#CCC(=O)CCCCCCCC 1458a_100000210188_100000748600 [0,1,0,0,0,0|1,0,1]=3 3768 B13R0.66 CC#CCC(=O)CCCCCCCO 1458a_100011219782_100000748600 [0,1,0,0,0,0|2,0,1]=4 3769 B13R0.66 CC/C=C\CCOCC(=O)OCCC 34a_100016288707_200011215008 [0,1,0,0,0,0|1,0,2]=4 3770 B13R0.66 CC/C=C\CCOCC(=O)OCCC 7a_100016288707_200011215008 [0,1,0,0,0,0|1,0,2]=4 3771 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_100015370543_200011215008 [0,1,0,0,0,0|1,0,2]=4 3772 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_200011215008_100015370543 [0,1,0,0,0,0|1,0,2]=4 3773 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,1,0,0,0,0|1,0,1]=3 3774 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,1,0,0,0,0|1,0,1]=3 3775 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100011219782_100000070051 [0,1,0,0,0,0|2,0,1]=4 3776 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100121576822_100000760002 [0,1,0,0,0,0|2,0,1]=4 3777 B13R0.66 CC=CCC(=O)CCCCCCOC 1458a_100121576822_100011998445 [0,1,0,0,0,0|2,0,1]=4 3778 B13R0.66 CC=CCC(=O)NCCCCCCC 11a_100000229938_100121576822 [0,1,0,0,0,0|2,0,1]=4 3779 B13R0.66 CC=CCC(=O)NCCCCCCC 1626a_100000229938_100121576822 [0,1,0,0,0,0|2,0,1]=4 3780 B13R0.66 CC=CCC(=O)NCCCCCCC 240690a_100000229938_100121576822 [0,1,0,0,0,0|2,0,1]=4 3781 B13R0.66 CC=CCC(=O)NCCCCCCC 527a_100000229938_100121576822 [0,1,0,0,0,0|2,0,1]=4 3782 B13R0.66 CC=CCCCOCC(=O)OCCC 34a_100020645299_200011215008 [0,1,0,0,0,0|1,0,2]=4 3783 B13R0.66 CCC#CC(=O)CC#CCCCCC 1458a_100011827653_100009816472 [0,1,0,0,0,0|1,0,2]=4 3784 B13R0.66 CCC#CC(=O)CCCCCCC#N 1458a_100011827653_100009813337 [0,1,0,0,0,0|2,0,1]=4 3785 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [0,1,0,0,0,0|1,0,0]=2 3786 B13R0.66 CCC#CC(=O)CCCCCCCO 1458a_100011827653_100000760002 [0,1,0,0,0,0|2,0,0]=3 3787 B13R0.66 CCC#CC(=O)CCCCCCOC 1458a_100011827653_100011998445 [0,1,0,0,0,0|2,0,0]=3 3788 B13R0.66 CCC#CC(=O)CCCOCCOC 1458a_100011827653_100011216529 [0,1,0,0,0,0|3,0,0]=4 3789 B13R0.66 CCC#CC(=O)CCOCCOCC 1458a_100011827653_100011211534 [0,1,0,0,0,0|3,0,0]=4 3790 B13R0.66 CCC#CCCOCC(=O)OCCC 34a_100000036655_200011215008 [0,1,0,0,0,0|1,0,2]=4 3791 B13R0.66 CCC#CCCOCC(=O)OCCC 7a_100000036655_200011215008 [0,1,0,0,0,0|1,0,2]=4 3792 B13R0.66 CCC/C=C/COCC(=O)OCCC 34a_100016278788_200011215008 [0,1,0,0,0,0|1,0,2]=4 3793 B13R0.66 CCC/C=C/COCC(=O)OCCC 7a_100016278788_200011215008 [0,1,0,0,0,0|1,0,2]=4 3794 B13R0.66 CCC=CC(=O)CC#CCCCCC 1458a_100000212282_100009816472 [0,1,0,0,0,0|1,0,2]=4 3795 B13R0.66 CCC=CC(=O)CCCCCCC#N 1458a_100000212282_100009813337 [0,1,0,0,0,0|2,0,1]=4 3796 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [0,1,0,0,0,0|1,0,0]=2 3797 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [0,1,0,0,0,0|2,0,0]=3 3798 B13R0.66 CCC=CC(=O)CCCCCCOC 1458a_100000212282_100011998445 [0,1,0,0,0,0|2,0,0]=3 3799 B13R0.66 CCC=CC(=O)CCCOCCOC 1458a_100000212282_100011216529 [0,1,0,0,0,0|3,0,0]=4 3800 B13R0.66 CCC=CC(=O)CCOCCOCC 1458a_100000212282_100011211534 [0,1,0,0,0,0|3,0,0]=4 3801 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [0,1,0,0,0,0|2,0,0]=3 3802 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [0,1,0,0,0,0|2,0,0]=3 3803 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [0,1,0,0,0,0|2,0,0]=3 3804 B13R0.66 CCC=CC(=O)NCCCCCCO 240690a_100000686447_100000212282 [0,1,0,0,0,0|3,0,0]=4 3805 B13R0.66 CCC=CC(=O)NCCCCCOC 11a_100000747528_100000212282 [0,1,0,0,0,0|3,0,0]=4 3806 B13R0.66 CCC=CC(=O)NCCCCCOC 1626a_100000747528_100000212282 [0,1,0,0,0,0|3,0,0]=4 3807 B13R0.66 CCC=CC(=O)NCCCCCOC 240690a_100000747528_100000212282 [0,1,0,0,0,0|3,0,0]=4 3808 B13R0.66 CCC=CC(=O)NCCCOCCC 1626a_100011217757_100000212282 [0,1,0,0,0,0|3,0,0]=4 3809 B13R0.66 CCC=CC(=O)NCCCOCCC 240690a_100011217757_100000212282 [0,1,0,0,0,0|3,0,0]=4 3810 B13R0.66 CCC=CC(=O)NCCSCCCC 11a_100025743550_100000212282 [0,1,0,0,0,0|3,0,0]=4 3811 B13R0.66 CCC=CC(=O)NCCSCCCC 1626a_100025743550_100000212282 [0,1,0,0,0,0|3,0,0]=4 3812 B13R0.66 CCC=CC(=O)NCCSCCCC 240690a_100025743550_100000212282 [0,1,0,0,0,0|3,0,0]=4 3813 B13R0.66 CCCC#CCOCC(=O)OCCC 34a_100000034806_200011215008 [0,1,0,0,0,0|1,0,2]=4 3814 B13R0.66 CCCC#CCOCC(=O)OCCC 7a_100000034806_200011215008 [0,1,0,0,0,0|1,0,2]=4 3815 B13R0.66 CCCCC(=O)CCCCCCC#N 1458a_100000210183_100009813337 [0,1,0,0,0,0|2,0,1]=4 3816 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,1,0,0,0,0|2,0,0]=3 3817 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,1,0,0,0,0|2,0,0]=3 3818 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,1,0,0,0,0|2,0,0]=3 3819 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [0,1,0,0,0,0|3,0,0]=4 3820 B13R0.66 CCCCC(=O)CCOCCOCC 1458a_100000210183_100011211534 [0,1,0,0,0,0|3,0,0]=4 3821 B13R0.66 CCCCC(=O)NCCCCCCO 240690a_100000686447_100000210183 [0,1,0,0,0,0|3,0,0]=4 3822 B13R0.66 CCCCC(=O)NCCCCCCO 527a_100000686447_100000210183 [0,1,0,0,0,0|3,0,0]=4 3823 B13R0.66 CCCCC(=O)NCCCCCOC 11a_100000747528_100000210183 [0,1,0,0,0,0|3,0,0]=4 3824 B13R0.66 CCCCC(=O)NCCCCCOC 1626a_100000747528_100000210183 [0,1,0,0,0,0|3,0,0]=4 3825 B13R0.66 CCCCC(=O)NCCCCCOC 240690a_100000747528_100000210183 [0,1,0,0,0,0|3,0,0]=4 3826 B13R0.66 CCCCC(=O)NCCCCCOC 527a_100000747528_100000210183 [0,1,0,0,0,0|3,0,0]=4 3827 B13R0.66 CCCCC(=O)NCCCOCCC 1626a_100011217757_100000210183 [0,1,0,0,0,0|3,0,0]=4 3828 B13R0.66 CCCCC(=O)NCCCOCCC 240690a_100011217757_100000210183 [0,1,0,0,0,0|3,0,0]=4 3829 B13R0.66 CCCCC(=O)NCCCOCCC 527a_100011217757_100000210183 [0,1,0,0,0,0|3,0,0]=4 3830 B13R0.66 CCCCC/C=C/CC(=O)CCCC 1458a_100020675968_100000210211 [0,1,0,0,0,0|1,0,2]=4 3831 B13R0.66 CCCCC/C=C/CC(=O)CCCF 1458a_100020675968_100011934791 [0,1,0,0,0,0|1,0,2]=4 3832 B13R0.66 CCCCC/C=C/CC(=O)CCCO 1458a_100020675968_100011215043 [0,1,0,0,0,0|1,0,2]=4 3833 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [0,1,0,0,0,0|1,0,2]=4 3834 B13R0.66 CCCCC/C=C/CC(=O)CCSC 1458a_100020675968_100000751147 [0,1,0,0,0,0|1,0,2]=4 3835 B13R0.66 CCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020675968 [0,1,0,0,0,0|1,0,2]=4 3836 B13R0.66 CCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020675968 [0,1,0,0,0,0|1,0,2]=4 3837 B13R0.66 CCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020675968 [0,1,0,0,0,0|1,0,2]=4 3838 B13R0.66 CCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020675968 [0,1,0,0,0,0|1,0,2]=4 3839 B13R0.66 CCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020675968 [0,1,0,0,0,0|1,0,2]=4 3840 B13R0.66 CCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020675968 [0,1,0,0,0,0|1,0,2]=4 3841 B13R0.66 CCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020675968 [0,1,0,0,0,0|1,0,2]=4 3842 B13R0.66 CCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020675968 [0,1,0,0,0,0|1,0,2]=4 3843 B13R0.66 CCCCCC#CCC(=O)CCCC 1458a_100000210183_100009816472 [0,1,0,0,0,0|1,0,2]=4 3844 B13R0.66 CCCCCC#CCC(=O)CCOC 1458a_100000749529_100009816472 [0,1,0,0,0,0|1,0,2]=4 3845 B13R0.66 CCCCCC#CCC(=O)CCSC 1458a_100000174002_100009816472 [0,1,0,0,0,0|1,0,2]=4 3846 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [0,1,0,0,0,0|0,0,2]=3 3847 B13R0.66 CCCCCC#CCC(=O)CSCC 1458a_100000230394_100009816472 [0,1,0,0,0,0|0,1,2]=4 3848 B13R0.66 CCCCCC=NNC(=O)COCC 4a_100000216846_100000737632 [0,1,0,0,0,0|2,0,1]=4 3849 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,1,0,0,0,0|1,0,2]=4 3850 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [0,1,0,0,0,0|1,0,2]=4 3851 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,1,0,0,0,0|1,0,2]=4 3852 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,1,0,0,0,0|1,0,2]=4 3853 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [0,1,0,0,0,0|1,0,2]=4 3854 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [0,1,0,0,0,0|1,0,2]=4 3855 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [0,1,0,0,0,0|1,0,2]=4 3856 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [0,1,0,0,0,0|1,0,2]=4 3857 B13R0.66 CCCCCCC=CC(=O)NCCF 11a_100000724931_200015324643 [0,1,0,0,0,0|1,0,2]=4 3858 B13R0.66 CCCCCCC=CC(=O)NCCF 1626a_100000724931_200015324643 [0,1,0,0,0,0|1,0,2]=4 3859 B13R0.66 CCCCCCC=CC(=O)NCCF 240690a_100000724931_200015324643 [0,1,0,0,0,0|1,0,2]=4 3860 B13R0.66 CCCCCCC=CC(=O)NCCO 240690a_100000210304_200015324643 [0,1,0,0,0,0|1,0,2]=4 3861 B13R0.66 CCCCCCC=CC(=O)NNCC 22a_100000756455_200015324643 [0,1,0,0,0,0|1,0,2]=4 3862 B13R0.66 CCCCCCCCC(=NNCC)C 4a_100000756455_100011216694 [0,1,0,0,0,0|2,0,0]=3 3863 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [0,1,0,0,0,0|1,0,1]=3 3864 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [0,1,0,0,0,0|1,0,1]=3 3865 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,1,0,0,0,0|1,0,1]=3 3866 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,1,0,0,0,0|1,0,1]=3 3867 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,1,0,0,0,0|1,0,0]=2 3868 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,1,0,0,0,0|1,0,0]=2 3869 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,1,0,0,0,0|1,0,0]=2 3870 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,1,0,0,0,0|1,0,0]=2 3871 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,1,0,0,0,0|1,0,0]=2 3872 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,1,0,0,0,0|1,0,0]=2 3873 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,1,0,0,0,0|1,0,0]=2 3874 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,1,0,0,0,0|1,0,0]=2 3875 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,1,0,0,0,0|0,0,0]=1 3876 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,1,0,0,0,0|0,1,0]=2 3877 B13R0.66 CCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210188 [0,1,0,0,0,0|1,0,1]=3 3878 B13R0.66 CCCCCCCCC(=O)NCC#N 527a_100000734998_100000210188 [0,1,0,0,0,0|1,0,1]=3 3879 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,1,0,0,0,0|1,0,0]=2 3880 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,1,0,0,0,0|1,0,0]=2 3881 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,1,0,0,0,0|1,0,0]=2 3882 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,1,0,0,0,0|1,0,0]=2 3883 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,1,0,0,0,0|1,0,0]=2 3884 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,1,0,0,0,0|1,0,0]=2 3885 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,1,0,0,0,0|1,0,0]=2 3886 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,1,0,0,0,0|1,0,0]=2 3887 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,1,0,0,0,0|1,0,0]=2 3888 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,1,0,0,0,0|1,0,0]=2 3889 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [0,1,0,0,0,0|1,0,0]=2 3890 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [0,1,0,0,0,0|2,0,1]=4 3891 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,1,0,0,0,0|1,0,1]=3 3892 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,1,0,0,0,0|1,0,1]=3 3893 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [0,1,0,0,0,0|2,0,1]=4 3894 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [0,1,0,0,0,0|2,0,1]=4 3895 B13R0.66 CCCCCCCCC(C)NCCC 270004a_100020643023_100011216694 [0,1,0,0,0,0|2,0,1]=4 3896 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [0,1,0,0,0,0|2,0,1]=4 3897 B13R0.66 CCCCCCCCC(C)OCC#N 7a_100000210740_100011215382 [0,1,0,0,0,0|1,0,2]=4 3898 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,1,0,0,0,0|1,0,2]=4 3899 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,1,0,0,0,0|1,0,2]=4 3900 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [0,1,0,0,0,0|1,0,1]=3 3901 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [0,1,0,0,0,0|1,0,1]=3 3902 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [0,1,0,0,0,0|1,0,1]=3 3903 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [0,1,0,0,0,0|1,0,1]=3 3904 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,1,0,0,0,0|1,0,1]=3 3905 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,1,0,0,0,0|1,0,1]=3 3906 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [0,1,0,0,0,0|1,0,1]=3 3907 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207549_100000210759 [0,1,0,0,0,0|3,0,0]=4 3908 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207567_100000210211 [0,1,0,0,0,0|3,0,0]=4 3909 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207549_100000210759 [0,1,0,0,0,0|3,0,0]=4 3910 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207567_100000210211 [0,1,0,0,0,0|3,0,0]=4 3911 B13R0.66 CCCCCCCCN(C)CCCF 2230a_100000207567_100011934791 [0,1,0,0,0,0|3,0,0]=4 3912 B13R0.66 CCCCCCCCN(C)CCCF 269982a_100000207567_100011934791 [0,1,0,0,0,0|3,0,0]=4 3913 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [0,1,0,0,0,0|3,0,0]=4 3914 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [0,1,0,0,0,0|3,0,0]=4 3915 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [0,1,0,0,0,0|3,0,0]=4 3916 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [0,1,0,0,0,0|3,0,0]=4 3917 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [0,1,0,0,0,0|3,0,0]=4 3918 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [0,1,0,0,0,0|3,0,0]=4 3919 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [0,1,0,0,0,0|3,0,0]=4 3920 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [0,1,0,0,0,0|3,0,0]=4 3921 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000207567_100000751147 [0,1,0,0,0,0|3,0,0]=4 3922 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000686725_100000210759 [0,1,0,0,0,0|3,0,0]=4 3923 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000207567_100000212216 [0,1,0,0,0,0|3,0,0]=4 3924 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000686725_100000210759 [0,1,0,0,0,0|3,0,0]=4 3925 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [0,1,0,0,0,0|2,0,0]=3 3926 B13R0.66 CCCCCCCNC(=O)C=COC 1626a_100000229938_100016268678 [0,1,0,0,0,0|2,0,1]=4 3927 B13R0.66 CCCCCCCNC(=O)C=COC 240690a_100000229938_100016268678 [0,1,0,0,0,0|2,0,1]=4 3928 B13R0.66 CCCCCCCNC(=O)CCC#N 11a_100000229938_100011934036 [0,1,0,0,0,0|2,0,1]=4 3929 B13R0.66 CCCCCCCNC(=O)CCC#N 1626a_100000229938_100011934036 [0,1,0,0,0,0|2,0,1]=4 3930 B13R0.66 CCCCCCCNC(=O)CCC#N 240690a_100000229938_100011934036 [0,1,0,0,0,0|2,0,1]=4 3931 B13R0.66 CCCCCCCNC(=O)CCC#N 527a_100000229938_100011934036 [0,1,0,0,0,0|2,0,1]=4 3932 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,1,0,0,0,0|2,0,0]=3 3933 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,1,0,0,0,0|2,0,0]=3 3934 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,1,0,0,0,0|2,0,0]=3 3935 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,1,0,0,0,0|2,0,0]=3 3936 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,1,0,0,0,0|2,0,0]=3 3937 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,1,0,0,0,0|2,0,0]=3 3938 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,1,0,0,0,0|2,0,0]=3 3939 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,1,0,0,0,0|2,0,0]=3 3940 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [0,1,0,0,0,0|2,0,0]=3 3941 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [0,1,0,0,0,0|2,0,0]=3 3942 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [0,1,0,0,0,0|2,0,0]=3 3943 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [0,1,0,0,0,0|2,0,0]=3 3944 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,1,0,0,0,0|1,0,0]=2 3945 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,1,0,0,0,0|1,0,0]=2 3946 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,1,0,0,0,0|1,0,0]=2 3947 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,1,0,0,0,0|1,0,0]=2 3948 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [0,1,0,0,0,0|1,1,0]=3 3949 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [0,1,0,0,0,0|1,1,0]=3 3950 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [0,1,0,0,0,0|1,1,0]=3 3951 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [0,1,0,0,0,0|1,1,0]=3 3952 B13R0.66 CCCCCCCNC(=O)NCC#N 2708a_100000734998_100000229938 [0,1,0,0,0,0|2,0,1]=4 3953 B13R0.66 CCCCCCCNC(=O)NCC#N 273464a_100000229938_100000734998 [0,1,0,0,0,0|2,0,1]=4 3954 B13R0.66 CCCCCCCNC(=O)NCC#N 273464a_100000734998_100000229938 [0,1,0,0,0,0|2,0,1]=4 3955 B13R0.66 CCCCCCCNC(=O)NCC#N 512a_100000229938_100000734998 [0,1,0,0,0,0|2,0,1]=4 3956 B13R0.66 CCCCCCCNC(=O)NCC#N 512a_100000734998_100000229938 [0,1,0,0,0,0|2,0,1]=4 3957 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [0,1,0,0,0,0|2,0,0]=3 3958 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [0,1,0,0,0,0|2,0,0]=3 3959 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [0,1,0,0,0,0|2,0,0]=3 3960 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [0,1,0,0,0,0|2,0,0]=3 3961 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [0,1,0,0,0,0|2,0,0]=3 3962 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [0,1,0,0,0,0|2,0,0]=3 3963 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [0,1,0,0,0,0|2,0,0]=3 3964 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [0,1,0,0,0,0|2,0,0]=3 3965 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [0,1,0,0,0,0|2,0,0]=3 3966 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [0,1,0,0,0,0|2,0,0]=3 3967 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,1,0,0,0,0|2,0,0]=3 3968 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,1,0,0,0,0|2,0,0]=3 3969 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,1,0,0,0,0|2,0,0]=3 3970 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,1,0,0,0,0|2,0,0]=3 3971 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [0,1,0,0,0,0|2,0,0]=3 3972 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [0,1,0,0,0,0|2,0,0]=3 3973 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [0,1,0,0,0,0|2,0,0]=3 3974 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [0,1,0,0,0,0|2,0,1]=4 3975 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [0,1,0,0,0,0|2,0,1]=4 3976 B13R0.66 CCCCCCNCC(=O)NCC#N 2230a_100000210581_100000736037 [0,1,0,0,0,0|2,0,1]=4 3977 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [0,1,0,0,0,0|2,0,0]=3 3978 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [0,1,0,0,0,0|2,0,0]=3 3979 B13R0.66 CCCCCCNCC(=O)NCCF 2230a_100000725713_100000210314 [0,1,0,0,0,0|2,0,0]=3 3980 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,1,0,0,0,0|1,0,0]=2 3981 B13R0.66 CCCCCCNCC(C)OCCC 2230a_100015185124_100000210314 [0,1,0,0,0,0|2,0,1]=4 3982 B13R0.66 CCCCCCNCC(C)OCCC 34a_100015185124_100000210314 [0,1,0,0,0,0|2,0,1]=4 3983 B13R0.66 CCCCCCNCC(O)COCC 2230a_102515437182_100000210314 [0,1,0,0,0,0|1,0,2]=4 3984 B13R0.66 CCCCCCNCC(O)COCC 34a_102515437182_100000210314 [0,1,0,0,0,0|1,0,2]=4 3985 B13R0.66 CCCCCCOCC(=O)NCC#N 7a_100000210259_100000736037 [0,1,0,0,0,0|2,0,1]=4 3986 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,1,0,0,0,0|2,0,0]=3 3987 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,1,0,0,0,0|2,0,0]=3 3988 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,1,0,0,0,0|1,0,0]=2 3989 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,1,0,0,0,0|1,0,0]=2 3990 B13R0.66 CCCCCCOC[C@@H](C)OCOC 34a_100016172286_100000210314 [0,1,0,0,0,0|2,0,1]=4 3991 B13R0.66 CCCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210314 [0,1,0,0,0,0|2,0,1]=4 3992 B13R0.66 CCCCCCSCC(=O)NCC#N 62a_100000210314_100000736037 [0,1,0,0,0,0|2,0,1]=4 3993 B13R0.66 CCCCCCSCC(=O)NCC#N 62a_100000736037_100000210757 [0,1,0,0,0,0|2,0,1]=4 3994 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [0,1,0,0,0,0|2,0,0]=3 3995 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [0,1,0,0,0,0|2,0,0]=3 3996 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,1,0,0,0,0|1,0,0]=2 3997 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,1,0,0,0,0|1,0,0]=2 3998 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,1,0,0,0,0|2,0,0]=3 3999 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,1,0,0,0,0|2,0,0]=3 4000 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,1,0,0,0,0|2,0,0]=3 4001 B13R0.66 CCCCNCCCC(=O)NCCC 2230a_100000102301_100011194427 [0,1,0,0,0,0|2,0,0]=3 4002 B13R0.66 CCCCNCCCC(=O)NCCC 7a_106832991798_100011194427 [0,1,0,0,0,0|2,0,0]=3 4003 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [0,1,0,0,0,0|2,0,0]=3 4004 B13R0.66 CCCCOCNCC(=O)NCCC 2230a_100000174927_100011995733 [0,1,0,0,0,0|3,0,0]=4 4005 B13R0.66 CCCCOCNCC(=O)NCCF 2230a_100000725713_100011995733 [0,1,0,0,0,0|3,0,0]=4 4006 B13R0.66 CCCCOCSCC(=O)NCCC 62a_100000183358_100011995733 [0,1,0,0,0,0|3,0,0]=4 4007 B13R0.66 CCCCOCSCC(=O)NCCC 62a_100011995733_100000183358 [0,1,0,0,0,0|3,0,0]=4 4008 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [0,1,0,0,0,0|2,0,0]=3 4009 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [0,1,0,0,0,0|2,0,0]=3 4010 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100000210211_100011194427 [0,1,0,0,0,0|2,0,0]=3 4011 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100011194427_100000210210 [0,1,0,0,0,0|2,0,0]=3 4012 B13R0.66 CCCCSCCNC(=O)CCCC 11a_100025743550_100000210183 [0,1,0,0,0,0|3,0,0]=4 4013 B13R0.66 CCCCSCCNC(=O)CCCC 1626a_100025743550_100000210183 [0,1,0,0,0,0|3,0,0]=4 4014 B13R0.66 CCCCSCCNC(=O)CCCC 240690a_100025743550_100000210183 [0,1,0,0,0,0|3,0,0]=4 4015 B13R0.66 CCCCSCCNC(=O)CCCC 527a_100025743550_100000210183 [0,1,0,0,0,0|3,0,0]=4 4016 B13R0.66 CCCCSCCNC(=O)CCOC 11a_100025743550_100000749529 [0,1,0,0,0,0|3,0,0]=4 4017 B13R0.66 CCCCSCCNC(=O)CCOC 1626a_100025743550_100000749529 [0,1,0,0,0,0|3,0,0]=4 4018 B13R0.66 CCCCSCCNC(=O)CCOC 240690a_100025743550_100000749529 [0,1,0,0,0,0|3,0,0]=4 4019 B13R0.66 CCCCSCCNC(=O)CCOC 527a_100025743550_100000749529 [0,1,0,0,0,0|3,0,0]=4 4020 B13R0.66 CCCCSCCNC(=O)CCSC 11a_100025743550_100000174002 [0,1,0,0,0,0|3,0,0]=4 4021 B13R0.66 CCCCSCCNC(=O)CCSC 1626a_100025743550_100000174002 [0,1,0,0,0,0|3,0,0]=4 4022 B13R0.66 CCCCSCCNC(=O)CCSC 240690a_100025743550_100000174002 [0,1,0,0,0,0|3,0,0]=4 4023 B13R0.66 CCCCSCCNC(=O)CCSC 527a_100025743550_100000174002 [0,1,0,0,0,0|3,0,0]=4 4024 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [0,1,0,0,0,0|2,0,0]=3 4025 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [0,1,0,0,0,0|2,0,0]=3 4026 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [0,1,0,0,0,0|2,0,0]=3 4027 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [0,1,0,0,0,0|2,0,0]=3 4028 B13R0.66 CCCCSCCNC(=O)CSCC 11a_100025743550_100000230394 [0,1,0,0,0,0|2,1,0]=4 4029 B13R0.66 CCCCSCCNC(=O)CSCC 1626a_100025743550_100000230394 [0,1,0,0,0,0|2,1,0]=4 4030 B13R0.66 CCCCSCCNC(=O)CSCC 240690a_100025743550_100000230394 [0,1,0,0,0,0|2,1,0]=4 4031 B13R0.66 CCCCSCCNC(=O)CSCC 527a_100025743550_100000230394 [0,1,0,0,0,0|2,1,0]=4 4032 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100020643023_100025743550 [0,1,0,0,0,0|3,0,0]=4 4033 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100025743550_100020643023 [0,1,0,0,0,0|3,0,0]=4 4034 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100020643023_100025743550 [0,1,0,0,0,0|3,0,0]=4 4035 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100025743550_100020643023 [0,1,0,0,0,0|3,0,0]=4 4036 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100020643023_100025743550 [0,1,0,0,0,0|3,0,0]=4 4037 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100025743550_100020643023 [0,1,0,0,0,0|3,0,0]=4 4038 B13R0.66 CCCCSCCNC(=O)NCCF 2708a_100025743550_100000724931 [0,1,0,0,0,0|3,0,0]=4 4039 B13R0.66 CCCCSCCNC(=O)NCCF 273464a_100000724931_100025743550 [0,1,0,0,0,0|3,0,0]=4 4040 B13R0.66 CCCCSCCNC(=O)NCCF 273464a_100025743550_100000724931 [0,1,0,0,0,0|3,0,0]=4 4041 B13R0.66 CCCCSCCNC(=O)NCCF 512a_100025743550_100000724931 [0,1,0,0,0,0|3,0,0]=4 4042 B13R0.66 CCCCSCCNC(=O)NCCO 2708a_100025743550_100000210304 [0,1,0,0,0,0|3,0,0]=4 4043 B13R0.66 CCCCSCCNC(=O)NCCO 273464a_100000210304_100025743550 [0,1,0,0,0,0|3,0,0]=4 4044 B13R0.66 CCCCSCCNC(=O)NCCO 273464a_100025743550_100000210304 [0,1,0,0,0,0|3,0,0]=4 4045 B13R0.66 CCCCSCCNC(=O)NCCO 512a_100025743550_100000210304 [0,1,0,0,0,0|3,0,0]=4 4046 B13R0.66 CCCCSCCNC(=O)NNCC 273464a_100025743550_100000756455 [0,1,0,0,0,0|3,0,0]=4 4047 B13R0.66 CCCCSCCNC(=O)NNCC 512a_100000756455_100025743550 [0,1,0,0,0,0|3,0,0]=4 4048 B13R0.66 CCCCSCCNC(=O)NNCC 512a_100025743550_100000756455 [0,1,0,0,0,0|3,0,0]=4 4049 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [0,1,0,0,0,0|2,0,0]=3 4050 B13R0.66 CCCNC(=O)CCCNCCCF 2230a_100015189416_100011194427 [0,1,0,0,0,0|3,0,0]=4 4051 B13R0.66 CCCNC(=O)CCCNCCOC 2230a_100000209980_100011194427 [0,1,0,0,0,0|3,0,0]=4 4052 B13R0.66 CCCNC(=O)CCCNCCSC 2230a_100020590264_100011194427 [0,1,0,0,0,0|3,0,0]=4 4053 B13R0.66 CCCNC(=O)CCCOCCSC 7a_100000230434_100011194427 [0,1,0,0,0,0|3,0,0]=4 4054 B13R0.66 CCCNC(=O)CCCSCCCF 62a_100011194427_100011934791 [0,1,0,0,0,0|3,0,0]=4 4055 B13R0.66 CCCNC(=O)CCCSCCCF 62a_100011934791_100011194427 [0,1,0,0,0,0|3,0,0]=4 4056 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011194427_100011215043 [0,1,0,0,0,0|3,0,0]=4 4057 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011215043_100011194427 [0,1,0,0,0,0|3,0,0]=4 4058 B13R0.66 CCCNC(=O)CCCSCCOC 62a_100000233755_100011194427 [0,1,0,0,0,0|3,0,0]=4 4059 B13R0.66 CCCNC(=O)CCCSCCOC 62a_100011194427_100000233755 [0,1,0,0,0,0|3,0,0]=4 4060 B13R0.66 CCCNC(=O)CCCSCCSC 62a_100000212216_100011194427 [0,1,0,0,0,0|3,0,0]=4 4061 B13R0.66 CCCNC(=O)CCCSCCSC 62a_100011194427_100000751147 [0,1,0,0,0,0|3,0,0]=4 4062 B13R0.66 CCCNC(=O)CCCSCOCC 62a_100000739092_100011194427 [0,1,0,0,0,0|3,0,0]=4 4063 B13R0.66 CCCNC(=O)CCCSCOCC 62a_100011194427_100000739092 [0,1,0,0,0,0|3,0,0]=4 4064 B13R0.66 CCCNC(=O)CNCCCCCF 2230a_100000174927_100000729378 [0,1,0,0,0,0|3,0,0]=4 4065 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000174927_100000746330 [0,1,0,0,0,0|3,0,0]=4 4066 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000762737_100000183358 [0,1,0,0,0,0|3,0,0]=4 4067 B13R0.66 CCCNC(=O)CNCCCCCO 34a_100000762737_100000183358 [0,1,0,0,0,0|3,0,0]=4 4068 B13R0.66 CCCNC(=O)CNCCCCOC 2230a_100000174927_100000730899 [0,1,0,0,0,0|3,0,0]=4 4069 B13R0.66 CCCNC(=O)CNCCCOCC 2230a_100000174927_100012232248 [0,1,0,0,0,0|3,0,0]=4 4070 B13R0.66 CCCNC(=O)CNCCCOCC 2230a_100000210961_100000183358 [0,1,0,0,0,0|3,0,0]=4 4071 B13R0.66 CCCNC(=O)CNCCCOCC 34a_100000210961_100000183358 [0,1,0,0,0,0|3,0,0]=4 4072 B13R0.66 CCCNC(=O)CNCCOCCC 2230a_100000174927_100011215938 [0,1,0,0,0,0|3,0,0]=4 4073 B13R0.66 CCCNC(=O)CNCCOCCC 2230a_100161115042_100000183358 [0,1,0,0,0,0|3,0,0]=4 4074 B13R0.66 CCCNC(=O)CNCCOCCC 34a_100161115042_100000183358 [0,1,0,0,0,0|3,0,0]=4 4075 B13R0.66 CCCNC(=O)CNCCSCCC 2230a_100020603323_100000183358 [0,1,0,0,0,0|3,0,0]=4 4076 B13R0.66 CCCNC(=O)COCCCCCBr 34a_100000746331_100000183358 [0,1,0,0,0,0|3,0,0]=4 4077 B13R0.66 CCCNC(=O)COCCCCCBr 7a_100000746331_100000183358 [0,1,0,0,0,0|3,0,0]=4 4078 B13R0.66 CCCNC(=O)COCCCCCCl 34a_100000746330_100000183358 [0,1,0,0,0,0|3,0,0]=4 4079 B13R0.66 CCCNC(=O)COCCCCCCl 7a_100000746330_100000183358 [0,1,0,0,0,0|3,0,0]=4 4080 B13R0.66 CCCNC(=O)COCCCCCI 34a_200012148887_100000183358 [0,1,0,0,0,0|3,0,0]=4 4081 B13R0.66 CCCNC(=O)COCCCCCI 7a_200012148887_100000183358 [0,1,0,0,0,0|3,0,0]=4 4082 B13R0.66 CCCNC(=O)COCCCCCN 34a_100000762737_100000183358 [0,1,0,0,0,0|3,0,0]=4 4083 B13R0.66 CCCNC(=O)COCCCCOC 34a_100000740925_100000183358 [0,1,0,0,0,0|3,0,0]=4 4084 B13R0.66 CCCNC(=O)COCCCCSC 34a_100011217163_100000183358 [0,1,0,0,0,0|3,0,0]=4 4085 B13R0.66 CCCNC(=O)COCCCCSC 7a_100011217163_100000183358 [0,1,0,0,0,0|3,0,0]=4 4086 B13R0.66 CCCNC(=O)COCCCOCC 34a_100000757476_100000183358 [0,1,0,0,0,0|3,0,0]=4 4087 B13R0.66 CCCNC(=O)COCCCOCC 7a_100000757476_100000183358 [0,1,0,0,0,0|3,0,0]=4 4088 B13R0.66 CCCNC(=O)COCCCSCC 34a_100011216438_100000183358 [0,1,0,0,0,0|3,0,0]=4 4089 B13R0.66 CCCNC(=O)COCCCSCC 7a_100011216438_100000183358 [0,1,0,0,0,0|3,0,0]=4 4090 B13R0.66 CCCNC(=O)COCCOCCC 34a_100000752267_100000183358 [0,1,0,0,0,0|3,0,0]=4 4091 B13R0.66 CCCNC(=O)COCCOCCC 7a_100000752267_100000183358 [0,1,0,0,0,0|3,0,0]=4 4092 B13R0.66 CCCNC(=O)COCCSCCC 34a_200000230433_100000183358 [0,1,0,0,0,0|3,0,0]=4 4093 B13R0.66 CCCNC(=O)COCCSCCC 7a_200000230433_100000183358 [0,1,0,0,0,0|3,0,0]=4 4094 B13R0.66 CCCNC(=O)CSCCCCCF 62a_100000183358_100000729378 [0,1,0,0,0,0|3,0,0]=4 4095 B13R0.66 CCCNC(=O)CSCCCCCF 62a_100000729378_100000183358 [0,1,0,0,0,0|3,0,0]=4 4096 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000183358_100000746330 [0,1,0,0,0,0|3,0,0]=4 4097 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000746330_100000183358 [0,1,0,0,0,0|3,0,0]=4 4098 B13R0.66 CCCNC(=O)CSCCCCOC 62a_100000183358_100000730899 [0,1,0,0,0,0|3,0,0]=4 4099 B13R0.66 CCCNC(=O)CSCCCCOC 62a_100000730899_100000183358 [0,1,0,0,0,0|3,0,0]=4 4100 B13R0.66 CCCNC(=O)CSCCCOCC 62a_100000183358_100012232248 [0,1,0,0,0,0|3,0,0]=4 4101 B13R0.66 CCCNC(=O)CSCCCOCC 62a_100012232248_100000183358 [0,1,0,0,0,0|3,0,0]=4 4102 B13R0.66 CCCNC(=O)CSCCOCCC 62a_100000183358_100011215938 [0,1,0,0,0,0|3,0,0]=4 4103 B13R0.66 CCCNC(=O)CSCCOCCC 62a_100011215938_100000183358 [0,1,0,0,0,0|3,0,0]=4 4104 B13R0.66 CCCNC(=O)NCCCCCCO 2708a_100020643023_100000686447 [0,1,0,0,0,0|3,0,0]=4 4105 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100000686447_100020643023 [0,1,0,0,0,0|3,0,0]=4 4106 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100020643023_100000686447 [0,1,0,0,0,0|3,0,0]=4 4107 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100000686447_100020643023 [0,1,0,0,0,0|3,0,0]=4 4108 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100020643023_100000686447 [0,1,0,0,0,0|3,0,0]=4 4109 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100000747528_100020643023 [0,1,0,0,0,0|3,0,0]=4 4110 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100020643023_100000747528 [0,1,0,0,0,0|3,0,0]=4 4111 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100000747528_100020643023 [0,1,0,0,0,0|3,0,0]=4 4112 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100020643023_100000747528 [0,1,0,0,0,0|3,0,0]=4 4113 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100000747528_100020643023 [0,1,0,0,0,0|3,0,0]=4 4114 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100020643023_100000747528 [0,1,0,0,0,0|3,0,0]=4 4115 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100011217757_100020643023 [0,1,0,0,0,0|3,0,0]=4 4116 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100020643023_100011217757 [0,1,0,0,0,0|3,0,0]=4 4117 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100011217757_100020643023 [0,1,0,0,0,0|3,0,0]=4 4118 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100020643023_100011217757 [0,1,0,0,0,0|3,0,0]=4 4119 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100011217757_100020643023 [0,1,0,0,0,0|3,0,0]=4 4120 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100020643023_100011217757 [0,1,0,0,0,0|3,0,0]=4 4121 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,1,0,0,0,0|2,0,0]=3 4122 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,1,0,0,0,0|2,0,0]=3 4123 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [0,1,0,0,0,0|2,0,0]=3 4124 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [0,1,0,0,0,0|2,0,0]=3 4125 B13R0.66 CCCOC(=O)CNCCOCCO 2230a_100000211614_200011215008 [0,1,0,0,0,0|3,0,0]=4 4126 B13R0.66 CCCOC(=O)CNCCOCCO 34a_100000211614_200011215008 [0,1,0,0,0,0|3,0,0]=4 4127 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [0,1,0,0,0,0|2,0,0]=3 4128 B13R0.66 CCCOC(=O)CNCCSCCO 2230a_100011219999_200011215008 [0,1,0,0,0,0|3,0,0]=4 4129 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [0,1,0,0,0,0|2,0,0]=3 4130 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [0,1,0,0,0,0|2,0,0]=3 4131 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [0,1,0,0,0,0|2,0,0]=3 4132 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [0,1,0,0,0,0|2,0,0]=3 4133 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [0,1,0,0,0,0|2,0,0]=3 4134 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [0,1,0,0,0,0|2,0,0]=3 4135 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [0,1,0,0,0,0|2,0,0]=3 4136 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [0,1,0,0,0,0|2,0,0]=3 4137 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [0,1,0,0,0,0|2,0,0]=3 4138 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [0,1,0,0,0,0|2,0,0]=3 4139 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,1,0,0,0,0|2,0,0]=3 4140 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,1,0,0,0,0|2,0,0]=3 4141 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,1,0,0,0,0|2,0,0]=3 4142 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,1,0,0,0,0|2,0,0]=3 4143 B13R0.66 CCCOC(=O)COCCOCCBr 34a_100000692535_200011215008 [0,1,0,0,0,0|3,0,0]=4 4144 B13R0.66 CCCOC(=O)COCCOCCBr 7a_100000692535_200011215008 [0,1,0,0,0,0|3,0,0]=4 4145 B13R0.66 CCCOC(=O)COCCOCCCl 34a_100011215305_200011215008 [0,1,0,0,0,0|3,0,0]=4 4146 B13R0.66 CCCOC(=O)COCCOCCCl 7a_100011215305_200011215008 [0,1,0,0,0,0|3,0,0]=4 4147 B13R0.66 CCCOC(=O)COCCOCCF 34a_200015357709_200011215008 [0,1,0,0,0,0|3,0,0]=4 4148 B13R0.66 CCCOC(=O)COCCOCCF 7a_200015357709_200011215008 [0,1,0,0,0,0|3,0,0]=4 4149 B13R0.66 CCCOC(=O)COCCOCCI 34a_100012149058_200011215008 [0,1,0,0,0,0|3,0,0]=4 4150 B13R0.66 CCCOC(=O)COCCOCCI 7a_100012149058_200011215008 [0,1,0,0,0,0|3,0,0]=4 4151 B13R0.66 CCCOC(=O)COCCOCCN 34a_100000211614_200011215008 [0,1,0,0,0,0|3,0,0]=4 4152 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,1,0,0,0,0|2,0,0]=3 4153 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,1,0,0,0,0|2,0,0]=3 4154 B13R0.66 CCCOC(=O)CSCCCCC#N 62a_100011219923_200011215008 [0,1,0,0,0,0|2,0,1]=4 4155 B13R0.66 CCCOC(=O)CSCCCCC#N 62a_200011215008_100000211819 [0,1,0,0,0,0|2,0,1]=4 4156 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_100000139335_200011215008 [0,1,0,0,0,0|2,0,1]=4 4157 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_200011215008_100000139335 [0,1,0,0,0,0|2,0,1]=4 4158 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [0,1,0,0,0,0|2,0,0]=3 4159 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [0,1,0,0,0,0|2,0,0]=3 4160 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,1,0,0,0,0|2,0,0]=3 4161 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,1,0,0,0,0|2,0,0]=3 4162 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [0,1,0,0,0,0|2,0,0]=3 4163 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [0,1,0,0,0,0|2,0,0]=3 4164 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [0,1,0,0,0,0|2,0,0]=3 4165 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [0,1,0,0,0,0|2,0,0]=3 4166 B13R0.66 CCCOC(=O)CSCCOCCO 62a_100011215305_200011215008 [0,1,0,0,0,0|3,0,0]=4 4167 B13R0.66 CCCOC(=O)CSCCOCCO 62a_200011215008_100011215305 [0,1,0,0,0,0|3,0,0]=4 4168 B13R0.66 CCCOC(=O)CSCOCCOC 62a_100000231047_200011215008 [0,1,0,0,0,0|3,0,0]=4 4169 B13R0.66 CCCOC(=O)CSCOCCOC 62a_200011215008_100000231047 [0,1,0,0,0,0|3,0,0]=4 4170 B13R0.66 CCCOC(=O)OCNCCCCO 34a_100000750430_200000139673 [0,1,0,0,0,0|3,0,0]=4 4171 B13R0.66 CCCOC(=O)OCNCCCOC 34a_100150723488_200000139673 [0,1,0,0,0,0|3,0,0]=4 4172 B13R0.66 CCCOC(=O)OCNCCOCC 34a_102516460346_200000139673 [0,1,0,0,0,0|3,0,0]=4 4173 B13R0.66 CCCOC(=O)OCOCCCCBr 34a_100011216708_200000139673 [0,1,0,0,0,0|3,0,0]=4 4174 B13R0.66 CCCOC(=O)OCOCCCCCl 34a_100000210776_200000139673 [0,1,0,0,0,0|3,0,0]=4 4175 B13R0.66 CCCOC(=O)OCOCCCCCl 7a_100000210776_200000139673 [0,1,0,0,0,0|3,0,0]=4 4176 B13R0.66 CCCOC(=O)OCOCCCCF 34a_100011995726_200000139673 [0,1,0,0,0,0|3,0,0]=4 4177 B13R0.66 CCCOC(=O)OCOCCCCF 7a_100011995726_200000139673 [0,1,0,0,0,0|3,0,0]=4 4178 B13R0.66 CCCOC(=O)OCOCCCCI 34a_200012148704_200000139673 [0,1,0,0,0,0|3,0,0]=4 4179 B13R0.66 CCCOC(=O)OCOCCCCN 34a_100000750430_200000139673 [0,1,0,0,0,0|3,0,0]=4 4180 B13R0.66 CCCOC(=O)OCOCCCNC 34a_100000213112_200000139673 [0,1,0,0,0,0|3,0,0]=4 4181 B13R0.66 CCCOC(=O)OCOCCCOC 34a_100000740835_200000139673 [0,1,0,0,0,0|3,0,0]=4 4182 B13R0.66 CCCOC(=O)OCOCCCSC 34a_100000690336_200000139673 [0,1,0,0,0,0|3,0,0]=4 4183 B13R0.66 CCCOC(=O)OCOCCCSC 7a_100000690336_200000139673 [0,1,0,0,0,0|3,0,0]=4 4184 B13R0.66 CCCOC(=O)OCOCCOCC 34a_100000210136_200000139673 [0,1,0,0,0,0|3,0,0]=4 4185 B13R0.66 CCCOC(=O)OCOCCOCC 7a_100000210136_200000139673 [0,1,0,0,0,0|3,0,0]=4 4186 B13R0.66 CCCOC(=O)OCOCCSCC 34a_100000212035_200000139673 [0,1,0,0,0,0|3,0,0]=4 4187 B13R0.66 CCCOC(=O)OCOCCSCC 7a_100000212035_200000139673 [0,1,0,0,0,0|3,0,0]=4 4188 B13R0.66 CCCOC(=O)OCSCCCCF 62a_100000729493_200000139673 [0,1,0,0,0,0|3,0,0]=4 4189 B13R0.66 CCCOC(=O)OCSCCCCO 62a_100000210776_200000139673 [0,1,0,0,0,0|3,0,0]=4 4190 B13R0.66 CCCOC(=O)OCSCCCOC 62a_100000709357_200000139673 [0,1,0,0,0,0|3,0,0]=4 4191 B13R0.66 CCCOC(=O)OCSCCOCC 62a_100000210147_200000139673 [0,1,0,0,0,0|3,0,0]=4 4192 B13R0.66 CCCOC(=O)OCSCCSCC 62a_100000757381_200000139673 [0,1,0,0,0,0|3,0,0]=4 4193 B13R0.66 CCCOCCCNC(=O)CCOC 1626a_100011217757_100000749529 [0,1,0,0,0,0|3,0,0]=4 4194 B13R0.66 CCCOCCCNC(=O)CCOC 240690a_100011217757_100000749529 [0,1,0,0,0,0|3,0,0]=4 4195 B13R0.66 CCCOCCCNC(=O)CCOC 527a_100011217757_100000749529 [0,1,0,0,0,0|3,0,0]=4 4196 B13R0.66 CCCOCCCNC(=O)CCSC 1626a_100011217757_100000174002 [0,1,0,0,0,0|3,0,0]=4 4197 B13R0.66 CCCOCCCNC(=O)CCSC 240690a_100011217757_100000174002 [0,1,0,0,0,0|3,0,0]=4 4198 B13R0.66 CCCOCCCNC(=O)CCSC 527a_100011217757_100000174002 [0,1,0,0,0,0|3,0,0]=4 4199 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [0,1,0,0,0,0|2,0,0]=3 4200 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [0,1,0,0,0,0|2,0,0]=3 4201 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [0,1,0,0,0,0|2,0,0]=3 4202 B13R0.66 CCCOCCCNC(=O)CSCC 1626a_100011217757_100000230394 [0,1,0,0,0,0|2,1,0]=4 4203 B13R0.66 CCCOCCCNC(=O)CSCC 240690a_100011217757_100000230394 [0,1,0,0,0,0|2,1,0]=4 4204 B13R0.66 CCCOCCCNC(=O)CSCC 527a_100011217757_100000230394 [0,1,0,0,0,0|2,1,0]=4 4205 B13R0.66 CCCOCCCNC(=O)NCCF 2708a_100011217757_100000724931 [0,1,0,0,0,0|3,0,0]=4 4206 B13R0.66 CCCOCCCNC(=O)NCCF 273464a_100000724931_100011217757 [0,1,0,0,0,0|3,0,0]=4 4207 B13R0.66 CCCOCCCNC(=O)NCCF 273464a_100011217757_100000724931 [0,1,0,0,0,0|3,0,0]=4 4208 B13R0.66 CCCOCCCNC(=O)NCCF 512a_100011217757_100000724931 [0,1,0,0,0,0|3,0,0]=4 4209 B13R0.66 CCCOCCCNC(=O)NCCO 2708a_100011217757_100000210304 [0,1,0,0,0,0|3,0,0]=4 4210 B13R0.66 CCCOCCCNC(=O)NCCO 273464a_100000210304_100011217757 [0,1,0,0,0,0|3,0,0]=4 4211 B13R0.66 CCCOCCCNC(=O)NCCO 273464a_100011217757_100000210304 [0,1,0,0,0,0|3,0,0]=4 4212 B13R0.66 CCCOCCCNC(=O)NCCO 512a_100011217757_100000210304 [0,1,0,0,0,0|3,0,0]=4 4213 B13R0.66 CCCOCCCNC(=O)NNCC 273464a_100011217757_100000756455 [0,1,0,0,0,0|3,0,0]=4 4214 B13R0.66 CCCOCCCNC(=O)NNCC 512a_100000756455_100011217757 [0,1,0,0,0,0|3,0,0]=4 4215 B13R0.66 CCCOCCCNC(=O)NNCC 512a_100011217757_100000756455 [0,1,0,0,0,0|3,0,0]=4 4216 B13R0.66 CCCOCCNCC(=O)NCCF 2230a_100000725713_100011215938 [0,1,0,0,0,0|3,0,0]=4 4217 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [0,1,0,0,0,0|2,0,0]=3 4218 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [0,1,0,0,0,0|2,0,0]=3 4219 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,1,0,0,0,0|2,0,0]=3 4220 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,1,0,0,0,0|2,0,0]=3 4221 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [0,1,0,0,0,0|2,0,0]=3 4222 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [0,1,0,0,0,0|2,0,0]=3 4223 B13R0.66 CCNNC(=O)CCCCCCCO 22a_100000756455_100011219782 [0,1,0,0,0,0|2,0,0]=3 4224 B13R0.66 CCNNC(=O)NCCCCCCO 273464a_100000686447_100000756455 [0,1,0,0,0,0|3,0,0]=4 4225 B13R0.66 CCNNC(=O)NCCCCCCO 512a_100000686447_100000756455 [0,1,0,0,0,0|3,0,0]=4 4226 B13R0.66 CCNNC(=O)NCCCCCCO 512a_100000756455_100000686447 [0,1,0,0,0,0|3,0,0]=4 4227 B13R0.66 CCNNC(=O)NCCCCCOC 273464a_100000747528_100000756455 [0,1,0,0,0,0|3,0,0]=4 4228 B13R0.66 CCNNC(=O)NCCCCCOC 512a_100000747528_100000756455 [0,1,0,0,0,0|3,0,0]=4 4229 B13R0.66 CCNNC(=O)NCCCCCOC 512a_100000756455_100000747528 [0,1,0,0,0,0|3,0,0]=4 4230 B13R0.66 CCOCC(=O)CCCCCCC#N 1458a_100000211967_100009813337 [0,1,0,0,0,0|1,0,1]=3 4231 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,1,0,0,0,0|1,0,0]=2 4232 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,1,0,0,0,0|1,0,0]=2 4233 B13R0.66 CCOCC(=O)CCCOCCOC 1458a_100000211967_100011216529 [0,1,0,0,0,0|2,0,0]=3 4234 B13R0.66 CCOCC(=O)NCCCCCC#N 11a_100000061152_100000211967 [0,1,0,0,0,0|2,0,1]=4 4235 B13R0.66 CCOCC(=O)NCCCCCC#N 1626a_100000061152_100000211967 [0,1,0,0,0,0|2,0,1]=4 4236 B13R0.66 CCOCC(=O)NCCCCCC#N 240690a_100000061152_100000211967 [0,1,0,0,0,0|2,0,1]=4 4237 B13R0.66 CCOCC(=O)NCCCCCC#N 527a_100000061152_100000211967 [0,1,0,0,0,0|2,0,1]=4 4238 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,1,0,0,0,0|2,0,0]=3 4239 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,1,0,0,0,0|2,0,0]=3 4240 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [0,1,0,0,0,0|2,0,0]=3 4241 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [0,1,0,0,0,0|2,0,0]=3 4242 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [0,1,0,0,0,0|2,0,0]=3 4243 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [0,1,0,0,0,0|2,0,0]=3 4244 B13R0.66 CCOCC(=O)NCCOCCOC 11a_100000745349_100000211967 [0,1,0,0,0,0|3,0,0]=4 4245 B13R0.66 CCOCC(=O)NCCOCCOC 1626a_100000745349_100000211967 [0,1,0,0,0,0|3,0,0]=4 4246 B13R0.66 CCOCC(=O)NCCOCCOC 240690a_100000745349_100000211967 [0,1,0,0,0,0|3,0,0]=4 4247 B13R0.66 CCOCC(=O)NCCOCCOC 527a_100000745349_100000211967 [0,1,0,0,0,0|3,0,0]=4 4248 B13R0.66 CCOCCCNCC(=O)NCCF 2230a_100000725713_100012232248 [0,1,0,0,0,0|3,0,0]=4 4249 B13R0.66 CCOCCOCCC(=O)CCOC 1458a_100000749529_100011211534 [0,1,0,0,0,0|3,0,0]=4 4250 B13R0.66 CCOCCOCCC(=O)CCSC 1458a_100000174002_100011211534 [0,1,0,0,0,0|3,0,0]=4 4251 B13R0.66 CCOCCOCCC(=O)COCC 1458a_100000211967_100011211534 [0,1,0,0,0,0|2,0,0]=3 4252 B13R0.66 CCOCCOCCC(=O)CSCC 1458a_100000230394_100011211534 [0,1,0,0,0,0|2,1,0]=4 4253 B13R0.66 CCSCC(=O)CCCCCCC#N 1458a_100000230394_100009813337 [0,1,0,0,0,0|1,1,1]=4 4254 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [0,1,0,0,0,0|1,1,0]=3 4255 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [0,1,0,0,0,0|1,1,0]=3 4256 B13R0.66 CCSCC(=O)CCCOCCOC 1458a_100000230394_100011216529 [0,1,0,0,0,0|2,1,0]=4 4257 B13R0.66 CCSCC(=O)NCCCCCCO 240690a_100000686447_100000230394 [0,1,0,0,0,0|2,1,0]=4 4258 B13R0.66 CCSCC(=O)NCCCCCCO 527a_100000686447_100000230394 [0,1,0,0,0,0|2,1,0]=4 4259 B13R0.66 CCSCC(=O)NCCCCCOC 11a_100000747528_100000230394 [0,1,0,0,0,0|2,1,0]=4 4260 B13R0.66 CCSCC(=O)NCCCCCOC 1626a_100000747528_100000230394 [0,1,0,0,0,0|2,1,0]=4 4261 B13R0.66 CCSCC(=O)NCCCCCOC 240690a_100000747528_100000230394 [0,1,0,0,0,0|2,1,0]=4 4262 B13R0.66 CCSCC(=O)NCCCCCOC 527a_100000747528_100000230394 [0,1,0,0,0,0|2,1,0]=4 4263 B13R0.66 COC=CC(=O)CCCCCCCO 1458a_100016268678_100000760002 [0,1,0,0,0,0|2,0,1]=4 4264 B13R0.66 COC=CC(=O)CCCCCCOC 1458a_100016268678_100011998445 [0,1,0,0,0,0|2,0,1]=4 4265 B13R0.66 COCCC(=O)CCCCCCC#N 1458a_100000749529_100009813337 [0,1,0,0,0,0|2,0,1]=4 4266 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,1,0,0,0,0|2,0,0]=3 4267 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,1,0,0,0,0|2,0,0]=3 4268 B13R0.66 COCCC(=O)NCCCCCCO 240690a_100000686447_100000749529 [0,1,0,0,0,0|3,0,0]=4 4269 B13R0.66 COCCC(=O)NCCCCCCO 527a_100000686447_100000749529 [0,1,0,0,0,0|3,0,0]=4 4270 B13R0.66 COCCCCCCC(=O)C#CCO 1458a_100000049017_100011998445 [0,1,0,0,0,0|2,0,1]=4 4271 B13R0.66 COCCCCCCC(=O)CCC#N 1458a_100011934036_100011998445 [0,1,0,0,0,0|2,0,1]=4 4272 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,1,0,0,0,0|2,0,0]=3 4273 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [0,1,0,0,0,0|2,0,0]=3 4274 B13R0.66 COCCCCCNC(=O)CCOC 11a_100000747528_100000749529 [0,1,0,0,0,0|3,0,0]=4 4275 B13R0.66 COCCCCCNC(=O)CCOC 1626a_100000747528_100000749529 [0,1,0,0,0,0|3,0,0]=4 4276 B13R0.66 COCCCCCNC(=O)CCOC 240690a_100000747528_100000749529 [0,1,0,0,0,0|3,0,0]=4 4277 B13R0.66 COCCCCCNC(=O)CCOC 527a_100000747528_100000749529 [0,1,0,0,0,0|3,0,0]=4 4278 B13R0.66 COCCCCCNC(=O)CCSC 11a_100000747528_100000174002 [0,1,0,0,0,0|3,0,0]=4 4279 B13R0.66 COCCCCCNC(=O)CCSC 1626a_100000747528_100000174002 [0,1,0,0,0,0|3,0,0]=4 4280 B13R0.66 COCCCCCNC(=O)CCSC 240690a_100000747528_100000174002 [0,1,0,0,0,0|3,0,0]=4 4281 B13R0.66 COCCCCCNC(=O)CCSC 527a_100000747528_100000174002 [0,1,0,0,0,0|3,0,0]=4 4282 B13R0.66 COCCCCCNC(=O)NCCF 2708a_100000747528_100000724931 [0,1,0,0,0,0|3,0,0]=4 4283 B13R0.66 COCCCCCNC(=O)NCCF 273464a_100000724931_100000747528 [0,1,0,0,0,0|3,0,0]=4 4284 B13R0.66 COCCCCCNC(=O)NCCF 273464a_100000747528_100000724931 [0,1,0,0,0,0|3,0,0]=4 4285 B13R0.66 COCCCCCNC(=O)NCCF 512a_100000747528_100000724931 [0,1,0,0,0,0|3,0,0]=4 4286 B13R0.66 COCCCCCNC(=O)NCCO 2708a_100000747528_100000210304 [0,1,0,0,0,0|3,0,0]=4 4287 B13R0.66 COCCCCCNC(=O)NCCO 273464a_100000210304_100000747528 [0,1,0,0,0,0|3,0,0]=4 4288 B13R0.66 COCCCCCNC(=O)NCCO 273464a_100000747528_100000210304 [0,1,0,0,0,0|3,0,0]=4 4289 B13R0.66 COCCCCCNC(=O)NCCO 512a_100000747528_100000210304 [0,1,0,0,0,0|3,0,0]=4 4290 B13R0.66 COCCCCNCC(=O)NCCF 2230a_100000725713_100000730899 [0,1,0,0,0,0|3,0,0]=4 4291 B13R0.66 COCCOCCCC(=O)CCOC 1458a_100000749529_100011216529 [0,1,0,0,0,0|3,0,0]=4 4292 B13R0.66 COCCOCCCC(=O)CCSC 1458a_100000174002_100011216529 [0,1,0,0,0,0|3,0,0]=4 4293 B13R0.66 CSCCC(=O)CCCCCCC#N 1458a_100000174002_100009813337 [0,1,0,0,0,0|2,0,1]=4 4294 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [0,1,0,0,0,0|2,0,0]=3 4295 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [0,1,0,0,0,0|2,0,0]=3 4296 B13R0.66 CSCCC(=O)NCCCCCCO 240690a_100000686447_100000174002 [0,1,0,0,0,0|3,0,0]=4 4297 B13R0.66 CSCCC(=O)NCCCCCCO 527a_100000686447_100000174002 [0,1,0,0,0,0|3,0,0]=4 4298 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011219782_100011215226 [0,1,0,0,0,0|2,0,1]=4 4299 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011934036_100000760002 [0,1,0,0,0,0|2,0,1]=4 4300 B13R0.66 O=C(C#CCO)CCCCCCCO 1458a_100000049017_100000760002 [0,1,0,0,0,0|2,0,1]=4 4301 B13R0.66 O=C(CCCCCCCO)NCCF 240690a_100000724931_100011219782 [0,1,0,0,0,0|2,0,0]=3 4302 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [0,1,0,0,0,0|2,0,0]=3 4303 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [0,1,0,0,0,0|2,0,0]=3 4304 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,1,0,0,0,0|2,0,0]=3 4305 B13R0.66 O=C(CNCCCCCF)NCCF 2230a_100000725713_100000729378 [0,1,0,0,0,0|3,0,0]=4 4306 B13R0.66 O=C(CNCCCCCO)NCCF 2230a_100000725713_100000746330 [0,1,0,0,0,0|3,0,0]=4 4307 B13R0.66 O=C(NCCF)NCCCCCCO 273464a_100000686447_100000724931 [0,1,0,0,0,0|3,0,0]=4 4308 B13R0.66 O=C(NCCF)NCCCCCCO 273464a_100000724931_100000686447 [0,1,0,0,0,0|3,0,0]=4 4309 B13R0.66 O=C(NCCF)NCCCCCCO 512a_100000686447_100000724931 [0,1,0,0,0,0|3,0,0]=4 4310 B13R0.66 O=C(NCCO)NCCCCCCO 273464a_100000210304_100000686447 [0,1,0,0,0,0|3,0,0]=4 4311 B13R0.66 O=C(NCCO)NCCCCCCO 273464a_100000686447_100000210304 [0,1,0,0,0,0|3,0,0]=4 4312 B13R0.66 O=C(NCCO)NCCCCCCO 512a_100000686447_100000210304 [0,1,0,0,0,0|3,0,0]=4 4313 B13R0.87 C#CC(=O)CCCCCC(=O)OCC 1458a_100000211873_100000755133 [0,1,0,0,0,0|0,0,3]=4 4314 B13R0.87 C#CC(C)NCCCCC(=O)OCC 2230a_100000707721_100000750268 [0,1,0,0,0,0|1,0,2]=4 4315 B13R0.87 C#CC(C)NCCCCC(=O)OCC 34a_100000707721_100000750268 [0,1,0,0,0,0|1,0,2]=4 4316 B13R0.87 C#CC(C)SCCCCC(=O)OCC 62a_200000035995_100000750268 [0,1,0,0,0,0|1,0,2]=4 4317 B13R0.87 C#CC(O)CCCCCC(=O)CCC 1458a_100000211992_200010408556 [0,1,0,0,0,0|1,0,2]=4 4318 B13R0.87 C#C[C@@H](C)OCCCCC(=O)OCC 34a_100009815206_100000750268 [0,1,0,0,0,0|1,0,2]=4 4319 B13R0.87 C#C[C@@H](C)OCCCCC(=O)OCC 7a_100009815206_100000750268 [0,1,0,0,0,0|1,0,2]=4 4320 B13R0.87 C=CC(=O)CCCCCC(=O)OCC 1458a_100000185746_100000755133 [0,1,0,0,0,0|0,0,3]=4 4321 B13R0.87 C=CC(C)COCCCC(=O)OCC 34a_100011215527_100009991533 [0,1,0,0,0,0|1,0,2]=4 4322 B13R0.87 C=CC(C)COCCCC(=O)OCC 7a_100011215527_100011215271 [0,1,0,0,0,0|1,0,2]=4 4323 B13R0.87 C=CC(C)OCCCCC(=O)OCC 34a_100000695699_100000750268 [0,1,0,0,0,0|1,0,2]=4 4324 B13R0.87 C=CC(C)SCCCCC(=O)OCC 62a_100011215867_100000750268 [0,1,0,0,0,0|1,0,2]=4 4325 B13R0.87 C=CC(O)COCCCC(=O)OCC 7a_100012001163_100000730141 [0,1,0,0,0,0|1,0,2]=4 4326 B13R0.87 C=CC(O)CSCCCC(=O)OCC 62a_100000730141_100009991533 [0,1,0,0,0,0|1,0,2]=4 4327 B13R0.87 C=CC(O)CSCCCC(=O)OCC 62a_100009991533_100000730141 [0,1,0,0,0,0|1,0,2]=4 4328 B13R0.87 C=C[C@H](N)COCCCC(=O)OCC 34a_100016989147_100009991533 [0,1,0,0,0,0|1,0,2]=4 4329 B13R0.87 CCC(C)CCCOCC(=O)NCO 7a_100011216074_100000185155 [0,1,0,0,0,0|3,0,0]=4 4330 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,1,0,0,0,0|2,0,1]=4 4331 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,1,0,0,0,0|2,0,1]=4 4332 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [0,1,0,0,0,0|2,0,0]=3 4333 B13R0.87 CCCC(=O)CSCCCN(C)CC 62a_100000747444_100015186262 [0,1,0,0,0,0|3,0,0]=4 4334 B13R0.87 CCCC(=O)OCNCCC(C)CC 2230a_100020591266_100000034017 [0,1,0,0,0,0|3,0,0]=4 4335 B13R0.87 CCNC(=O)CCCCCC(=O)OC 11a_100015525214_100009848860 [0,1,0,0,0,0|2,0,1]=4 4336 B13R0.87 CCNC(=O)CCCCCC(=O)OC 240690a_100015525214_100009848860 [0,1,0,0,0,0|2,0,1]=4 4337 B13R0.87 CCNC(=O)CCNCCC(C)CC 2230a_100020591266_100000737597 [0,1,0,0,0,0|2,0,0]=3 4338 B13R0.87 CCNC(=O)CCNCCC(C)CO 2230a_106354213184_100000737597 [0,1,0,0,0,0|3,0,0]=4 4339 B13R0.87 CCNC(=O)CCOCCC(C)CC 7a_100011215188_100000737597 [0,1,0,0,0,0|2,0,0]=3 4340 B13R0.87 CCNC(=O)CCOCCC(C)OC 7a_100000764861_100000737597 [0,1,0,0,0,0|3,0,0]=4 4341 B13R0.87 CCNC(=O)CNCCCN(C)CC 2230a_100016988866_100015186262 [0,1,0,0,0,0|3,0,0]=4 4342 B13R0.87 CCNC(=O)COCCCC(C)CC 7a_100011216074_100000183381 [0,1,0,0,0,0|2,0,0]=3 4343 B13R0.87 CCNC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000183381 [0,1,0,0,0,0|3,0,0]=4 4344 B13R0.87 CCNC(=O)CSCCCN(C)CC 62a_100000183381_100015186262 [0,1,0,0,0,0|3,0,0]=4 4345 B13R0.87 CCOC(=O)/C=C/CNCC(C)CC 2230a_100020588543_100016267167 [0,1,0,0,0,0|1,0,2]=4 4346 B13R0.87 CCOC(=O)/C=C/CNCC(O)CC 2230a_100011218483_100016267167 [0,1,0,0,0,0|1,0,2]=4 4347 B13R0.87 CCOC(=O)/C=C/COC[C@@H](C)CC 7a_100009816381_100016267167 [0,1,0,0,0,0|1,0,2]=4 4348 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100000748023_100016267167 [0,1,0,0,0,0|1,0,2]=4 4349 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100016267167_100000748023 [0,1,0,0,0,0|1,0,2]=4 4350 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100011218378_100016267167 [0,1,0,0,0,0|1,0,2]=4 4351 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100016267167_100011218378 [0,1,0,0,0,0|1,0,2]=4 4352 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100009816398_100016267167 [0,1,0,0,0,0|1,0,2]=4 4353 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100016267167_100009816398 [0,1,0,0,0,0|1,0,2]=4 4354 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,1,0,0,0,0|0,0,1]=2 4355 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,1,0,0,0,0|0,0,1]=2 4356 B13R0.87 CCOC(=O)CCCCCC(=O)CF 1458a_100000037472_100015361967 [0,1,0,0,0,0|1,0,1]=3 4357 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [0,1,0,0,0,0|1,0,1]=3 4358 B13R0.87 CCOC(=O)CCCCCC(=O)NC 11a_106832991635_100000037472 [0,1,0,0,0,0|1,0,1]=3 4359 B13R0.87 CCOC(=O)CCCCCC(=O)NC 1626a_100102657272_100000037472 [0,1,0,0,0,0|1,0,1]=3 4360 B13R0.87 CCOC(=O)CCCCCC(=O)NC 240690a_100102657272_100000037472 [0,1,0,0,0,0|1,0,1]=3 4361 B13R0.87 CCOC(=O)CCCCCC(=O)NC 527a_100102657272_100000037472 [0,1,0,0,0,0|1,0,1]=3 4362 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [0,1,0,0,0,0|1,0,0]=2 4363 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [0,1,0,0,0,0|1,0,0]=2 4364 B13R0.87 CCOC(=O)CCCCNC(=O)CC 188690a_100000718961_100000210414 [0,1,0,0,0,0|1,0,1]=3 4365 B13R0.87 CCOC(=O)CCCCNC(=O)CO 188690a_100000718961_100000210174 [0,1,0,0,0,0|2,0,1]=4 4366 B13R0.87 CCOC(=O)CCCCNC(C)C#N 2230a_100000737613_100000750268 [0,1,0,0,0,0|2,0,1]=4 4367 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [0,1,0,0,0,0|1,0,0]=2 4368 B13R0.87 CCOC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000750268 [0,1,0,0,0,0|2,0,0]=3 4369 B13R0.87 CCOC(=O)CCCCOC(C)C#N 34a_100011218135_100000750268 [0,1,0,0,0,0|2,0,1]=4 4370 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [0,1,0,0,0,0|1,0,0]=2 4371 B13R0.87 CCOC(=O)CCCCOC(C)CF 34a_100016041109_100000750268 [0,1,0,0,0,0|2,0,0]=3 4372 B13R0.87 CCOC(=O)CCCCOC(C)CF 7a_100016041109_100000750268 [0,1,0,0,0,0|2,0,0]=3 4373 B13R0.87 CCOC(=O)CCCCOC(C)CN 34a_100000210904_100000750268 [0,1,0,0,0,0|2,0,0]=3 4374 B13R0.87 CCOC(=O)CCCCSC(C)C#N 62a_100000703298_100000750268 [0,1,0,0,0,0|2,0,1]=4 4375 B13R0.87 CCOC(=O)CCCCSC(C)C#N 62a_100000750268_100000703298 [0,1,0,0,0,0|2,0,1]=4 4376 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [0,1,0,0,0,0|1,0,0]=2 4377 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [0,1,0,0,0,0|1,0,0]=2 4378 B13R0.87 CCOC(=O)CCCCSC(C)CO 62a_100012180447_100000750268 [0,1,0,0,0,0|2,0,0]=3 4379 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100000750268_100009879195 [0,1,0,0,0,0|2,0,0]=3 4380 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100009879195_100000750268 [0,1,0,0,0,0|2,0,0]=3 4381 B13R0.87 CCOC(=O)CCCCSC(F)C#N 62a_100000750268_200000117898 [0,1,0,0,0,0|2,0,1]=4 4382 B13R0.87 CCOC(=O)CCCCSC(F)C#N 62a_200000117898_100000750268 [0,1,0,0,0,0|2,0,1]=4 4383 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100000750268_100016084084 [0,1,0,0,0,0|2,0,0]=3 4384 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000750268 [0,1,0,0,0,0|2,0,0]=3 4385 B13R0.87 CCOC(=O)CCCNCC(=O)NC 2230a_100000693194_100009991533 [0,1,0,0,0,0|2,0,1]=4 4386 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [0,1,0,0,0,0|1,0,0]=2 4387 B13R0.87 CCOC(=O)CCCNCC(C)CO 34a_100000744482_100009991533 [0,1,0,0,0,0|2,0,0]=3 4388 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [0,1,0,0,0,0|1,0,0]=2 4389 B13R0.87 CCOC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100009991533 [0,1,0,0,0,0|2,0,0]=3 4390 B13R0.87 CCOC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100009991533 [0,1,0,0,0,0|2,0,0]=3 4391 B13R0.87 CCOC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100009991533 [0,1,0,0,0,0|2,0,0]=3 4392 B13R0.87 CCOC(=O)CCCOCC(=O)CC 34a_100000725409_100009991533 [0,1,0,0,0,0|1,0,1]=3 4393 B13R0.87 CCOC(=O)CCCOCC(=O)CC 7a_100012001163_100000747405 [0,1,0,0,0,0|1,0,1]=3 4394 B13R0.87 CCOC(=O)CCCOCC(=O)NC 34a_100000750040_100009991533 [0,1,0,0,0,0|2,0,1]=4 4395 B13R0.87 CCOC(=O)CCCOCC(=O)NC 7a_100012001163_100000183359 [0,1,0,0,0,0|2,0,1]=4 4396 B13R0.87 CCOC(=O)CCCOCC(=O)OC 7a_100012001163_100000747449 [0,1,0,0,0,0|2,0,1]=4 4397 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [0,1,0,0,0,0|1,0,0]=2 4398 B13R0.87 CCOC(=O)CCCOCC(C)CN 34a_100000744482_100009991533 [0,1,0,0,0,0|2,0,0]=3 4399 B13R0.87 CCOC(=O)CCCOCC(C)OC 34a_100000690652_100009991533 [0,1,0,0,0,0|2,0,0]=3 4400 B13R0.87 CCOC(=O)CCCOCC(Cl)CCl 34a_100000033668_100009991533 [0,1,0,0,0,0|2,0,0]=3 4401 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [0,1,0,0,0,0|1,0,0]=2 4402 B13R0.87 CCOC(=O)CCCOCC(O)CO 7a_100012001163_100011219619 [0,1,0,0,0,0|2,0,0]=3 4403 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [0,1,0,0,0,0|1,0,0]=2 4404 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [0,1,0,0,0,0|1,0,0]=2 4405 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CO 7a_100012001163_100000059175 [0,1,0,0,0,0|2,0,0]=3 4406 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CF 7a_100012001163_100015614560 [0,1,0,0,0,0|2,0,0]=3 4407 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CO 7a_100012001163_100009815848 [0,1,0,0,0,0|2,0,0]=3 4408 B13R0.87 CCOC(=O)CCCOC[C@H](F)CN 34a_100015665980_100009991533 [0,1,0,0,0,0|2,0,0]=3 4409 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100000747405_100009991533 [0,1,0,0,0,0|1,0,1]=3 4410 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100009991533_100000747405 [0,1,0,0,0,0|1,0,1]=3 4411 B13R0.87 CCOC(=O)CCCSCC(=O)NC 62a_100000183359_100009991533 [0,1,0,0,0,0|2,0,1]=4 4412 B13R0.87 CCOC(=O)CCCSCC(=O)NC 62a_100009991533_100000183359 [0,1,0,0,0,0|2,0,1]=4 4413 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100000747449_100009991533 [0,1,0,0,0,0|2,0,1]=4 4414 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100009991533_100000747449 [0,1,0,0,0,0|2,0,1]=4 4415 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [0,1,0,0,0,0|1,0,0]=2 4416 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [0,1,0,0,0,0|1,0,0]=2 4417 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [0,1,0,0,0,0|1,0,0]=2 4418 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [0,1,0,0,0,0|1,0,0]=2 4419 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100009991533_100011219619 [0,1,0,0,0,0|2,0,0]=3 4420 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100011219619_100009991533 [0,1,0,0,0,0|2,0,0]=3 4421 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [0,1,0,0,0,0|1,0,0]=2 4422 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [0,1,0,0,0,0|1,0,0]=2 4423 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100009991533 [0,1,0,0,0,0|2,0,0]=3 4424 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100009991533_100000059175 [0,1,0,0,0,0|2,0,0]=3 4425 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100009991533_100015614560 [0,1,0,0,0,0|2,0,0]=3 4426 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100009991533 [0,1,0,0,0,0|2,0,0]=3 4427 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100009991533 [0,1,0,0,0,0|2,0,0]=3 4428 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009991533_100009815848 [0,1,0,0,0,0|2,0,0]=3 4429 B13R0.87 CCOC(=O)CCNCCC(=O)NC 2230a_100000738227_100011206558 [0,1,0,0,0,0|2,0,1]=4 4430 B13R0.87 CCOC(=O)CCNCCC(=O)NC 34a_100000738227_100000765890 [0,1,0,0,0,0|2,0,1]=4 4431 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [0,1,0,0,0,0|1,0,0]=2 4432 B13R0.87 CCOC(=O)CCNCCC(C)CO 2230a_106354213184_100011206558 [0,1,0,0,0,0|2,0,0]=3 4433 B13R0.87 CCOC(=O)CCNCCC(C)CO 34a_106354213184_100000765890 [0,1,0,0,0,0|2,0,0]=3 4434 B13R0.87 CCOC(=O)CCOCCC(=O)NC 34a_100000754576_100000765890 [0,1,0,0,0,0|2,0,1]=4 4435 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [0,1,0,0,0,0|1,0,0]=2 4436 B13R0.87 CCOC(=O)CCOCCC(C)OC 7a_100000764861_100011206558 [0,1,0,0,0,0|2,0,0]=3 4437 B13R0.87 CCOC(=O)CCSCCC(=O)NC 62a_100000737683_100000765890 [0,1,0,0,0,0|2,0,1]=4 4438 B13R0.87 CCOC(=O)CCSCCC(=O)NC 62a_100000765890_100000737683 [0,1,0,0,0,0|2,0,1]=4 4439 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000204255_100000765890 [0,1,0,0,0,0|2,0,1]=4 4440 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000765890_100000204255 [0,1,0,0,0,0|2,0,1]=4 4441 B13R0.87 CCOC(=O)CNCCCC(=O)NC 2230a_100000740002_100000188475 [0,1,0,0,0,0|2,0,1]=4 4442 B13R0.87 CCOC(=O)CNCCCC(=O)NC 34a_100000740002_100000188475 [0,1,0,0,0,0|2,0,1]=4 4443 B13R0.87 CCOC(=O)CNCCNC(=O)CC 34a_100132302217_100000188475 [0,1,0,0,0,0|2,0,1]=4 4444 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,1,0,0,0,0|1,0,1]=3 4445 B13R0.87 CCOC(=O)COCCCC(=O)CO 1458a_100000210174_100009893628 [0,1,0,0,0,0|2,0,1]=4 4446 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [0,1,0,0,0,0|1,0,0]=2 4447 B13R0.87 CCOC(=O)COCCCN(C)CC 2230a_100000225621_100009893628 [0,1,0,0,0,0|2,0,0]=3 4448 B13R0.87 CCOC(=O)COCCCN(C)CC 269982a_100000225621_100009893628 [0,1,0,0,0,0|2,0,0]=3 4449 B13R0.87 CCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000188475 [0,1,0,0,0,0|2,0,0]=3 4450 B13R0.87 CCOC(=O)COCCNC(=O)CC 34a_200000158885_100000188475 [0,1,0,0,0,0|2,0,1]=4 4451 B13R0.87 CCOC(=O)COCCNC(=O)CC 7a_200000158885_100000188475 [0,1,0,0,0,0|2,0,1]=4 4452 B13R0.87 CCOC(=O)COCCNC(C)CC 2230a_100000209981_100000088970 [0,1,0,0,0,0|2,0,0]=3 4453 B13R0.87 CCOC(=O)COCCN[C@H](C)CO 2230a_100000737577_100000088970 [0,1,0,0,0,0|3,0,0]=4 4454 B13R0.87 CCOC(=O)COCCOC(=O)CC 7a_200000031056_100000188475 [0,1,0,0,0,0|2,0,1]=4 4455 B13R0.87 CCOC(=O)COCCOC(C)CC 7a_100000210228_100000088970 [0,1,0,0,0,0|2,0,0]=3 4456 B13R0.87 CCOC(=O)COCCOC(C)CF 34a_100016041109_100000088970 [0,1,0,0,0,0|3,0,0]=4 4457 B13R0.87 CCOC(=O)COCCOC(C)CF 7a_100016041109_100000088970 [0,1,0,0,0,0|3,0,0]=4 4458 B13R0.87 CCOC(=O)COCCOC(C)CN 34a_100000210904_100000088970 [0,1,0,0,0,0|3,0,0]=4 4459 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000088970_100000758301 [0,1,0,0,0,0|2,0,0]=3 4460 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000758301_100000088970 [0,1,0,0,0,0|2,0,0]=3 4461 B13R0.87 CCOC(=O)COCCSC(C)CO 62a_100012180447_100000088970 [0,1,0,0,0,0|3,0,0]=4 4462 B13R0.87 CCOC(=O)COCCSC(C)OC 62a_100000088970_100009879195 [0,1,0,0,0,0|3,0,0]=4 4463 B13R0.87 CCOC(=O)COCCSC(C)OC 62a_100009879195_100000088970 [0,1,0,0,0,0|3,0,0]=4 4464 B13R0.87 CCOC(=O)COCCS[C@H](C)CO 62a_100000088970_100016084084 [0,1,0,0,0,0|3,0,0]=4 4465 B13R0.87 CCOC(=O)COCCS[C@H](C)CO 62a_100016084084_100000088970 [0,1,0,0,0,0|3,0,0]=4 4466 B13R0.87 CCOC(=O)CSCCCC(=O)NC 62a_100000188475_100000741757 [0,1,0,0,0,0|2,0,1]=4 4467 B13R0.87 CCOC(=O)CSCCCC(=O)NC 62a_100000741757_100000188475 [0,1,0,0,0,0|2,0,1]=4 4468 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100000188475_100011218270 [0,1,0,0,0,0|2,0,1]=4 4469 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100011218270_100000188475 [0,1,0,0,0,0|2,0,1]=4 4470 B13R0.87 CCOC(=O)CSCCCN(C)CC 62a_100000188475_100015186262 [0,1,0,0,0,0|2,0,0]=3 4471 B13R0.87 CCOC(=O)CSCCOC(C)CC 7a_200000230590_100000758301 [0,1,0,0,0,0|2,0,0]=3 4472 B13R0.87 CCOC(=O)CSCCOC(C)CO 7a_200000230590_100012180447 [0,1,0,0,0,0|3,0,0]=4 4473 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [0,1,0,0,0,0|2,0,0]=3 4474 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [0,1,0,0,0,0|2,0,0]=3 4475 B13R0.87 CCOC(=O)NCCOCC(O)CO 34a_100000158857_100011219619 [0,1,0,0,0,0|3,0,0]=4 4476 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [0,1,0,0,0,0|2,0,0]=3 4477 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [0,1,0,0,0,0|2,0,0]=3 4478 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CO 34a_100000158857_100000059175 [0,1,0,0,0,0|3,0,0]=4 4479 B13R0.87 CCOC(=O)NCCOC[C@@H](O)CF 34a_100000158857_100015614560 [0,1,0,0,0,0|3,0,0]=4 4480 B13R0.87 CCOC(=O)NCCOC[C@@H](O)CO 34a_100000158857_100009815848 [0,1,0,0,0,0|3,0,0]=4 4481 B13R0.87 CCOC(=O)NCCSCC(=O)CC 62a_100000747405_200011445536 [0,1,0,0,0,0|2,0,1]=4 4482 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [0,1,0,0,0,0|2,0,0]=3 4483 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [0,1,0,0,0,0|2,0,0]=3 4484 B13R0.87 CCOC(=O)NCCSCC(O)CO 62a_100011219619_200011445536 [0,1,0,0,0,0|3,0,0]=4 4485 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [0,1,0,0,0,0|2,0,0]=3 4486 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CO 62a_100000059175_200011445536 [0,1,0,0,0,0|3,0,0]=4 4487 B13R0.87 CCOC(=O)NCCSC[C@@H](O)CF 62a_100015614560_200011445536 [0,1,0,0,0,0|3,0,0]=4 4488 B13R0.87 CCOC(=O)NCCSC[C@@H](O)CO 62a_100009815848_200011445536 [0,1,0,0,0,0|3,0,0]=4 4489 B13R0.88 C#CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000184674 [0,1,0,0,0,0|1,0,2]=4 4490 B13R0.88 C=C(Br)CCOCCCC(=O)OCC 34a_100009813270_100009991533 [0,1,0,0,0,0|1,0,2]=4 4491 B13R0.88 C=C(C)CCOCCCC(=O)OCC 34a_100000764851_100009991533 [0,1,0,0,0,0|1,0,1]=3 4492 B13R0.88 C=C(C)CCOCCCC(=O)OCC 7a_100012001163_100000730704 [0,1,0,0,0,0|1,0,1]=3 4493 B13R0.88 C=C(C)CCOCCNC(=O)OCC 34a_100000158857_100000730704 [0,1,0,0,0,0|2,0,1]=4 4494 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100000730704_100009991533 [0,1,0,0,0,0|1,0,1]=3 4495 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100009991533_100000730704 [0,1,0,0,0,0|1,0,1]=3 4496 B13R0.88 C=C(C)CCSCCNC(=O)OCC 62a_100000730704_200011445536 [0,1,0,0,0,0|2,0,1]=4 4497 B13R0.88 C=C(C)COCCCCC(=O)OCC 34a_100000210245_100000750268 [0,1,0,0,0,0|1,0,1]=3 4498 B13R0.88 C=C(C)COCCOCC(=O)OCC 34a_100000210245_100000088970 [0,1,0,0,0,0|2,0,1]=4 4499 B13R0.88 C=C(C)COCCSCC(=O)OCC 7a_200000230590_100000748629 [0,1,0,0,0,0|2,0,1]=4 4500 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000748629_100000750268 [0,1,0,0,0,0|1,0,1]=3 4501 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000750268_100000211660 [0,1,0,0,0,0|1,0,1]=3 4502 B13R0.88 C=C(C)CSCCOCC(=O)OCC 62a_100000088970_100000211660 [0,1,0,0,0,0|2,0,1]=4 4503 B13R0.88 C=C(C)CSCCOCC(=O)OCC 62a_100000748629_100000088970 [0,1,0,0,0,0|2,0,1]=4 4504 B13R0.88 C=C(F)COCCCCC(=O)OCC 34a_200010262243_100000750268 [0,1,0,0,0,0|1,0,2]=4 4505 B13R0.88 C=C(F)CSCCCCC(=O)OCC 62a_100000042424_100000750268 [0,1,0,0,0,0|1,0,2]=4 4506 B13R0.88 C=C(F)CSCCCCC(=O)OCC 62a_100000750268_100000042424 [0,1,0,0,0,0|1,0,2]=4 4507 B13R0.88 C=CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210623 [0,1,0,0,0,0|1,0,2]=4 4508 B13R0.88 C=COC(=O)COCCCCC(C)C 34a_100011214890_100000036128 [0,1,0,0,0,0|1,0,2]=4 4509 B13R0.88 C=COC(=O)CSCCCCC(C)C 62a_100000036128_100011216152 [0,1,0,0,0,0|1,0,2]=4 4510 B13R0.88 C=COC(=O)CSCCCCC(C)C 62a_100011216152_100000036128 [0,1,0,0,0,0|1,0,2]=4 4511 B13R0.88 CC(C)CCCCCCC(=O)CC#N 1458a_100000040743_100011214920 [0,1,0,0,0,0|2,0,1]=4 4512 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [0,1,0,0,0,0|2,0,0]=3 4513 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [0,1,0,0,0,0|2,0,0]=3 4514 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [0,1,0,0,0,0|3,0,0]=4 4515 B13R0.88 CC(C)CCCCOCC(=O)NCO 34a_100011214890_100000185155 [0,1,0,0,0,0|3,0,0]=4 4516 B13R0.88 CC(C)CCCCOCC(=O)NCO 7a_100011214890_100000185155 [0,1,0,0,0,0|3,0,0]=4 4517 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100000185155_100011216152 [0,1,0,0,0,0|3,0,0]=4 4518 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100011216152_100000185155 [0,1,0,0,0,0|3,0,0]=4 4519 B13R0.88 CC=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000210699 [0,1,0,0,0,0|2,0,1]=4 4520 B13R0.88 CC=CC(=O)NCCCCCC(C)C 240690a_100011290863_100000210699 [0,1,0,0,0,0|2,0,1]=4 4521 B13R0.88 CCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210303 [0,1,0,0,0,0|1,0,2]=4 4522 B13R0.88 CCCC(=O)CCCCCCB(O)O 1458a_100000211992_100009817187 [0,1,0,0,0,0|3,0,0]=4 4523 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,1,0,0,0,0|1,0,0]=2 4524 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,1,0,0,0,0|2,0,1]=4 4525 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,1,0,0,0,0|2,0,1]=4 4526 B13R0.88 CCCC(=O)CNCCCOC(C)C 2230a_100000737246_100000747444 [0,1,0,0,0,0|3,0,0]=4 4527 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [0,1,0,0,0,0|2,0,0]=3 4528 B13R0.88 CCCC(=O)COCCOCC(C)C 7a_100000703358_100000747444 [0,1,0,0,0,0|3,0,0]=4 4529 B13R0.88 CCCC(=O)COCCSCC(C)C 7a_200000230437_100000747444 [0,1,0,0,0,0|3,0,0]=4 4530 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,1,0,0,0,0|2,0,1]=4 4531 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,1,0,0,0,0|2,0,1]=4 4532 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [0,1,0,0,0,0|2,0,0]=3 4533 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [0,1,0,0,0,0|2,0,0]=3 4534 B13R0.88 CCCC(=O)CSCCCCN(C)C 62a_100000747444_100000690147 [0,1,0,0,0,0|3,0,0]=4 4535 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [0,1,0,0,0,0|2,0,0]=3 4536 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [0,1,0,0,0,0|2,0,0]=3 4537 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [0,1,0,0,0,0|2,0,0]=3 4538 B13R0.88 CCCC(=O)NCCCCCN(C)C 240690a_100020635752_100000211992 [0,1,0,0,0,0|3,0,0]=4 4539 B13R0.88 CCCC(=O)NCCCOCC(C)C 11a_100000205972_100000211992 [0,1,0,0,0,0|3,0,0]=4 4540 B13R0.88 CCCC(=O)NCCCOCC(C)C 1626a_100000205972_100000211992 [0,1,0,0,0,0|3,0,0]=4 4541 B13R0.88 CCCC(=O)NCCCOCC(C)C 240690a_100000205972_100000211992 [0,1,0,0,0,0|3,0,0]=4 4542 B13R0.88 CCCC(=O)NCCCOCC(C)C 527a_100000205972_100000211992 [0,1,0,0,0,0|3,0,0]=4 4543 B13R0.88 CCCC(=O)OCNCCCC(C)C 2230a_200000737386_100000034017 [0,1,0,0,0,0|3,0,0]=4 4544 B13R0.88 CCCC(=O)OCNCCCC(C)C 34a_200000737386_100000034017 [0,1,0,0,0,0|3,0,0]=4 4545 B13R0.88 CCCC(=O)OCOCCCC(C)C 34a_100000210774_100000034017 [0,1,0,0,0,0|3,0,0]=4 4546 B13R0.88 CCCC(=O)OCSCCCC(C)C 62a_100011214892_100000034017 [0,1,0,0,0,0|3,0,0]=4 4547 B13R0.88 CCCC(=O)OCSCCCC(C)O 62a_200000718107_100000034017 [0,1,0,0,0,0|3,0,0]=4 4548 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 11a_100015525214_200016995844 [0,1,0,0,0,0|1,0,2]=4 4549 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 240690a_100015525214_200016995844 [0,1,0,0,0,0|1,0,2]=4 4550 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 527a_100015525214_200016995844 [0,1,0,0,0,0|1,0,2]=4 4551 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [0,1,0,0,0,0|1,0,0]=2 4552 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [0,1,0,0,0,0|1,0,0]=2 4553 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [0,1,0,0,0,0|1,0,0]=2 4554 B13R0.88 CCNC(=O)CCCCCNC(=O)C 11a_100015525214_100000183861 [0,1,0,0,0,0|2,0,1]=4 4555 B13R0.88 CCNC(=O)CCCCCNC(=O)C 240690a_100015525214_100000183861 [0,1,0,0,0,0|2,0,1]=4 4556 B13R0.88 CCNC(=O)CCNCCCC(=O)C 34a_100025743525_100000685027 [0,1,0,0,0,0|2,0,1]=4 4557 B13R0.88 CCNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737597 [0,1,0,0,0,0|2,0,0]=3 4558 B13R0.88 CCNC(=O)CCNCCCC(C)C 34a_100025743525_100011214892 [0,1,0,0,0,0|2,0,0]=3 4559 B13R0.88 CCNC(=O)CCNCCCC(C)O 34a_100025743525_200000718107 [0,1,0,0,0,0|2,0,0]=3 4560 B13R0.88 CCNC(=O)CCNCCCS(=O)C 2230a_200000753449_100000737597 [0,1,0,0,0,0|3,0,0]=4 4561 B13R0.88 CCNC(=O)CCNCCOC(C)C 2230a_100000701111_100000737597 [0,1,0,0,0,0|3,0,0]=4 4562 B13R0.88 CCNC(=O)CCNCCOC(C)C 34a_100025743525_100000211751 [0,1,0,0,0,0|3,0,0]=4 4563 B13R0.88 CCNC(=O)CCNCCSC(C)C 2230a_100000731138_100000737597 [0,1,0,0,0,0|3,0,0]=4 4564 B13R0.88 CCNC(=O)CCNCCSC(C)C 34a_100025743525_100000730970 [0,1,0,0,0,0|3,0,0]=4 4565 B13R0.88 CCNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737597 [0,1,0,0,0,0|2,0,1]=4 4566 B13R0.88 CCNC(=O)CCOCCCC(C)C 7a_100000210774_100000737597 [0,1,0,0,0,0|2,0,0]=3 4567 B13R0.88 CCNC(=O)CCOCCOC(C)C 7a_100000211219_100000737597 [0,1,0,0,0,0|3,0,0]=4 4568 B13R0.88 CCNC(=O)CCOCCSC(C)C 7a_200011212901_100000737597 [0,1,0,0,0,0|3,0,0]=4 4569 B13R0.88 CCNC(=O)CCSCCCC(=O)C 62a_100000737597_100011215641 [0,1,0,0,0,0|2,0,1]=4 4570 B13R0.88 CCNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737597 [0,1,0,0,0,0|2,0,1]=4 4571 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100000737597_100011214892 [0,1,0,0,0,0|2,0,0]=3 4572 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100011214892_100000737597 [0,1,0,0,0,0|2,0,0]=3 4573 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_100000737597_200000718107 [0,1,0,0,0,0|2,0,0]=3 4574 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_200000718107_100000737597 [0,1,0,0,0,0|2,0,0]=3 4575 B13R0.88 CCNC(=O)CCSCCCN(C)C 62a_100000737597_100000757444 [0,1,0,0,0,0|3,0,0]=4 4576 B13R0.88 CCNC(=O)CCSCCOC(C)C 62a_100000211751_100000737597 [0,1,0,0,0,0|3,0,0]=4 4577 B13R0.88 CCNC(=O)CCSCCOC(C)C 62a_100000737597_100000211751 [0,1,0,0,0,0|3,0,0]=4 4578 B13R0.88 CCNC(=O)CCSCCSC(C)C 62a_100000730970_100000737597 [0,1,0,0,0,0|3,0,0]=4 4579 B13R0.88 CCNC(=O)CCSCCSC(C)C 62a_100000737597_100000730970 [0,1,0,0,0,0|3,0,0]=4 4580 B13R0.88 CCNC(=O)CNCCCCC(C)C 2230a_100016988866_100011216152 [0,1,0,0,0,0|2,0,0]=3 4581 B13R0.88 CCNC(=O)CNCCCOC(C)C 2230a_100000737246_100000183381 [0,1,0,0,0,0|3,0,0]=4 4582 B13R0.88 CCNC(=O)CNCCCOC(C)C 34a_100000737246_100000183381 [0,1,0,0,0,0|3,0,0]=4 4583 B13R0.88 CCNC(=O)COCCCCC(C)C 34a_100011214890_100000183381 [0,1,0,0,0,0|2,0,0]=3 4584 B13R0.88 CCNC(=O)COCCCCC(C)C 7a_100011214890_100000183381 [0,1,0,0,0,0|2,0,0]=3 4585 B13R0.88 CCNC(=O)COCCCNC(C)C 34a_100000182298_100000183381 [0,1,0,0,0,0|3,0,0]=4 4586 B13R0.88 CCNC(=O)COCCNCC(C)C 34a_100015185251_100000183381 [0,1,0,0,0,0|3,0,0]=4 4587 B13R0.88 CCNC(=O)COCCOCC(C)C 34a_100000703358_100000183381 [0,1,0,0,0,0|3,0,0]=4 4588 B13R0.88 CCNC(=O)COCCOCC(C)C 7a_100000703358_100000183381 [0,1,0,0,0,0|3,0,0]=4 4589 B13R0.88 CCNC(=O)COCCSCC(C)C 34a_200000230437_100000183381 [0,1,0,0,0,0|3,0,0]=4 4590 B13R0.88 CCNC(=O)COCCSCC(C)C 7a_200000230437_100000183381 [0,1,0,0,0,0|3,0,0]=4 4591 B13R0.88 CCNC(=O)CSCCCCC(=O)C 62a_100000183381_100000735457 [0,1,0,0,0,0|2,0,1]=4 4592 B13R0.88 CCNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183381 [0,1,0,0,0,0|2,0,1]=4 4593 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100000183381_100011216152 [0,1,0,0,0,0|2,0,0]=3 4594 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183381 [0,1,0,0,0,0|2,0,0]=3 4595 B13R0.88 CCNC(=O)CSCCCCN(C)C 62a_100000183381_100000690147 [0,1,0,0,0,0|3,0,0]=4 4596 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [0,1,0,0,0,0|2,0,0]=3 4597 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [0,1,0,0,0,0|2,0,0]=3 4598 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [0,1,0,0,0,0|2,0,0]=3 4599 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [0,1,0,0,0,0|2,0,0]=3 4600 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [0,1,0,0,0,0|2,0,0]=3 4601 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [0,1,0,0,0,0|2,0,0]=3 4602 B13R0.88 CCNC(=O)NCCCCCN(C)C 2708a_100015525214_100020635752 [0,1,0,0,0,0|3,0,0]=4 4603 B13R0.88 CCNC(=O)NCCCCCN(C)C 2708a_100020635752_100015525214 [0,1,0,0,0,0|3,0,0]=4 4604 B13R0.88 CCNC(=O)NCCCCCN(C)C 273464a_100015525214_100020635752 [0,1,0,0,0,0|3,0,0]=4 4605 B13R0.88 CCNC(=O)NCCCCCN(C)C 273464a_100020635752_100015525214 [0,1,0,0,0,0|3,0,0]=4 4606 B13R0.88 CCNC(=O)NCCCCCN(C)C 512a_100015525214_100020635752 [0,1,0,0,0,0|3,0,0]=4 4607 B13R0.88 CCNC(=O)NCCCCCN(C)C 512a_100020635752_100015525214 [0,1,0,0,0,0|3,0,0]=4 4608 B13R0.88 CCNC(=O)NCCCOCC(C)C 2708a_100000205972_100015525214 [0,1,0,0,0,0|3,0,0]=4 4609 B13R0.88 CCNC(=O)NCCCOCC(C)C 2708a_100015525214_100000205972 [0,1,0,0,0,0|3,0,0]=4 4610 B13R0.88 CCNC(=O)NCCCOCC(C)C 273464a_100000205972_100015525214 [0,1,0,0,0,0|3,0,0]=4 4611 B13R0.88 CCNC(=O)NCCCOCC(C)C 273464a_100015525214_100000205972 [0,1,0,0,0,0|3,0,0]=4 4612 B13R0.88 CCNC(=O)NCCCOCC(C)C 512a_100000205972_100015525214 [0,1,0,0,0,0|3,0,0]=4 4613 B13R0.88 CCNC(=O)NCCCOCC(C)C 512a_100015525214_100000205972 [0,1,0,0,0,0|3,0,0]=4 4614 B13R0.88 CCOC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100016267167 [0,1,0,0,0,0|1,0,2]=4 4615 B13R0.88 CCOC(=O)/C=C/COCCC(C)Br 34a_100009893172_100016267167 [0,1,0,0,0,0|1,0,2]=4 4616 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 34a_100000210254_100016267167 [0,1,0,0,0,0|1,0,2]=4 4617 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 7a_100000210254_100016267167 [0,1,0,0,0,0|1,0,2]=4 4618 B13R0.88 CCOC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100016267167 [0,1,0,0,0,0|1,0,2]=4 4619 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100000210312_100016267167 [0,1,0,0,0,0|1,0,2]=4 4620 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100016267167_100000210312 [0,1,0,0,0,0|1,0,2]=4 4621 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100012276601_100016267167 [0,1,0,0,0,0|1,0,2]=4 4622 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100016267167_100012276601 [0,1,0,0,0,0|1,0,2]=4 4623 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,1,0,0,0,0|0,0,1]=2 4624 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,1,0,0,0,0|0,0,1]=2 4625 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,1,0,0,0,0|0,0,1]=2 4626 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [0,1,0,0,0,0|1,0,0]=2 4627 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [0,1,0,0,0,0|1,0,0]=2 4628 B13R0.88 CCOC(=O)CCCCCNC(=O)C 188690a_100000062434_100015343762 [0,1,0,0,0,0|1,0,1]=3 4629 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [0,1,0,0,0,0|1,0,0]=2 4630 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [0,1,0,0,0,0|1,0,0]=2 4631 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [0,1,0,0,0,0|1,0,0]=2 4632 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [0,1,0,0,0,0|1,0,0]=2 4633 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [0,1,0,0,0,0|1,0,0]=2 4634 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [0,1,0,0,0,0|1,0,0]=2 4635 B13R0.88 CCOC(=O)CCCCNCC(=O)N 2230a_100000711301_100000750268 [0,1,0,0,0,0|2,0,1]=4 4636 B13R0.88 CCOC(=O)CCCCNCC(=O)O 269956a_100016091260_100000750268 [0,1,0,0,0,0|2,0,1]=4 4637 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [0,1,0,0,0,0|1,0,0]=2 4638 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [0,1,0,0,0,0|1,0,0]=2 4639 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [0,1,0,0,0,0|1,0,0]=2 4640 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [0,1,0,0,0,0|1,0,0]=2 4641 B13R0.88 CCOC(=O)CCCCNCC(F)F 34a_100000765723_100000750268 [0,1,0,0,0,0|2,0,0]=3 4642 B13R0.88 CCOC(=O)CCCCOCC(=O)C 34a_100000211253_100000750268 [0,1,0,0,0,0|1,0,1]=3 4643 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [0,1,0,0,0,0|1,0,0]=2 4644 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [0,1,0,0,0,0|1,0,0]=2 4645 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [0,1,0,0,0,0|1,0,0]=2 4646 B13R0.88 CCOC(=O)CCCCOCC(F)F 34a_100000743014_100000750268 [0,1,0,0,0,0|2,0,0]=3 4647 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [0,1,0,0,0,0|1,0,0]=2 4648 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [0,1,0,0,0,0|1,0,0]=2 4649 B13R0.88 CCOC(=O)CCCCSCC(=O)N 62a_100000747473_100000750268 [0,1,0,0,0,0|2,0,1]=4 4650 B13R0.88 CCOC(=O)CCCCSCC(=O)N 62a_100000750268_100000747473 [0,1,0,0,0,0|2,0,1]=4 4651 B13R0.88 CCOC(=O)CCCCSCC(=O)[O-] 62a_100000750268_100020667443 [0,1,0,0,0,0|2,0,1]=4 4652 B13R0.88 CCOC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000750268 [0,1,0,0,0,0|2,0,1]=4 4653 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [0,1,0,0,0,0|1,0,0]=2 4654 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [0,1,0,0,0,0|1,0,0]=2 4655 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [0,1,0,0,0,0|1,0,0]=2 4656 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [0,1,0,0,0,0|1,0,0]=2 4657 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100000750268_100011934356 [0,1,0,0,0,0|2,0,0]=3 4658 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100011934356_100000750268 [0,1,0,0,0,0|2,0,0]=3 4659 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [0,1,0,0,0,0|1,0,0]=2 4660 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [0,1,0,0,0,0|1,0,0]=2 4661 B13R0.88 CCOC(=O)CCCCSC[N+](=O)[O-] 62a_100000750268_100000761209 [0,1,0,0,0,0|3,0,0]=4 4662 B13R0.88 CCOC(=O)CCCNCC=C(C)C 34a_100000718196_100009991533 [0,1,0,0,0,0|1,0,2]=4 4663 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [0,1,0,0,0,0|1,0,0]=2 4664 B13R0.88 CCOC(=O)CCCOCC=C(C)C 34a_100000753907_100009991533 [0,1,0,0,0,0|1,0,2]=4 4665 B13R0.88 CCOC(=O)CCCOCC=C(C)C 7a_100012001163_100000761012 [0,1,0,0,0,0|1,0,2]=4 4666 B13R0.88 CCOC(=O)CCCOCCC(=O)C 34a_100000759926_100009991533 [0,1,0,0,0,0|1,0,1]=3 4667 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100000759926_100011215271 [0,1,0,0,0,0|1,0,1]=3 4668 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100012001163_100000053229 [0,1,0,0,0,0|1,0,1]=3 4669 B13R0.88 CCOC(=O)CCCOCCC(=O)N 34a_100000757172_100009991533 [0,1,0,0,0,0|2,0,1]=4 4670 B13R0.88 CCOC(=O)CCCOCCC(=O)N 7a_100000757172_100011215271 [0,1,0,0,0,0|2,0,1]=4 4671 B13R0.88 CCOC(=O)CCCOCCC(=O)N 7a_100012001163_100000744528 [0,1,0,0,0,0|2,0,1]=4 4672 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [0,1,0,0,0,0|1,0,0]=2 4673 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [0,1,0,0,0,0|1,0,0]=2 4674 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [0,1,0,0,0,0|1,0,0]=2 4675 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [0,1,0,0,0,0|1,0,0]=2 4676 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [0,1,0,0,0,0|1,0,0]=2 4677 B13R0.88 CCOC(=O)CCCOCCC(F)F 34a_100103093639_100009991533 [0,1,0,0,0,0|2,0,0]=3 4678 B13R0.88 CCOC(=O)CCCOCCN(C)C 7a_100012001163_100000755713 [0,1,0,0,0,0|2,0,0]=3 4679 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [0,1,0,0,0,0|1,0,0]=2 4680 B13R0.88 CCOC(=O)CCCSCC=C(C)C 62a_100000761012_100009991533 [0,1,0,0,0,0|1,0,2]=4 4681 B13R0.88 CCOC(=O)CCCSCC=C(C)C 62a_100009991533_100000761012 [0,1,0,0,0,0|1,0,2]=4 4682 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100000053229_100009991533 [0,1,0,0,0,0|1,0,1]=3 4683 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100009991533_100000053229 [0,1,0,0,0,0|1,0,1]=3 4684 B13R0.88 CCOC(=O)CCCSCCC(=O)N 62a_100000744528_100009991533 [0,1,0,0,0,0|2,0,1]=4 4685 B13R0.88 CCOC(=O)CCCSCCC(=O)N 62a_100009991533_100000744528 [0,1,0,0,0,0|2,0,1]=4 4686 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [0,1,0,0,0,0|1,0,0]=2 4687 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [0,1,0,0,0,0|1,0,0]=2 4688 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [0,1,0,0,0,0|1,0,0]=2 4689 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [0,1,0,0,0,0|1,0,0]=2 4690 B13R0.88 CCOC(=O)CCCSCCN(C)C 62a_100009991533_100000755713 [0,1,0,0,0,0|2,0,0]=3 4691 B13R0.88 CCOC(=O)CCCSCOC(=O)C 62a_100000076356_100009991533 [0,1,0,0,0,0|2,0,1]=4 4692 B13R0.88 CCOC(=O)CCCSCOC(=O)C 62a_100009991533_100000076356 [0,1,0,0,0,0|2,0,1]=4 4693 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100000709892_100009991533 [0,1,0,0,0,0|2,0,0]=3 4694 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100009991533_100000709892 [0,1,0,0,0,0|2,0,0]=3 4695 B13R0.88 CCOC(=O)CCNCCCC(=O)N 34a_100000739312_100000765890 [0,1,0,0,0,0|2,0,1]=4 4696 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [0,1,0,0,0,0|1,0,0]=2 4697 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [0,1,0,0,0,0|1,0,0]=2 4698 B13R0.88 CCOC(=O)CCNCCCS(=O)C 2230a_200000753449_100011206558 [0,1,0,0,0,0|2,0,0]=3 4699 B13R0.88 CCOC(=O)CCNCCNC(=O)C 2230a_100000209853_100011206558 [0,1,0,0,0,0|2,0,1]=4 4700 B13R0.88 CCOC(=O)CCNCCOC(C)C 2230a_100000701111_100011206558 [0,1,0,0,0,0|2,0,0]=3 4701 B13R0.88 CCOC(=O)CCNCCOC(C)C 34a_100000701111_100000765890 [0,1,0,0,0,0|2,0,0]=3 4702 B13R0.88 CCOC(=O)CCNCCSC(C)C 2230a_100000731138_100011206558 [0,1,0,0,0,0|2,0,0]=3 4703 B13R0.88 CCOC(=O)CCNCCSC(C)C 34a_100000731138_100000765890 [0,1,0,0,0,0|2,0,0]=3 4704 B13R0.88 CCOC(=O)CCOCCCC(=O)C 34a_100000759063_100000765890 [0,1,0,0,0,0|1,0,1]=3 4705 B13R0.88 CCOC(=O)CCOCCCC(=O)C 7a_100000759063_100011206558 [0,1,0,0,0,0|1,0,1]=3 4706 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [0,1,0,0,0,0|1,0,0]=2 4707 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [0,1,0,0,0,0|1,0,0]=2 4708 B13R0.88 CCOC(=O)CCOCCC[N+](=O)[O-] 34a_200000037920_100000765890 [0,1,0,0,0,0|3,0,0]=4 4709 B13R0.88 CCOC(=O)CCOCCNC(=O)C 34a_100000158858_100000765890 [0,1,0,0,0,0|2,0,1]=4 4710 B13R0.88 CCOC(=O)CCOCCNC(C)C 34a_100000224655_100000765890 [0,1,0,0,0,0|2,0,0]=3 4711 B13R0.88 CCOC(=O)CCOCCOC(C)C 34a_100000211219_100000765890 [0,1,0,0,0,0|2,0,0]=3 4712 B13R0.88 CCOC(=O)CCOCCOC(C)C 7a_100000211219_100011206558 [0,1,0,0,0,0|2,0,0]=3 4713 B13R0.88 CCOC(=O)CCOCCSC(C)C 34a_200011212901_100000765890 [0,1,0,0,0,0|2,0,0]=3 4714 B13R0.88 CCOC(=O)CCOCCSC(C)C 7a_200011212901_100011206558 [0,1,0,0,0,0|2,0,0]=3 4715 B13R0.88 CCOC(=O)CCSCCC=C(C)C 62a_100000765890_100011217483 [0,1,0,0,0,0|1,0,2]=4 4716 B13R0.88 CCOC(=O)CCSCCC=C(C)C 62a_100011217483_100000765890 [0,1,0,0,0,0|1,0,2]=4 4717 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100000765890_100011215641 [0,1,0,0,0,0|1,0,1]=3 4718 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100011215641_100000765890 [0,1,0,0,0,0|1,0,1]=3 4719 B13R0.88 CCOC(=O)CCSCCCC(=O)N 62a_100000765890_100102525003 [0,1,0,0,0,0|2,0,1]=4 4720 B13R0.88 CCOC(=O)CCSCCCC(=O)N 62a_100102525003_100000765890 [0,1,0,0,0,0|2,0,1]=4 4721 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [0,1,0,0,0,0|1,0,0]=2 4722 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [0,1,0,0,0,0|1,0,0]=2 4723 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [0,1,0,0,0,0|1,0,0]=2 4724 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [0,1,0,0,0,0|1,0,0]=2 4725 B13R0.88 CCOC(=O)CCSCCCN(C)C 62a_100000765890_100000757444 [0,1,0,0,0,0|2,0,0]=3 4726 B13R0.88 CCOC(=O)CCSCCNC(=O)C 62a_100000189650_100000765890 [0,1,0,0,0,0|2,0,1]=4 4727 B13R0.88 CCOC(=O)CCSCCNC(=O)C 62a_100000765890_100000189650 [0,1,0,0,0,0|2,0,1]=4 4728 B13R0.88 CCOC(=O)CCSCCOC(=O)C 62a_100000765890_100009814007 [0,1,0,0,0,0|2,0,1]=4 4729 B13R0.88 CCOC(=O)CCSCCOC(=O)C 62a_100009814007_100000765890 [0,1,0,0,0,0|2,0,1]=4 4730 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000211751_100000765890 [0,1,0,0,0,0|2,0,0]=3 4731 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000765890_100000211751 [0,1,0,0,0,0|2,0,0]=3 4732 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000730970_100000765890 [0,1,0,0,0,0|2,0,0]=3 4733 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000765890_100000730970 [0,1,0,0,0,0|2,0,0]=3 4734 B13R0.88 CCOC(=O)CNCCCCC(=O)N 34a_100000696515_100000188475 [0,1,0,0,0,0|2,0,1]=4 4735 B13R0.88 CCOC(=O)CNCCCNC(=O)C 34a_100000736810_100000188475 [0,1,0,0,0,0|2,0,1]=4 4736 B13R0.88 CCOC(=O)CNCCCOC(C)C 2230a_100000737246_100000188475 [0,1,0,0,0,0|2,0,0]=3 4737 B13R0.88 CCOC(=O)CNCCCOC(C)C 34a_100000737246_100000188475 [0,1,0,0,0,0|2,0,0]=3 4738 B13R0.88 CCOC(=O)COCCCCC(=O)N 34a_100012022536_100000188475 [0,1,0,0,0,0|2,0,1]=4 4739 B13R0.88 CCOC(=O)COCCCCC(=O)N 7a_100012022536_100000188475 [0,1,0,0,0,0|2,0,1]=4 4740 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [0,1,0,0,0,0|1,0,0]=2 4741 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [0,1,0,0,0,0|1,0,0]=2 4742 B13R0.88 CCOC(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000188475 [0,1,0,0,0,0|3,0,0]=4 4743 B13R0.88 CCOC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000188475 [0,1,0,0,0,0|3,0,0]=4 4744 B13R0.88 CCOC(=O)COCCCNC(=O)C 34a_100000752032_100000188475 [0,1,0,0,0,0|2,0,1]=4 4745 B13R0.88 CCOC(=O)COCCCNC(C)C 2230a_100138425928_100009893628 [0,1,0,0,0,0|2,0,0]=3 4746 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100000182298_100000188475 [0,1,0,0,0,0|2,0,0]=3 4747 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100138425928_100009893628 [0,1,0,0,0,0|2,0,0]=3 4748 B13R0.88 CCOC(=O)COCCCOC(C)C 34a_100000212225_100009893628 [0,1,0,0,0,0|2,0,0]=3 4749 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100000210206_100009893628 [0,1,0,0,0,0|2,0,0]=3 4750 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100009893628_100000210206 [0,1,0,0,0,0|2,0,0]=3 4751 B13R0.88 CCOC(=O)COCCNCC(C)C 2230a_100000210953_100000088970 [0,1,0,0,0,0|2,0,0]=3 4752 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100000210953_100000088970 [0,1,0,0,0,0|2,0,0]=3 4753 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100015185251_100000188475 [0,1,0,0,0,0|2,0,0]=3 4754 B13R0.88 CCOC(=O)COCCNCC(C)O 2230a_100000210904_100000088970 [0,1,0,0,0,0|2,0,0]=3 4755 B13R0.88 CCOC(=O)COCCNCC(C)O 34a_100000210904_100000088970 [0,1,0,0,0,0|2,0,0]=3 4756 B13R0.88 CCOC(=O)COCCNCC(F)F 34a_100000765723_100000088970 [0,1,0,0,0,0|3,0,0]=4 4757 B13R0.88 CCOC(=O)COCCOCC(=O)C 34a_100000211253_100000088970 [0,1,0,0,0,0|2,0,1]=4 4758 B13R0.88 CCOC(=O)COCCOCC(C)Br 34a_100012180447_100000088970 [0,1,0,0,0,0|2,0,0]=3 4759 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000210257_100000088970 [0,1,0,0,0,0|2,0,0]=3 4760 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000703358_100000188475 [0,1,0,0,0,0|2,0,0]=3 4761 B13R0.88 CCOC(=O)COCCOCC(C)C 7a_100000703358_100000188475 [0,1,0,0,0,0|2,0,0]=3 4762 B13R0.88 CCOC(=O)COCCOCC(C)F 34a_100015925927_100000088970 [0,1,0,0,0,0|2,0,0]=3 4763 B13R0.88 CCOC(=O)COCCOCC(F)F 34a_100000704375_100000188475 [0,1,0,0,0,0|3,0,0]=4 4764 B13R0.88 CCOC(=O)COCCOCC(F)F 34a_100000743014_100000088970 [0,1,0,0,0,0|3,0,0]=4 4765 B13R0.88 CCOC(=O)COCCOCC(F)F 7a_100000704375_100000188475 [0,1,0,0,0,0|3,0,0]=4 4766 B13R0.88 CCOC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000088970 [0,1,0,0,0,0|2,0,0]=3 4767 B13R0.88 CCOC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000088970 [0,1,0,0,0,0|2,0,0]=3 4768 B13R0.88 CCOC(=O)COCCSCC(C)C 34a_200000230437_100000188475 [0,1,0,0,0,0|2,0,0]=3 4769 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000088970_100000210760 [0,1,0,0,0,0|2,0,0]=3 4770 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000210624_100000088970 [0,1,0,0,0,0|2,0,0]=3 4771 B13R0.88 CCOC(=O)COCCSCC(C)C 7a_200000230437_100000188475 [0,1,0,0,0,0|2,0,0]=3 4772 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100000088970_100011218427 [0,1,0,0,0,0|2,0,0]=3 4773 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100011218427_100000088970 [0,1,0,0,0,0|2,0,0]=3 4774 B13R0.88 CCOC(=O)COCCSCC(F)F 62a_100000088970_100011934356 [0,1,0,0,0,0|3,0,0]=4 4775 B13R0.88 CCOC(=O)COCCSCC(F)F 62a_100011934356_100000088970 [0,1,0,0,0,0|3,0,0]=4 4776 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100000088970_100009817552 [0,1,0,0,0,0|2,0,0]=3 4777 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000088970 [0,1,0,0,0,0|2,0,0]=3 4778 B13R0.88 CCOC(=O)CSCCCCB(O)O 62a_100000188475_200009817182 [0,1,0,0,0,0|3,0,0]=4 4779 B13R0.88 CCOC(=O)CSCCCCB(O)O 62a_200009817182_100000188475 [0,1,0,0,0,0|3,0,0]=4 4780 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [0,1,0,0,0,0|1,0,1]=3 4781 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [0,1,0,0,0,0|1,0,1]=3 4782 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [0,1,0,0,0,0|1,0,0]=2 4783 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [0,1,0,0,0,0|1,0,0]=2 4784 B13R0.88 CCOC(=O)CSCCCCN(C)C 62a_100000188475_100000690147 [0,1,0,0,0,0|2,0,0]=3 4785 B13R0.88 CCOC(=O)CSCCCOC(=O)C 62a_100000042594_100000188475 [0,1,0,0,0,0|2,0,1]=4 4786 B13R0.88 CCOC(=O)CSCCCOC(=O)C 62a_100000188475_100000042594 [0,1,0,0,0,0|2,0,1]=4 4787 B13R0.88 CCOC(=O)CSCCCOC(=S)C 62a_100000188475_200135323944 [0,1,0,0,0,0|2,0,1]=4 4788 B13R0.88 CCOC(=O)CSCCCOC(=S)C 62a_200135323944_100000188475 [0,1,0,0,0,0|2,0,1]=4 4789 B13R0.88 CCOC(=O)CSCCCSC(=O)C 62a_100000038929_100000188475 [0,1,0,0,0,0|2,0,1]=4 4790 B13R0.88 CCOC(=O)CSCCCSC(=O)C 62a_100000188475_100000038929 [0,1,0,0,0,0|2,0,1]=4 4791 B13R0.88 CCOC(=O)CSCCOCC(C)C 7a_200000230590_100000210760 [0,1,0,0,0,0|2,0,0]=3 4792 B13R0.88 CCOC(=O)CSCCOCC(C)O 7a_200000230590_100011218427 [0,1,0,0,0,0|2,0,0]=3 4793 B13R0.88 CCOC(=O)CSCCOCC(F)F 62a_100000188475_200012177212 [0,1,0,0,0,0|3,0,0]=4 4794 B13R0.88 CCOC(=O)CSCCOCC(F)F 62a_200012177212_100000188475 [0,1,0,0,0,0|3,0,0]=4 4795 B13R0.88 CCOC(=O)CSCCOCC(F)F 7a_200000230590_100011934356 [0,1,0,0,0,0|3,0,0]=4 4796 B13R0.88 CCOC(=O)CSCCOC[C@@H](C)O 7a_200000230590_100009817552 [0,1,0,0,0,0|2,0,0]=3 4797 B13R0.88 CCOC(=O)NCCOCCC(=O)C 7a_100000759926_200011445536 [0,1,0,0,0,0|2,0,1]=4 4798 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [0,1,0,0,0,0|2,0,0]=3 4799 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [0,1,0,0,0,0|2,0,0]=3 4800 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [0,1,0,0,0,0|2,0,0]=3 4801 B13R0.88 CCOC(=O)NCCOCOC(C)C 34a_100000158857_100000709892 [0,1,0,0,0,0|3,0,0]=4 4802 B13R0.88 CCOC(=O)NCCSCCC(=O)C 62a_100000053229_200011445536 [0,1,0,0,0,0|2,0,1]=4 4803 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [0,1,0,0,0,0|2,0,0]=3 4804 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [0,1,0,0,0,0|2,0,0]=3 4805 B13R0.88 CCOC(=O)NCCSCOC(C)C 62a_100000709892_200011445536 [0,1,0,0,0,0|3,0,0]=4 4806 B13R0.88 CCOC(=O)OCSCCCC(=O)C 62a_100011215641_100000075025 [0,1,0,0,0,0|2,0,1]=4 4807 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [0,1,0,0,0,0|2,0,0]=3 4808 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [0,1,0,0,0,0|2,0,0]=3 4809 B13R0.88 CCOC(=O)OCSCCOC(C)C 62a_100000211751_100000075025 [0,1,0,0,0,0|3,0,0]=4 4810 B13R0.88 CCOC(=O)OCSCCSC(C)C 62a_100000730970_100000075025 [0,1,0,0,0,0|3,0,0]=4 4811 B13R0.88 CNNC(=O)CCCCCCC(C)C 22a_100016993582_100000040743 [0,1,0,0,0,0|2,0,0]=3 4812 B13R0.88 CNNC(=O)NCCCCCC(C)C 273464a_100011290863_100016993582 [0,1,0,0,0,0|3,0,0]=4 4813 B13R0.88 CNNC(=O)NCCCCCC(C)C 512a_100011290863_100016993582 [0,1,0,0,0,0|3,0,0]=4 4814 B13R0.88 CNNC(=O)NCCCCCC(C)C 512a_100016993582_100011290863 [0,1,0,0,0,0|3,0,0]=4 4815 B13R0.88 COCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210968 [0,1,0,0,0,0|3,0,0]=4 4816 B13R0.88 COCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210968 [0,1,0,0,0,0|3,0,0]=4 4817 B13R0.88 COCC(=O)NCCCCCC(C)C 527a_100011290863_100000210968 [0,1,0,0,0,0|3,0,0]=4 4818 B13R0.88 CSCC(=O)NCCCCCC(C)C 1626a_100011290863_100000184570 [0,1,0,0,0,0|3,0,0]=4 4819 B13R0.88 CSCC(=O)NCCCCCC(C)C 240690a_100011290863_100000184570 [0,1,0,0,0,0|3,0,0]=4 4820 B13R0.88 CSCC(=O)NCCCCCC(C)C 527a_100011290863_100000184570 [0,1,0,0,0,0|3,0,0]=4 4821 B13R0.175 C#CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000753159 [0,1,0,0,0,0|0,0,3]=4 4822 B13R0.175 C#CCCC(=O)CCCC(=O)OCC 1458a_100000692101_100011215271 [0,1,0,0,0,0|0,0,3]=4 4823 B13R0.175 C/C=C/CC(=O)CCCC(=O)OCC 1458a_100000210991_100102629194 [0,1,0,0,0,0|0,0,3]=4 4824 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000754431 [0,1,0,0,0,0|0,0,3]=4 4825 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000749702_100011215271 [0,1,0,0,0,0|0,0,3]=4 4826 B13R0.175 C=CCCC(C)OCCC(=O)OCC 34a_100000765329_100000765890 [0,1,0,0,0,0|1,0,2]=4 4827 B13R0.175 C=CCCC(C)OCCC(=O)OCC 7a_100000765329_100011206558 [0,1,0,0,0,0|1,0,2]=4 4828 B13R0.175 C=CCCN(C)CCCC(=O)OCC 2230a_100020639649_100009991533 [0,1,0,0,0,0|1,0,2]=4 4829 B13R0.175 C=CCCN(C)CCCC(=O)OCC 269982a_100020639649_100009991533 [0,1,0,0,0,0|1,0,2]=4 4830 B13R0.175 C=COC(=O)COCC(C)CCCC 34a_100011995851_100000036128 [0,1,0,0,0,0|1,0,2]=4 4831 B13R0.175 C=COC(=O)COC[C@@H](N)CCCC 34a_100011934283_100000036128 [0,1,0,0,0,0|1,0,2]=4 4832 B13R0.175 CC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000748600 [0,1,0,0,0,0|0,0,3]=4 4833 B13R0.175 CC=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000070051 [0,1,0,0,0,0|0,0,3]=4 4834 B13R0.175 CC=CCC(=O)CCCC(=O)OCC 1458a_100121576822_100011215271 [0,1,0,0,0,0|0,0,3]=4 4835 B13R0.175 CCC#CC(=O)CCCC(=O)OCC 1458a_100011827653_100011215271 [0,1,0,0,0,0|0,0,3]=4 4836 B13R0.175 CCC#CC(C)OCCC(=O)OCC 34a_100000033903_100000765890 [0,1,0,0,0,0|1,0,2]=4 4837 B13R0.175 CCC#CC(C)OCCC(=O)OCC 7a_100000033903_100011206558 [0,1,0,0,0,0|1,0,2]=4 4838 B13R0.175 CCC=CC(=O)CCCC(=O)OCC 1458a_100000212282_100011215271 [0,1,0,0,0,0|0,0,3]=4 4839 B13R0.175 CCCC(=O)CNCC(O)COCC 2230a_102515437182_100000747444 [0,1,0,0,0,0|3,0,0]=4 4840 B13R0.175 CCCC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747444 [0,1,0,0,0,0|3,0,0]=4 4841 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [0,1,0,0,0,0|1,0,1]=3 4842 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,1,0,0,0,0|0,0,1]=2 4843 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,1,0,0,0,0|0,0,1]=2 4844 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,1,0,0,0,0|1,0,1]=3 4845 B13R0.175 CCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210183 [0,1,0,0,0,0|2,0,1]=4 4846 B13R0.175 CCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210183 [0,1,0,0,0,0|2,0,1]=4 4847 B13R0.175 CCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210183 [0,1,0,0,0,0|2,0,1]=4 4848 B13R0.175 CCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210183 [0,1,0,0,0,0|2,0,1]=4 4849 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [0,1,0,0,0,0|1,0,1]=3 4850 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [0,1,0,0,0,0|2,0,0]=3 4851 B13R0.175 CCCCC(C)COCC(=O)NCC 34a_100011995851_100000183381 [0,1,0,0,0,0|2,0,0]=3 4852 B13R0.175 CCCCC(C)COCC(=O)NCC 7a_100011995851_100000183381 [0,1,0,0,0,0|2,0,0]=3 4853 B13R0.175 CCCCC(C)COCC(=O)NCO 34a_100011995851_100000185155 [0,1,0,0,0,0|3,0,0]=4 4854 B13R0.175 CCCCC(C)COCC(=O)NCO 7a_100011995851_100000185155 [0,1,0,0,0,0|3,0,0]=4 4855 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [0,1,0,0,0,0|1,0,0]=2 4856 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [0,1,0,0,0,0|1,0,0]=2 4857 B13R0.175 CCCCC(C)NCCC(=O)NCC 2230a_100000126638_100000737597 [0,1,0,0,0,0|2,0,0]=3 4858 B13R0.175 CCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210087 [0,1,0,0,0,0|2,0,0]=3 4859 B13R0.175 CCCCC(C)NCCC(=O)NCC 34a_100025743525_200011215066 [0,1,0,0,0,0|2,0,0]=3 4860 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [0,1,0,0,0,0|1,0,0]=2 4861 B13R0.175 CCCCC(C)NCOC(=O)CCC 2230a_100000126638_100000034017 [0,1,0,0,0,0|3,0,0]=4 4862 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [0,1,0,0,0,0|2,0,0]=3 4863 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [0,1,0,0,0,0|1,0,0]=2 4864 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [0,1,0,0,0,0|1,0,0]=2 4865 B13R0.175 CCCCC(C)OCOC(=O)CCC 34a_100000687866_100000034017 [0,1,0,0,0,0|3,0,0]=4 4866 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_100000737597_200011215066 [0,1,0,0,0,0|2,0,0]=3 4867 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_200011215066_100000737597 [0,1,0,0,0,0|2,0,0]=3 4868 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [0,1,0,0,0,0|1,0,0]=2 4869 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [0,1,0,0,0,0|1,0,0]=2 4870 B13R0.175 CCCCC(C)SCOC(=O)CCC 62a_200011215066_100000034017 [0,1,0,0,0,0|3,0,0]=4 4871 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [0,1,0,0,0,0|2,0,0]=3 4872 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 2230a_100000207549_100016267167 [0,1,0,0,0,0|1,0,2]=4 4873 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 269982a_100000207549_100016267167 [0,1,0,0,0,0|1,0,2]=4 4874 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [0,1,0,0,0,0|1,0,0]=2 4875 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [0,1,0,0,0,0|1,0,0]=2 4876 B13R0.175 CCCCN(C)CCNC(=O)CCC 1626a_200000754967_100000211992 [0,1,0,0,0,0|3,0,0]=4 4877 B13R0.175 CCCCN(C)CCNC(=O)CCC 240690a_200000754967_100000211992 [0,1,0,0,0,0|3,0,0]=4 4878 B13R0.175 CCCCN(C)CCNC(=O)CCC 527a_200000754967_100000211992 [0,1,0,0,0,0|3,0,0]=4 4879 B13R0.175 CCCCN(C)CCNC(=O)NCC 2708a_100015525214_200000754967 [0,1,0,0,0,0|3,0,0]=4 4880 B13R0.175 CCCCN(C)CCNC(=O)NCC 2708a_200000754967_100015525214 [0,1,0,0,0,0|3,0,0]=4 4881 B13R0.175 CCCCN(C)CCNC(=O)NCC 273464a_100015525214_200000754967 [0,1,0,0,0,0|3,0,0]=4 4882 B13R0.175 CCCCN(C)CCNC(=O)NCC 273464a_200000754967_100015525214 [0,1,0,0,0,0|3,0,0]=4 4883 B13R0.175 CCCCN(C)CCNC(=O)NCC 512a_100015525214_200000754967 [0,1,0,0,0,0|3,0,0]=4 4884 B13R0.175 CCCCN(C)CCNC(=O)NCC 512a_200000754967_100015525214 [0,1,0,0,0,0|3,0,0]=4 4885 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [0,1,0,0,0,0|2,0,0]=3 4886 B13R0.175 CCCC[C@H](N)COCC(=O)NCC 34a_100011934283_100000183381 [0,1,0,0,0,0|2,0,0]=3 4887 B13R0.175 CCCC[C@H](N)COCC(=O)NCO 34a_100011934283_100000185155 [0,1,0,0,0,0|3,0,0]=4 4888 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [0,1,0,0,0,0|1,0,0]=2 4889 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000199544_100000210303 [0,1,0,0,0,0|2,0,1]=4 4890 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000211992_100011194427 [0,1,0,0,0,0|2,0,1]=4 4891 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199544 [0,1,0,0,0,0|2,0,1]=4 4892 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100020643023_100000199580 [0,1,0,0,0,0|2,0,1]=4 4893 B13R0.175 CCCNC(=O)CCCC(=O)NCC 1626a_100020643023_100000199580 [0,1,0,0,0,0|2,0,1]=4 4894 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199544 [0,1,0,0,0,0|2,0,1]=4 4895 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100020643023_100000199580 [0,1,0,0,0,0|2,0,1]=4 4896 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199544 [0,1,0,0,0,0|2,0,1]=4 4897 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100020643023_100000199580 [0,1,0,0,0,0|2,0,1]=4 4898 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [0,1,0,0,0,0|1,0,1]=3 4899 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [0,1,0,0,0,0|1,0,1]=3 4900 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [0,1,0,0,0,0|1,0,1]=3 4901 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [0,1,0,0,0,0|1,0,1]=3 4902 B13R0.175 CCCNC(=O)CNCC(=O)OCC 2230a_100000174927_100000188475 [0,1,0,0,0,0|2,0,1]=4 4903 B13R0.175 CCCNC(=O)CSCC(=O)OCC 62a_100000183358_100000188475 [0,1,0,0,0,0|2,0,1]=4 4904 B13R0.175 CCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183358 [0,1,0,0,0,0|2,0,1]=4 4905 B13R0.175 CCCOC(=O)CSCC(=O)OCC 62a_100000188475_200011215008 [0,1,0,0,0,0|2,0,1]=4 4906 B13R0.175 CCCOC(=O)CSCC(=O)OCC 62a_200011215008_100000188475 [0,1,0,0,0,0|2,0,1]=4 4907 B13R0.175 CCCOC(C)CNCC(=O)CCC 2230a_100015185124_100000747444 [0,1,0,0,0,0|3,0,0]=4 4908 B13R0.175 CCCOC(C)CNCC(=O)NCC 2230a_100015185124_100000183381 [0,1,0,0,0,0|3,0,0]=4 4909 B13R0.175 CCCOC(C)CNCC(=O)NCC 34a_100015185124_100000183381 [0,1,0,0,0,0|3,0,0]=4 4910 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [0,1,0,0,0,0|2,0,0]=3 4911 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [0,1,0,0,0,0|2,0,0]=3 4912 B13R0.175 CCNC(=O)CCCC(=O)CCCF 1458a_100000199580_100011934791 [0,1,0,0,0,0|2,0,1]=4 4913 B13R0.175 CCNC(=O)CCCC(=O)CCCO 1458a_100000199580_100011215043 [0,1,0,0,0,0|2,0,1]=4 4914 B13R0.175 CCNC(=O)CCCC(=O)CCOC 1458a_100000199580_100000233755 [0,1,0,0,0,0|2,0,1]=4 4915 B13R0.175 CCNC(=O)CCCC(=O)CCSC 1458a_100000199580_100000751147 [0,1,0,0,0,0|2,0,1]=4 4916 B13R0.175 CCNC(=O)CCNC(C)CCOC 270004a_100025743525_100000742357 [0,1,0,0,0,0|3,0,0]=4 4917 B13R0.175 CCNC(=O)CCNC(C)CCSC 270004a_100025743525_100011217047 [0,1,0,0,0,0|3,0,0]=4 4918 B13R0.175 CCNC(=O)CCNC(C)CSCC 270004a_100025743525_200011216171 [0,1,0,0,0,0|3,0,0]=4 4919 B13R0.175 CCNC(=O)CCOC(C)CCCCl 7a_200000718107_100000737597 [0,1,0,0,0,0|3,0,0]=4 4920 B13R0.175 CCNC(=O)CCOC(C)COCC 7a_100000718985_100000737597 [0,1,0,0,0,0|3,0,0]=4 4921 B13R0.175 CCNC(=O)CNCC(O)COCC 2230a_102515437182_100000183381 [0,1,0,0,0,0|3,0,0]=4 4922 B13R0.175 CCNC(=O)CNCC(O)COCC 34a_102515437182_100000183381 [0,1,0,0,0,0|3,0,0]=4 4923 B13R0.175 CCNC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000183381 [0,1,0,0,0,0|3,0,0]=4 4924 B13R0.175 CCNC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000183381 [0,1,0,0,0,0|3,0,0]=4 4925 B13R0.175 CCNC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000183381 [0,1,0,0,0,0|3,0,0]=4 4926 B13R0.175 CCNN=C(C)CCCC(=O)OCC 4a_100000756455_100000032325 [0,1,0,0,0,0|2,0,1]=4 4927 B13R0.175 CCNNC(=O)CCCC(=O)OCC 22a_100000756455_100000210991 [0,1,0,0,0,0|2,0,1]=4 4928 B13R0.175 CCOC(=O)CCCC(=O)CCC#N 1458a_100000210991_100011215226 [0,1,0,0,0,0|1,0,2]=4 4929 B13R0.175 CCOC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215271 [0,1,0,0,0,0|1,0,2]=4 4930 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [0,1,0,0,0,0|1,0,1]=3 4931 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [0,1,0,0,0,0|1,0,1]=3 4932 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [0,1,0,0,0,0|1,0,1]=3 4933 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [0,1,0,0,0,0|1,0,1]=3 4934 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [0,1,0,0,0,0|1,0,1]=3 4935 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [0,1,0,0,0,0|1,0,1]=3 4936 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [0,1,0,0,0,0|1,0,1]=3 4937 B13R0.175 CCOC(=O)CCCC(=O)NCCF 11a_100000724931_100000210991 [0,1,0,0,0,0|2,0,1]=4 4938 B13R0.175 CCOC(=O)CCCC(=O)NCCF 1626a_100000724931_100000210991 [0,1,0,0,0,0|2,0,1]=4 4939 B13R0.175 CCOC(=O)CCCC(=O)NCCF 240690a_100000724931_100000210991 [0,1,0,0,0,0|2,0,1]=4 4940 B13R0.175 CCOC(=O)CCCC(=O)NCCF 527a_100000724931_100000210991 [0,1,0,0,0,0|2,0,1]=4 4941 B13R0.175 CCOC(=O)CCCC(=O)NCCO 240690a_100000210304_100000210991 [0,1,0,0,0,0|2,0,1]=4 4942 B13R0.175 CCOC(=O)CCCC(=O)NCCO 527a_100000210304_100000210991 [0,1,0,0,0,0|2,0,1]=4 4943 B13R0.175 CCOC(=O)CCCN(C)CCC#N 2230a_100000184479_100009991533 [0,1,0,0,0,0|2,0,1]=4 4944 B13R0.175 CCOC(=O)CCCN(C)CCCO 2230a_100000213112_100009991533 [0,1,0,0,0,0|2,0,0]=3 4945 B13R0.175 CCOC(=O)CCCN(C)CCCO 269982a_100000213112_100009991533 [0,1,0,0,0,0|2,0,0]=3 4946 B13R0.175 CCOC(=O)CCCN(C)CCOC 2230a_100000743101_100009991533 [0,1,0,0,0,0|2,0,0]=3 4947 B13R0.175 CCOC(=O)CCCN(C)CCOC 269982a_100000743101_100009991533 [0,1,0,0,0,0|2,0,0]=3 4948 B13R0.175 CCOC(=O)CCCN(C)CCSC 2230a_100000686725_100009991533 [0,1,0,0,0,0|2,0,0]=3 4949 B13R0.175 CCOC(=O)CCCN(C)CCSC 269982a_100000686725_100009991533 [0,1,0,0,0,0|2,0,0]=3 4950 B13R0.175 CCOC(=O)CCNC(=O)CCOC 188690a_100000746078_100000749529 [0,1,0,0,0,0|2,0,1]=4 4951 B13R0.175 CCOC(=O)CCNC(=O)CCSC 188690a_100000746078_100000174002 [0,1,0,0,0,0|2,0,1]=4 4952 B13R0.175 CCOC(=O)CCNC(=O)CSCC 188690a_100000746078_100000230394 [0,1,0,0,0,0|2,0,1]=4 4953 B13R0.175 CCOC(=O)CCOC(C)CCCCl 34a_200000718107_100000765890 [0,1,0,0,0,0|2,0,0]=3 4954 B13R0.175 CCOC(=O)CCOC(C)CCCCl 7a_200000718107_100011206558 [0,1,0,0,0,0|2,0,0]=3 4955 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000188475 [0,1,0,0,0,0|2,0,0]=3 4956 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000188475 [0,1,0,0,0,0|2,0,0]=3 4957 B13R0.175 CCOC(=O)COC[C@@H](C)OCOC 34a_100016172286_100000188475 [0,1,0,0,0,0|3,0,0]=4 4958 B13R0.175 CCOC(=O)COC[C@@H](C)OCOC 7a_100016172286_100000188475 [0,1,0,0,0,0|3,0,0]=4 4959 B13R0.175 CCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000188475 [0,1,0,0,0,0|2,0,0]=3 4960 B13R0.175 CCOC(=O)NCCC(=O)CCOC 1458a_100000749529_200011445536 [0,1,0,0,0,0|2,0,1]=4 4961 B13R0.175 CCOC(=O)NCCC(=O)CCSC 1458a_100000174002_200011445536 [0,1,0,0,0,0|2,0,1]=4 4962 B13R0.175 CCOC(=O)NCCC(=O)CSCC 1458a_100000230394_200011445536 [0,1,0,0,0,0|2,0,1]=4 4963 B13R0.175 CCOC(=O)NCCN(C)CCCO 269982a_100000213112_200011445536 [0,1,0,0,0,0|3,0,0]=4 4964 B13R0.175 CCOC(=O)NCCN(C)CCOC 269982a_100000743101_200011445536 [0,1,0,0,0,0|3,0,0]=4 4965 B13R0.175 CCOC(=O)NCCN(C)CCSC 269982a_100000686725_200011445536 [0,1,0,0,0,0|3,0,0]=4 4966 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [0,1,0,0,0,0|1,0,1]=3 4967 B13R0.175 CCOCC(=O)CCNC(=O)OCC 1458a_100000211967_200011445536 [0,1,0,0,0,0|2,0,1]=4 4968 B13R0.175 CCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211967 [0,1,0,0,0,0|2,0,1]=4 4969 B13R0.175 CCOCC(C)OCCC(=O)OCC 34a_100000718985_100000765890 [0,1,0,0,0,0|2,0,0]=3 4970 B13R0.175 CCOCC(C)OCCC(=O)OCC 7a_100000718985_100011206558 [0,1,0,0,0,0|2,0,0]=3 4971 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [0,1,0,0,0,0|2,0,0]=3 4972 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [0,1,0,0,0,0|2,0,0]=3 4973 B13R0.193 C#CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000184674 [0,1,0,0,0,0|1,0,2]=4 4974 B13R0.193 C#CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000731252 [0,1,0,0,0,0|0,0,3]=4 4975 B13R0.193 C#CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000731252 [0,1,0,0,0,0|1,0,2]=4 4976 B13R0.193 C#CCCCN(C)CCC(=O)OCC 269982a_100000745921_100011215417 [0,1,0,0,0,0|1,0,2]=4 4977 B13R0.193 C#CCCNC(C)CCC(=O)OCC 34a_100000755551_100000748298 [0,1,0,0,0,0|1,0,2]=4 4978 B13R0.193 C#CCCOC(C)CCC(=O)OCC 34a_100011215631_100000748298 [0,1,0,0,0,0|1,0,2]=4 4979 B13R0.193 C#CCCSC(C)CCC(=O)OCC 62a_100000688953_100000748298 [0,1,0,0,0,0|1,0,2]=4 4980 B13R0.193 C#CCCSC(C)CCC(=O)OCC 62a_100000748298_100000688953 [0,1,0,0,0,0|1,0,2]=4 4981 B13R0.193 C/C=C/COC(C)CCC(=O)OCC 34a_100016270725_100000748298 [0,1,0,0,0,0|1,0,2]=4 4982 B13R0.193 C/C=C/CSC(C)CCC(=O)OCC 62a_100000748298_100102629194 [0,1,0,0,0,0|1,0,2]=4 4983 B13R0.193 C/C=C/CSC(C)CCC(=O)OCC 62a_100102629194_100000748298 [0,1,0,0,0,0|1,0,2]=4 4984 B13R0.193 C=CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000210623 [0,1,0,0,0,0|1,0,2]=4 4985 B13R0.193 C=CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000757094 [0,1,0,0,0,0|0,0,3]=4 4986 B13R0.193 C=CCCCN(C)CCC(=O)OCC 2230a_100000745921_100011713584 [0,1,0,0,0,0|1,0,2]=4 4987 B13R0.193 C=CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000757094 [0,1,0,0,0,0|1,0,2]=4 4988 B13R0.193 C=CCCNC(C)CCC(=O)OCC 2230a_100015191253_100000748298 [0,1,0,0,0,0|1,0,2]=4 4989 B13R0.193 C=CCCOC(C)CCC(=O)OCC 34a_100011205117_100000748298 [0,1,0,0,0,0|1,0,2]=4 4990 B13R0.193 C=CCCSC(C)CCC(=O)OCC 62a_100000748298_100000754431 [0,1,0,0,0,0|1,0,2]=4 4991 B13R0.193 C=CCCSC(C)CCC(=O)OCC 62a_100000754431_100000748298 [0,1,0,0,0,0|1,0,2]=4 4992 B13R0.193 C=COC(=O)CNC(C)CCCCC 2230a_100000211957_100000036128 [0,1,0,0,0,0|1,0,2]=4 4993 B13R0.193 C=COC(=O)COC(C)CCCCC 34a_100011215632_100000036128 [0,1,0,0,0,0|1,0,2]=4 4994 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_100000036128_200011218191 [0,1,0,0,0,0|1,0,2]=4 4995 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_200011218191_100000036128 [0,1,0,0,0,0|1,0,2]=4 4996 B13R0.193 CC#CCNC(C)CCC(=O)OCC 2230a_100000685387_100000748298 [0,1,0,0,0,0|1,0,2]=4 4997 B13R0.193 CC#CCNC(C)CCC(=O)OCC 34a_100000685387_100000748298 [0,1,0,0,0,0|1,0,2]=4 4998 B13R0.193 CC#CCOC(C)CCC(=O)OCC 34a_100000761923_100000748298 [0,1,0,0,0,0|1,0,2]=4 4999 B13R0.193 CC#CCSC(C)CCC(=O)OCC 62a_100000748298_100000748600 [0,1,0,0,0,0|1,0,2]=4 5000 B13R0.193 CC#CCSC(C)CCC(=O)OCC 62a_100000748600_100000748298 [0,1,0,0,0,0|1,0,2]=4 5001 B13R0.193 CC/C=C\CC(=O)CCC(=O)OCC 1458a_100000183558_100103147603 [0,1,0,0,0,0|0,0,3]=4 5002 B13R0.193 CC/C=C\CN(C)CCC(=O)OCC 2230a_100000745921_100103147603 [0,1,0,0,0,0|1,0,2]=4 5003 B13R0.193 CC/C=C\CN(C)CCC(=O)OCC 269982a_100000745921_100103147603 [0,1,0,0,0,0|1,0,2]=4 5004 B13R0.193 CC=CCSC(C)CCC(=O)OCC 62a_100000070051_100000748298 [0,1,0,0,0,0|1,0,2]=4 5005 B13R0.193 CC=CCSC(C)CCC(=O)OCC 62a_100000748298_100000070051 [0,1,0,0,0,0|1,0,2]=4 5006 B13R0.193 CCC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100009813939 [0,1,0,0,0,0|0,0,3]=4 5007 B13R0.193 CCC#CCC(C)OCC(=O)OCC 34a_200000035118_100000188475 [0,1,0,0,0,0|1,0,2]=4 5008 B13R0.193 CCC#CCC(C)OCC(=O)OCC 7a_200000035118_100000188475 [0,1,0,0,0,0|1,0,2]=4 5009 B13R0.193 CCC#CCN(C)CCC(=O)OCC 2230a_100000745921_100009813939 [0,1,0,0,0,0|1,0,2]=4 5010 B13R0.193 CCCC(=O)COC(C)CCCOC 7a_200011539412_100000747444 [0,1,0,0,0,0|3,0,0]=4 5011 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,1,0,0,0,0|0,0,3]=4 5012 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,1,0,0,0,0|1,0,1]=3 5013 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,1,0,0,0,0|0,0,1]=2 5014 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,1,0,0,0,0|1,0,1]=3 5015 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,1,0,0,0,0|2,0,1]=4 5016 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,1,0,0,0,0|2,0,1]=4 5017 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,1,0,0,0,0|2,0,1]=4 5018 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,1,0,0,0,0|2,0,1]=4 5019 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,1,0,0,0,0|2,0,1]=4 5020 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,1,0,0,0,0|1,0,1]=3 5021 B13R0.193 CCCCCC(C)CCC(=O)CC#N 1458a_100000034243_100011214920 [0,1,0,0,0,0|2,0,1]=4 5022 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,1,0,0,0,0|1,0,0]=2 5023 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,1,0,0,0,0|2,0,0]=3 5024 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,1,0,0,0,0|2,0,0]=3 5025 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,1,0,0,0,0|1,0,0]=2 5026 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,1,0,0,0,0|1,0,0]=2 5027 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,1,0,0,0,0|1,0,0]=2 5028 B13R0.193 CCCCCC(C)CCC(=O)NNC 22a_100016993582_100000034243 [0,1,0,0,0,0|2,0,0]=3 5029 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [0,1,0,0,0,0|2,0,0]=3 5030 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [0,1,0,0,0,0|2,0,0]=3 5031 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [0,1,0,0,0,0|2,0,0]=3 5032 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [0,1,0,0,0,0|2,0,0]=3 5033 B13R0.193 CCCCCC(C)NCC(=O)NCO 2230a_100000211957_100000185155 [0,1,0,0,0,0|3,0,0]=4 5034 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,1,0,0,0,0|1,0,0]=2 5035 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,1,0,0,0,0|2,0,0]=3 5036 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [0,1,0,0,0,0|2,0,0]=3 5037 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [0,1,0,0,0,0|2,0,0]=3 5038 B13R0.193 CCCCCC(C)OCC(=O)NCO 34a_100011215632_100000185155 [0,1,0,0,0,0|3,0,0]=4 5039 B13R0.193 CCCCCC(C)OCC(=O)NCO 7a_100011215632_100000185155 [0,1,0,0,0,0|3,0,0]=4 5040 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,1,0,0,0,0|1,0,0]=2 5041 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,1,0,0,0,0|1,0,0]=2 5042 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [0,1,0,0,0,0|2,0,0]=3 5043 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [0,1,0,0,0,0|2,0,0]=3 5044 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [0,1,0,0,0,0|2,0,0]=3 5045 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [0,1,0,0,0,0|2,0,0]=3 5046 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218191 [0,1,0,0,0,0|3,0,0]=4 5047 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_200011218191_100000185155 [0,1,0,0,0,0|3,0,0]=4 5048 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,1,0,0,0,0|1,0,0]=2 5049 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,1,0,0,0,0|1,0,0]=2 5050 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [0,1,0,0,0,0|2,0,0]=3 5051 B13R0.193 CCCCCN(C)CCC(=O)CCF 1458a_100016987678_100011217306 [0,1,0,0,0,0|3,0,0]=4 5052 B13R0.193 CCCCCN(C)CCC(=O)CCO 1458a_100016987678_100000211926 [0,1,0,0,0,0|3,0,0]=4 5053 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [0,1,0,0,0,0|2,0,0]=3 5054 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [0,1,0,0,0,0|2,0,0]=3 5055 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [0,1,0,0,0,0|2,0,0]=3 5056 B13R0.193 CCCCCN(C)CCC(=O)NNC 22a_100016993582_100016987678 [0,1,0,0,0,0|3,0,0]=4 5057 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,1,0,0,0,0|1,0,0]=2 5058 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,1,0,0,0,0|1,0,0]=2 5059 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,1,0,0,0,0|1,0,0]=2 5060 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,1,0,0,0,0|1,0,0]=2 5061 B13R0.193 CCCCCN(C)COC(=O)CCC 2230a_100000223495_100000034017 [0,1,0,0,0,0|3,0,0]=4 5062 B13R0.193 CCCCCN(C)COC(=O)CCC 269982a_100000223495_100000034017 [0,1,0,0,0,0|3,0,0]=4 5063 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [0,1,0,0,0,0|2,0,1]=4 5064 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [0,1,0,0,0,0|2,0,1]=4 5065 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [0,1,0,0,0,0|2,0,1]=4 5066 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,1,0,0,0,0|1,0,1]=3 5067 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,1,0,0,0,0|1,0,1]=3 5068 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,1,0,0,0,0|1,0,1]=3 5069 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,1,0,0,0,0|2,0,1]=4 5070 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,1,0,0,0,0|2,0,1]=4 5071 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,1,0,0,0,0|2,0,1]=4 5072 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,1,0,0,0,0|2,0,1]=4 5073 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,1,0,0,0,0|1,0,0]=2 5074 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,1,0,0,0,0|1,0,0]=2 5075 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,1,0,0,0,0|1,0,0]=2 5076 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,1,0,0,0,0|1,0,0]=2 5077 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,1,0,0,0,0|1,0,0]=2 5078 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,1,0,0,0,0|1,0,0]=2 5079 B13R0.193 CCCNN=C(C)CCC(=O)OCC 4a_100000740057_100011212338 [0,1,0,0,0,0|2,0,1]=4 5080 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [0,1,0,0,0,0|2,0,1]=4 5081 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [0,1,0,0,0,0|2,0,1]=4 5082 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [0,1,0,0,0,0|2,0,1]=4 5083 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [0,1,0,0,0,0|2,0,1]=4 5084 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [0,1,0,0,0,0|2,0,1]=4 5085 B13R0.193 CCCSCC(C)NCC(=O)NCC 270004a_100016988866_100011343953 [0,1,0,0,0,0|3,0,0]=4 5086 B13R0.193 CCNC(=O)CCC(=O)CCCCF 1458a_100000199579_100000729493 [0,1,0,0,0,0|2,0,1]=4 5087 B13R0.193 CCNC(=O)CCC(=O)CCCCO 1458a_100000199579_100000210776 [0,1,0,0,0,0|2,0,1]=4 5088 B13R0.193 CCNC(=O)CCC(=O)CCCOC 1458a_100000199579_100000740836 [0,1,0,0,0,0|2,0,1]=4 5089 B13R0.193 CCNC(=O)CCC(=O)CCOCC 1458a_100000199579_100011215890 [0,1,0,0,0,0|2,0,1]=4 5090 B13R0.193 CCNC(=O)CCC(=O)CCSCC 1458a_100000199579_100000757381 [0,1,0,0,0,0|2,0,1]=4 5091 B13R0.193 CCNC(=O)CCN(C)CCCCO 2230a_100000717598_100000737597 [0,1,0,0,0,0|3,0,0]=4 5092 B13R0.193 CCNC(=O)CCN(C)CCCCO 269982a_100000717598_100000737597 [0,1,0,0,0,0|3,0,0]=4 5093 B13R0.193 CCNC(=O)CCN(C)CCCOC 2230a_100000224831_100000737597 [0,1,0,0,0,0|3,0,0]=4 5094 B13R0.193 CCNC(=O)CCN(C)CCCOC 269982a_100000224831_100000737597 [0,1,0,0,0,0|3,0,0]=4 5095 B13R0.193 CCNC(=O)CNC(C)CCCSC 270004a_100016988866_100011399439 [0,1,0,0,0,0|3,0,0]=4 5096 B13R0.193 CCNC(=O)CNC(C)CCOCC 270004a_100016988866_200011216536 [0,1,0,0,0,0|3,0,0]=4 5097 B13R0.193 CCNC(=O)COC(C)CCCOC 34a_200011539412_100000183381 [0,1,0,0,0,0|3,0,0]=4 5098 B13R0.193 CCNC(=O)COC(C)CCCOC 7a_200011539412_100000183381 [0,1,0,0,0,0|3,0,0]=4 5099 B13R0.193 CCOC(=O)CCC(=O)CCCC#N 1458a_100000183558_100000211468 [0,1,0,0,0,0|1,0,2]=4 5100 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,1,0,0,0,0|1,0,1]=3 5101 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,1,0,0,0,0|1,0,1]=3 5102 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,1,0,0,0,0|1,0,1]=3 5103 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,1,0,0,0,0|1,0,1]=3 5104 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [0,1,0,0,0,0|2,0,1]=4 5105 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [0,1,0,0,0,0|2,0,1]=4 5106 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [0,1,0,0,0,0|2,0,1]=4 5107 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [0,1,0,0,0,0|2,0,1]=4 5108 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [0,1,0,0,0,0|2,0,1]=4 5109 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [0,1,0,0,0,0|2,0,1]=4 5110 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [0,1,0,0,0,0|2,0,1]=4 5111 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [0,1,0,0,0,0|2,0,1]=4 5112 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [0,1,0,0,0,0|2,0,1]=4 5113 B13R0.193 CCOC(=O)CCC(C)NCCCF 2230a_100015189416_100000748298 [0,1,0,0,0,0|2,0,0]=3 5114 B13R0.193 CCOC(=O)CCC(C)NCCCF 34a_100015189416_100000748298 [0,1,0,0,0,0|2,0,0]=3 5115 B13R0.193 CCOC(=O)CCC(C)NCCOC 2230a_100000209980_100000748298 [0,1,0,0,0,0|2,0,0]=3 5116 B13R0.193 CCOC(=O)CCC(C)NCCSC 2230a_100020590264_100000748298 [0,1,0,0,0,0|2,0,0]=3 5117 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [0,1,0,0,0,0|2,0,0]=3 5118 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [0,1,0,0,0,0|2,0,0]=3 5119 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [0,1,0,0,0,0|2,0,0]=3 5120 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [0,1,0,0,0,0|2,0,0]=3 5121 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [0,1,0,0,0,0|2,0,0]=3 5122 B13R0.193 CCOC(=O)CCC(C)OCCON 34a_100000700252_100000748298 [0,1,0,0,0,0|3,0,0]=4 5123 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [0,1,0,0,0,0|2,0,0]=3 5124 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [0,1,0,0,0,0|2,0,0]=3 5125 B13R0.193 CCOC(=O)CCC(C)SCCC#N 62a_100000748298_100011215226 [0,1,0,0,0,0|2,0,1]=4 5126 B13R0.193 CCOC(=O)CCC(C)SCCC#N 62a_100011215226_100000748298 [0,1,0,0,0,0|2,0,1]=4 5127 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100000748298_100011934791 [0,1,0,0,0,0|2,0,0]=3 5128 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100011934791_100000748298 [0,1,0,0,0,0|2,0,0]=3 5129 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100000748298_100011215043 [0,1,0,0,0,0|2,0,0]=3 5130 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100011215043_100000748298 [0,1,0,0,0,0|2,0,0]=3 5131 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000233755_100000748298 [0,1,0,0,0,0|2,0,0]=3 5132 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000748298_100000233755 [0,1,0,0,0,0|2,0,0]=3 5133 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000212216_100000748298 [0,1,0,0,0,0|2,0,0]=3 5134 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000748298_100000751147 [0,1,0,0,0,0|2,0,0]=3 5135 B13R0.193 CCOC(=O)CCN(C)CCCC#N 2230a_100000745921_100000687738 [0,1,0,0,0,0|2,0,1]=4 5136 B13R0.193 CCOC(=O)CCN(C)CCCC#N 269982a_100000745921_100000687738 [0,1,0,0,0,0|2,0,1]=4 5137 B13R0.193 CCOC(=O)CCN(C)CCCC=O 2230a_100000745921_200011292268 [0,1,0,0,0,0|2,0,1]=4 5138 B13R0.193 CCOC(=O)CCN(C)CCCC=O 269982a_100000745921_200011292268 [0,1,0,0,0,0|2,0,1]=4 5139 B13R0.193 CCOC(=O)CCN(C)CCCCF 2230a_100000745921_100000729493 [0,1,0,0,0,0|2,0,0]=3 5140 B13R0.193 CCOC(=O)CCN(C)CCCCF 269982a_100000745921_100000729493 [0,1,0,0,0,0|2,0,0]=3 5141 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000717598_100011206558 [0,1,0,0,0,0|2,0,0]=3 5142 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000745921_100000210776 [0,1,0,0,0,0|2,0,0]=3 5143 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000717598_100011206558 [0,1,0,0,0,0|2,0,0]=3 5144 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000745921_100000210776 [0,1,0,0,0,0|2,0,0]=3 5145 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000224831_100011206558 [0,1,0,0,0,0|2,0,0]=3 5146 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000745921_100000740836 [0,1,0,0,0,0|2,0,0]=3 5147 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000224831_100011206558 [0,1,0,0,0,0|2,0,0]=3 5148 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000745921_100000740836 [0,1,0,0,0,0|2,0,0]=3 5149 B13R0.193 CCOC(=O)CCN(C)CCSCC 2230a_100000745921_100000757381 [0,1,0,0,0,0|2,0,0]=3 5150 B13R0.193 CCOC(=O)CCN(C)CCSCC 269982a_100000745921_100000757381 [0,1,0,0,0,0|2,0,0]=3 5151 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [0,1,0,0,0,0|2,0,1]=4 5152 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [0,1,0,0,0,0|2,0,1]=4 5153 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [0,1,0,0,0,0|2,0,1]=4 5154 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [0,1,0,0,0,0|2,0,1]=4 5155 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [0,1,0,0,0,0|2,0,0]=3 5156 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [0,1,0,0,0,0|2,0,0]=3 5157 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [0,1,0,0,0,0|2,0,1]=4 5158 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [0,1,0,0,0,0|2,0,1]=4 5159 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [0,1,0,0,0,0|2,0,1]=4 5160 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [0,1,0,0,0,0|2,0,1]=4 5161 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,1,0,0,0,0|1,0,1]=3 5162 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [0,1,0,0,0,0|2,0,1]=4 5163 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [0,1,0,0,0,0|2,0,1]=4 5164 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [0,1,0,0,0,0|2,0,0]=3 5165 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [0,1,0,0,0,0|2,0,0]=3 5166 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000739092_100000748298 [0,1,0,0,0,0|2,0,0]=3 5167 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000748298_100000739092 [0,1,0,0,0,0|2,0,0]=3 5168 B13R0.275 C#CCC(=O)C(C)CCCCCCC 1458a_100011220946_200011218727 [0,1,0,0,0,0|1,0,2]=4 5169 B13R0.275 C#CCCCCNC(C)C(=O)OCC 2230a_100000706060_100011215307 [0,1,0,0,0,0|1,0,2]=4 5170 B13R0.275 C#CCCCCNC(C)C(=O)OCC 34a_100000706060_100011216346 [0,1,0,0,0,0|1,0,2]=4 5171 B13R0.275 C#CCCCCNC(F)C(=O)OCC 2230a_100000706060_100000760018 [0,1,0,0,0,0|1,0,2]=4 5172 B13R0.275 C#CCCCCNC(F)C(=O)OCC 34a_100000706060_100000760018 [0,1,0,0,0,0|1,0,2]=4 5173 B13R0.275 C#CCCCCOC(C)C(=O)OCC 34a_100000766709_100011216346 [0,1,0,0,0,0|1,0,2]=4 5174 B13R0.275 C#CCCCCOC(C)C(=O)OCC 7a_100000766709_100011216346 [0,1,0,0,0,0|1,0,2]=4 5175 B13R0.275 C#CCCCCOC(F)C(=O)OCC 34a_100000766709_100000760018 [0,1,0,0,0,0|1,0,2]=4 5176 B13R0.275 C#CCCCCOC(F)C(=O)OCC 7a_100000766709_100000040065 [0,1,0,0,0,0|1,0,2]=4 5177 B13R0.275 C#CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100010269958 [0,1,0,0,0,0|1,0,2]=4 5178 B13R0.275 C#CCCCCSC(C)C(=O)OCC 62a_100010269958_100011216346 [0,1,0,0,0,0|1,0,2]=4 5179 B13R0.275 C#CCCCCSC(C)C(=O)OCC 62a_100011216346_100010269958 [0,1,0,0,0,0|1,0,2]=4 5180 B13R0.275 C#CCCCCSC(F)C(=O)OCC 62a_100000760018_100010269958 [0,1,0,0,0,0|1,0,2]=4 5181 B13R0.275 C#CCCCCSC(F)C(=O)OCC 62a_100010269958_100000760018 [0,1,0,0,0,0|1,0,2]=4 5182 B13R0.275 C=C(CNCCCCO)C(=O)OCC 34a_100000750430_100000755967 [0,1,0,0,0,0|2,0,1]=4 5183 B13R0.275 C=C(CNCCCOC)C(=O)OCC 34a_100150723488_100000755967 [0,1,0,0,0,0|2,0,1]=4 5184 B13R0.275 C=C(CNCCOCC)C(=O)OCC 34a_102516460346_100000755967 [0,1,0,0,0,0|2,0,1]=4 5185 B13R0.275 C=C(COCCCCBr)C(=O)OCC 34a_100011216708_100000755967 [0,1,0,0,0,0|2,0,1]=4 5186 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [0,1,0,0,0,0|1,0,1]=3 5187 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [0,1,0,0,0,0|1,0,1]=3 5188 B13R0.275 C=C(COCCCCCl)C(=O)OCC 34a_100000210776_100000755967 [0,1,0,0,0,0|2,0,1]=4 5189 B13R0.275 C=C(COCCCCCl)C(=O)OCC 7a_100000210776_100000755967 [0,1,0,0,0,0|2,0,1]=4 5190 B13R0.275 C=C(COCCCCF)C(=O)OCC 34a_100011995726_100000755967 [0,1,0,0,0,0|2,0,1]=4 5191 B13R0.275 C=C(COCCCCF)C(=O)OCC 7a_100011995726_100000755967 [0,1,0,0,0,0|2,0,1]=4 5192 B13R0.275 C=C(COCCCCI)C(=O)OCC 34a_200012148704_100000755967 [0,1,0,0,0,0|2,0,1]=4 5193 B13R0.275 C=C(COCCCCN)C(=O)OCC 34a_100000750430_100000755967 [0,1,0,0,0,0|2,0,1]=4 5194 B13R0.275 C=C(COCCCNC)C(=O)OCC 34a_100000213112_100000755967 [0,1,0,0,0,0|2,0,1]=4 5195 B13R0.275 C=C(COCCCOC)C(=O)OCC 34a_100000740835_100000755967 [0,1,0,0,0,0|2,0,1]=4 5196 B13R0.275 C=C(COCCCSC)C(=O)OCC 34a_100000690336_100000755967 [0,1,0,0,0,0|2,0,1]=4 5197 B13R0.275 C=C(COCCCSC)C(=O)OCC 7a_100000690336_100000755967 [0,1,0,0,0,0|2,0,1]=4 5198 B13R0.275 C=C(COCCOCC)C(=O)OCC 34a_100000210136_100000755967 [0,1,0,0,0,0|2,0,1]=4 5199 B13R0.275 C=C(COCCOCC)C(=O)OCC 7a_100000210136_100000755967 [0,1,0,0,0,0|2,0,1]=4 5200 B13R0.275 C=C(COCCSCC)C(=O)OCC 34a_100000212035_100000755967 [0,1,0,0,0,0|2,0,1]=4 5201 B13R0.275 C=C(COCCSCC)C(=O)OCC 7a_100000212035_100000755967 [0,1,0,0,0,0|2,0,1]=4 5202 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [0,1,0,0,0,0|1,0,1]=3 5203 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [0,1,0,0,0,0|1,0,1]=3 5204 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000729493_100000755967 [0,1,0,0,0,0|2,0,1]=4 5205 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000755967_100000729493 [0,1,0,0,0,0|2,0,1]=4 5206 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000210776_100000755967 [0,1,0,0,0,0|2,0,1]=4 5207 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000755967_100000210776 [0,1,0,0,0,0|2,0,1]=4 5208 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000709357_100000755967 [0,1,0,0,0,0|2,0,1]=4 5209 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000755967_100000709357 [0,1,0,0,0,0|2,0,1]=4 5210 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000210147_100000755967 [0,1,0,0,0,0|2,0,1]=4 5211 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000755967_100011215890 [0,1,0,0,0,0|2,0,1]=4 5212 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000755967_100000757381 [0,1,0,0,0,0|2,0,1]=4 5213 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000757381_100000755967 [0,1,0,0,0,0|2,0,1]=4 5214 B13R0.275 C=CCC(=O)C(C)CCCCCCC 1458a_100000210193_200011218727 [0,1,0,0,0,0|1,0,2]=4 5215 B13R0.275 C=CCCCCNC(C)C(=O)OCC 2230a_100000703577_100011215307 [0,1,0,0,0,0|1,0,2]=4 5216 B13R0.275 C=CCCCCNC(C)C(=O)OCC 34a_100000703577_100011216346 [0,1,0,0,0,0|1,0,2]=4 5217 B13R0.275 C=CCCCCNC(F)C(=O)OCC 2230a_100000703577_100000760018 [0,1,0,0,0,0|1,0,2]=4 5218 B13R0.275 C=CCCCCNC(F)C(=O)OCC 34a_100000703577_100000760018 [0,1,0,0,0,0|1,0,2]=4 5219 B13R0.275 C=CCCCCOC(C)C(=O)OCC 34a_100000766645_100011216346 [0,1,0,0,0,0|1,0,2]=4 5220 B13R0.275 C=CCCCCOC(C)C(=O)OCC 7a_100000766645_100011216346 [0,1,0,0,0,0|1,0,2]=4 5221 B13R0.275 C=CCCCCOC(F)C(=O)OCC 34a_100000766645_100000760018 [0,1,0,0,0,0|1,0,2]=4 5222 B13R0.275 C=CCCCCOC(F)C(=O)OCC 7a_100000766645_100000040065 [0,1,0,0,0,0|1,0,2]=4 5223 B13R0.275 C=CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215482 [0,1,0,0,0,0|1,0,2]=4 5224 B13R0.275 C=CCCCCSC(C)C(=O)OCC 62a_100011215482_100011216346 [0,1,0,0,0,0|1,0,2]=4 5225 B13R0.275 C=CCCCCSC(C)C(=O)OCC 62a_100011216346_100011215482 [0,1,0,0,0,0|1,0,2]=4 5226 B13R0.275 C=CCCCCSC(F)C(=O)OCC 62a_100000760018_100011215482 [0,1,0,0,0,0|1,0,2]=4 5227 B13R0.275 C=CCCCCSC(F)C(=O)OCC 62a_100011215482_100000760018 [0,1,0,0,0,0|1,0,2]=4 5228 B13R0.275 CC#CC(=O)C(C)CCCCCCC 1458a_100000763181_200011218727 [0,1,0,0,0,0|1,0,1]=3 5229 B13R0.275 CC/C=C(\C)/C(=O)CCCCCCC 1458a_100016988807_100000210614 [0,1,0,0,0,0|2,0,1]=4 5230 B13R0.275 CC/C=C\CCOC(C)C(=O)OCC 34a_100016288707_100011216346 [0,1,0,0,0,0|1,0,2]=4 5231 B13R0.275 CC/C=C\CCOC(C)C(=O)OCC 7a_100016288707_100011216346 [0,1,0,0,0,0|1,0,2]=4 5232 B13R0.275 CC/C=C\CCOC(F)C(=O)OCC 34a_100016288707_100000760018 [0,1,0,0,0,0|1,0,2]=4 5233 B13R0.275 CC/C=C\CCOC(F)C(=O)OCC 7a_100016288707_100000040065 [0,1,0,0,0,0|1,0,2]=4 5234 B13R0.275 CC/C=C\CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015370543 [0,1,0,0,0,0|1,0,2]=4 5235 B13R0.275 CC/C=C\CCSC(C)C(=O)OCC 62a_100011216346_100015370543 [0,1,0,0,0,0|1,0,2]=4 5236 B13R0.275 CC/C=C\CCSC(C)C(=O)OCC 62a_100015370543_100011216346 [0,1,0,0,0,0|1,0,2]=4 5237 B13R0.275 CC/C=C\CCSC(F)C(=O)OCC 62a_100000760018_100015370543 [0,1,0,0,0,0|1,0,2]=4 5238 B13R0.275 CC/C=C\CCSC(F)C(=O)OCC 62a_100015370543_100000760018 [0,1,0,0,0,0|1,0,2]=4 5239 B13R0.275 CC=CC(=O)C(C)CCCCCCC 1458a_100000210699_200011218727 [0,1,0,0,0,0|1,0,1]=3 5240 B13R0.275 CC=CC(=O)N(C)CCCCCCC 11a_100000228206_100000210699 [0,1,0,0,0,0|2,0,1]=4 5241 B13R0.275 CC=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000210699 [0,1,0,0,0,0|2,0,1]=4 5242 B13R0.275 CC=CC(=O)N(C)CCCCCCC 240690a_100000228206_100000210699 [0,1,0,0,0,0|2,0,1]=4 5243 B13R0.275 CC=CCCCOC(C)C(=O)OCC 34a_100020645299_100011216346 [0,1,0,0,0,0|1,0,2]=4 5244 B13R0.275 CC=CCCCOC(F)C(=O)OCC 34a_100020645299_100000760018 [0,1,0,0,0,0|1,0,2]=4 5245 B13R0.275 CCC#CCCOC(C)C(=O)OCC 34a_100000036655_100011216346 [0,1,0,0,0,0|1,0,2]=4 5246 B13R0.275 CCC#CCCOC(C)C(=O)OCC 7a_100000036655_100011216346 [0,1,0,0,0,0|1,0,2]=4 5247 B13R0.275 CCC#CCCOC(F)C(=O)OCC 34a_100000036655_100000760018 [0,1,0,0,0,0|1,0,2]=4 5248 B13R0.275 CCC#CCCOC(F)C(=O)OCC 7a_100000036655_100000040065 [0,1,0,0,0,0|1,0,2]=4 5249 B13R0.275 CCC/C=C/COC(C)C(=O)OCC 34a_100016278788_100011216346 [0,1,0,0,0,0|1,0,2]=4 5250 B13R0.275 CCC/C=C/COC(C)C(=O)OCC 7a_100016278788_100011216346 [0,1,0,0,0,0|1,0,2]=4 5251 B13R0.275 CCC/C=C/COC(F)C(=O)OCC 34a_100016278788_100000760018 [0,1,0,0,0,0|1,0,2]=4 5252 B13R0.275 CCC/C=C/COC(F)C(=O)OCC 7a_100016278788_100000040065 [0,1,0,0,0,0|1,0,2]=4 5253 B13R0.275 CCCC#CCOC(C)C(=O)OCC 34a_100000034806_100011216346 [0,1,0,0,0,0|1,0,2]=4 5254 B13R0.275 CCCC#CCOC(C)C(=O)OCC 7a_100000034806_100011216346 [0,1,0,0,0,0|1,0,2]=4 5255 B13R0.275 CCCC#CCOC(F)C(=O)OCC 34a_100000034806_100000760018 [0,1,0,0,0,0|1,0,2]=4 5256 B13R0.275 CCCC#CCOC(F)C(=O)OCC 7a_100000034806_100000040065 [0,1,0,0,0,0|1,0,2]=4 5257 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,1,0,0,0,0|1,0,1]=3 5258 B13R0.275 CCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210614 [0,1,0,0,0,0|1,0,2]=4 5259 B13R0.275 CCCCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218727 [0,1,0,0,0,0|2,0,1]=4 5260 B13R0.275 CCCCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218727 [0,1,0,0,0,0|2,0,1]=4 5261 B13R0.275 CCCCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218727 [0,1,0,0,0,0|2,0,1]=4 5262 B13R0.275 CCCCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218727 [0,1,0,0,0,0|2,0,1]=4 5263 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,1,0,0,0,0|1,0,0]=2 5264 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [0,1,0,0,0,0|2,0,0]=3 5265 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [0,1,0,0,0,0|2,0,0]=3 5266 B13R0.275 CCCCCCCC(C)C(=O)CSC 1458a_100000184570_200011218727 [0,1,0,0,0,0|2,0,0]=3 5267 B13R0.275 CCCCCCCC(C)N(C)CCC 2230a_100000747261_200011218727 [0,1,0,0,0,0|3,0,0]=4 5268 B13R0.275 CCCCCCCC(C)N(C)CCC 269982a_100000747261_200011218727 [0,1,0,0,0,0|3,0,0]=4 5269 B13R0.275 CCCCCCCC(C)N(C)CCC 270004a_100000747261_100000210596 [0,1,0,0,0,0|3,0,0]=4 5270 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [0,1,0,0,0,0|2,0,0]=3 5271 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [0,1,0,0,0,0|2,0,0]=3 5272 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [0,1,0,0,0,0|2,0,0]=3 5273 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [0,1,0,0,0,0|2,0,0]=3 5274 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [0,1,0,0,0,0|3,0,0]=4 5275 B13R0.275 CCCCCCCN(C)C(=O)COC 11a_100000228206_100000210968 [0,1,0,0,0,0|3,0,0]=4 5276 B13R0.275 CCCCCCCN(C)C(=O)COC 1626a_100000228206_100000210968 [0,1,0,0,0,0|3,0,0]=4 5277 B13R0.275 CCCCCCCN(C)C(=O)COC 240690a_100000228206_100000210968 [0,1,0,0,0,0|3,0,0]=4 5278 B13R0.275 CCCCCCCN(C)C(=O)COC 527a_100000228206_100000210968 [0,1,0,0,0,0|3,0,0]=4 5279 B13R0.275 CCCCCCCN(C)C(=O)CSC 11a_100000228206_100000184570 [0,1,0,0,0,0|3,0,0]=4 5280 B13R0.275 CCCCCCCN(C)C(=O)CSC 1626a_100000228206_100000184570 [0,1,0,0,0,0|3,0,0]=4 5281 B13R0.275 CCCCCCCN(C)C(=O)CSC 240690a_100000228206_100000184570 [0,1,0,0,0,0|3,0,0]=4 5282 B13R0.275 CCCCCCCN(C)C(=O)CSC 527a_100000228206_100000184570 [0,1,0,0,0,0|3,0,0]=4 5283 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [0,1,0,0,0,0|2,0,0]=3 5284 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [0,1,0,0,0,0|2,0,0]=3 5285 B13R0.275 CCCCCCNC(=O)C(=O)NCC 1626a_100000210581_200011297158 [0,1,0,0,0,0|2,0,1]=4 5286 B13R0.275 CCCCCCNC(=O)C(=O)NCC 240690a_100000210581_200011297158 [0,1,0,0,0,0|2,0,1]=4 5287 B13R0.275 CCCCCCNC(=O)C(=O)NCC 527a_100000210581_200011297158 [0,1,0,0,0,0|2,0,1]=4 5288 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [0,1,0,0,0,0|1,0,1]=3 5289 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [0,1,0,0,0,0|1,0,1]=3 5290 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [0,1,0,0,0,0|1,0,1]=3 5291 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000210581_100000230173 [0,1,0,0,0,0|2,0,0]=3 5292 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210314 [0,1,0,0,0,0|2,0,0]=3 5293 B13R0.275 CCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210314 [0,1,0,0,0,0|2,0,0]=3 5294 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [0,1,0,0,0,0|1,0,0]=2 5295 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [0,1,0,0,0,0|1,0,0]=2 5296 B13R0.275 CCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210314 [0,1,0,0,0,0|1,1,0]=3 5297 B13R0.275 CCCCCCOC(C)C(=O)NCC 34a_100000210259_100000230173 [0,1,0,0,0,0|2,0,0]=3 5298 B13R0.275 CCCCCCOC(C)C(=O)NCC 7a_100000210259_100000230173 [0,1,0,0,0,0|2,0,0]=3 5299 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [0,1,0,0,0,0|1,0,0]=2 5300 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [0,1,0,0,0,0|1,0,0]=2 5301 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [0,1,0,0,0,0|1,0,0]=2 5302 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [0,1,0,0,0,0|1,0,0]=2 5303 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [0,1,0,0,0,0|1,0,0]=2 5304 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000210314_100000230173 [0,1,0,0,0,0|2,0,0]=3 5305 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210757 [0,1,0,0,0,0|2,0,0]=3 5306 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [0,1,0,0,0,0|1,0,0]=2 5307 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [0,1,0,0,0,0|1,0,0]=2 5308 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [0,1,0,0,0,0|1,0,0]=2 5309 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [0,1,0,0,0,0|1,0,0]=2 5310 B13R0.275 CCCCCNN=C(C)C(=O)OCC 4a_100000694160_100000209952 [0,1,0,0,0,0|2,0,1]=4 5311 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [0,1,0,0,0,0|1,0,1]=3 5312 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [0,1,0,0,0,0|1,0,1]=3 5313 B13R0.275 CCCCOCCC(=O)C(=O)NCC 1458a_200011297158_100000743108 [0,1,0,0,0,0|2,0,1]=4 5314 B13R0.275 CCCCOCNC(C)C(=O)NCC 2230a_100000736553_100011995733 [0,1,0,0,0,0|3,0,0]=4 5315 B13R0.275 CCCCOCNC(C)C(=O)NCC 34a_100000736553_100011995733 [0,1,0,0,0,0|3,0,0]=4 5316 B13R0.275 CCCCOCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011995733 [0,1,0,0,0,0|2,1,0]=4 5317 B13R0.275 CCCCOCSC(C)C(=O)NCC 62a_100000230173_100011995733 [0,1,0,0,0,0|3,0,0]=4 5318 B13R0.275 CCCCOCSC(C)C(=O)NCC 62a_100011995733_100000230173 [0,1,0,0,0,0|3,0,0]=4 5319 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011216346_100011995733 [0,1,0,0,0,0|2,0,0]=3 5320 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011995733_100011216346 [0,1,0,0,0,0|2,0,0]=3 5321 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100000760018_100011995733 [0,1,0,0,0,0|2,0,0]=3 5322 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100011995733_100000760018 [0,1,0,0,0,0|2,0,0]=3 5323 B13R0.275 CCCOCCNC(=O)C(=O)OCC 1626a_100161115042_100014798877 [0,1,0,0,0,0|2,0,1]=4 5324 B13R0.275 CCCOCCNC(=O)C(=O)OCC 240690a_100161115042_100014798877 [0,1,0,0,0,0|2,0,1]=4 5325 B13R0.275 CCCOCCNC(C)C(=O)NCC 2230a_100000736553_100011215938 [0,1,0,0,0,0|3,0,0]=4 5326 B13R0.275 CCCOCCNC(C)C(=O)NCC 2230a_100161115042_100000230173 [0,1,0,0,0,0|3,0,0]=4 5327 B13R0.275 CCCOCCNC(C)C(=O)NCC 34a_100000736553_100011215938 [0,1,0,0,0,0|3,0,0]=4 5328 B13R0.275 CCCOCCNC(C)C(=O)NCC 34a_100161115042_100000230173 [0,1,0,0,0,0|3,0,0]=4 5329 B13R0.275 CCCOCCNC(C)C(=O)OCC 2230a_100161115042_100011215307 [0,1,0,0,0,0|2,0,0]=3 5330 B13R0.275 CCCOCCNC(C)C(=O)OCC 34a_100161115042_100011216346 [0,1,0,0,0,0|2,0,0]=3 5331 B13R0.275 CCCOCCNC(F)C(=O)OCC 2230a_100161115042_100000760018 [0,1,0,0,0,0|2,0,0]=3 5332 B13R0.275 CCCOCCNC(F)C(=O)OCC 34a_100161115042_100000760018 [0,1,0,0,0,0|2,0,0]=3 5333 B13R0.275 CCCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011215938 [0,1,0,0,0,0|2,1,0]=4 5334 B13R0.275 CCCOCCOC(C)C(=O)NCC 34a_100000752267_100000230173 [0,1,0,0,0,0|3,0,0]=4 5335 B13R0.275 CCCOCCOC(C)C(=O)NCC 7a_100000752267_100000230173 [0,1,0,0,0,0|3,0,0]=4 5336 B13R0.275 CCCOCCOC(C)C(=O)OCC 34a_100000752267_100011216346 [0,1,0,0,0,0|2,0,0]=3 5337 B13R0.275 CCCOCCOC(C)C(=O)OCC 7a_100000752267_100011216346 [0,1,0,0,0,0|2,0,0]=3 5338 B13R0.275 CCCOCCOC(F)C(=O)OCC 34a_100000752267_100000760018 [0,1,0,0,0,0|2,0,0]=3 5339 B13R0.275 CCCOCCOC(F)C(=O)OCC 7a_100000752267_100000040065 [0,1,0,0,0,0|2,0,0]=3 5340 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215938 [0,1,0,0,0,0|2,0,0]=3 5341 B13R0.275 CCCOCCSC(C)C(=O)NCC 62a_100000230173_100011215938 [0,1,0,0,0,0|3,0,0]=4 5342 B13R0.275 CCCOCCSC(C)C(=O)NCC 62a_100011215938_100000230173 [0,1,0,0,0,0|3,0,0]=4 5343 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011215938_100011216346 [0,1,0,0,0,0|2,0,0]=3 5344 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011216346_100011215938 [0,1,0,0,0,0|2,0,0]=3 5345 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100000760018_100011215938 [0,1,0,0,0,0|2,0,0]=3 5346 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100011215938_100000760018 [0,1,0,0,0,0|2,0,0]=3 5347 B13R0.275 CCCSCCNC(=O)C(=O)OCC 11a_100020603323_100014798877 [0,1,0,0,0,0|2,0,1]=4 5348 B13R0.275 CCCSCCNC(=O)C(=O)OCC 240690a_100020603323_100014798877 [0,1,0,0,0,0|2,0,1]=4 5349 B13R0.275 CCCSCCNC(C)C(=O)NCC 2230a_100020603323_100000230173 [0,1,0,0,0,0|3,0,0]=4 5350 B13R0.275 CCCSCCNC(C)C(=O)OCC 2230a_100020603323_100011215307 [0,1,0,0,0,0|2,0,0]=3 5351 B13R0.275 CCCSCCNC(F)C(=O)OCC 2230a_100020603323_100000760018 [0,1,0,0,0,0|2,0,0]=3 5352 B13R0.275 CCCSCCOC(C)C(=O)NCC 34a_200000230433_100000230173 [0,1,0,0,0,0|3,0,0]=4 5353 B13R0.275 CCCSCCOC(C)C(=O)NCC 7a_200000230433_100000230173 [0,1,0,0,0,0|3,0,0]=4 5354 B13R0.275 CCCSCCOC(C)C(=O)OCC 34a_200000230433_100011216346 [0,1,0,0,0,0|2,0,0]=3 5355 B13R0.275 CCCSCCOC(C)C(=O)OCC 7a_200000230433_100011216346 [0,1,0,0,0,0|2,0,0]=3 5356 B13R0.275 CCCSCCOC(F)C(=O)OCC 34a_200000230433_100000760018 [0,1,0,0,0,0|2,0,0]=3 5357 B13R0.275 CCCSCCOC(F)C(=O)OCC 7a_200000230433_100000040065 [0,1,0,0,0,0|2,0,0]=3 5358 B13R0.275 CCNC(=O)C(=O)CCCCCCF 1458a_200011297158_100015922095 [0,1,0,0,0,0|2,0,1]=4 5359 B13R0.275 CCNC(=O)C(=O)CCCCCCO 1458a_200011297158_100000766143 [0,1,0,0,0,0|2,0,1]=4 5360 B13R0.275 CCNC(=O)C(C)NCCCCCF 2230a_100000736553_100000729378 [0,1,0,0,0,0|3,0,0]=4 5361 B13R0.275 CCNC(=O)C(C)NCCCCCF 34a_100000736553_100000729378 [0,1,0,0,0,0|3,0,0]=4 5362 B13R0.275 CCNC(=O)C(C)NCCCCCO 2230a_100000736553_100000746330 [0,1,0,0,0,0|3,0,0]=4 5363 B13R0.275 CCNC(=O)C(C)NCCCCCO 2230a_100000762737_100000230173 [0,1,0,0,0,0|3,0,0]=4 5364 B13R0.275 CCNC(=O)C(C)NCCCCCO 34a_100000736553_100000746330 [0,1,0,0,0,0|3,0,0]=4 5365 B13R0.275 CCNC(=O)C(C)NCCCCCO 34a_100000762737_100000230173 [0,1,0,0,0,0|3,0,0]=4 5366 B13R0.275 CCNC(=O)C(C)NCCCCOC 2230a_100000736553_100000730899 [0,1,0,0,0,0|3,0,0]=4 5367 B13R0.275 CCNC(=O)C(C)NCCCCOC 34a_100000736553_100000755781 [0,1,0,0,0,0|3,0,0]=4 5368 B13R0.275 CCNC(=O)C(C)NCCCOCC 2230a_100000210961_100000230173 [0,1,0,0,0,0|3,0,0]=4 5369 B13R0.275 CCNC(=O)C(C)NCCCOCC 2230a_100000736553_100012232248 [0,1,0,0,0,0|3,0,0]=4 5370 B13R0.275 CCNC(=O)C(C)NCCCOCC 34a_100000210961_100000230173 [0,1,0,0,0,0|3,0,0]=4 5371 B13R0.275 CCNC(=O)C(C)NCCCOCC 34a_100000736553_100012232248 [0,1,0,0,0,0|3,0,0]=4 5372 B13R0.275 CCNC(=O)C(C)OCCCCCBr 34a_100000746331_100000230173 [0,1,0,0,0,0|3,0,0]=4 5373 B13R0.275 CCNC(=O)C(C)OCCCCCBr 7a_100000746331_100000230173 [0,1,0,0,0,0|3,0,0]=4 5374 B13R0.275 CCNC(=O)C(C)OCCCCCCl 34a_100000746330_100000230173 [0,1,0,0,0,0|3,0,0]=4 5375 B13R0.275 CCNC(=O)C(C)OCCCCCCl 7a_100000746330_100000230173 [0,1,0,0,0,0|3,0,0]=4 5376 B13R0.275 CCNC(=O)C(C)OCCCCCI 34a_200012148887_100000230173 [0,1,0,0,0,0|3,0,0]=4 5377 B13R0.275 CCNC(=O)C(C)OCCCCCI 7a_200012148887_100000230173 [0,1,0,0,0,0|3,0,0]=4 5378 B13R0.275 CCNC(=O)C(C)OCCCCCN 34a_100000762737_100000230173 [0,1,0,0,0,0|3,0,0]=4 5379 B13R0.275 CCNC(=O)C(C)OCCCCOC 34a_100000740925_100000230173 [0,1,0,0,0,0|3,0,0]=4 5380 B13R0.275 CCNC(=O)C(C)OCCCCSC 34a_100011217163_100000230173 [0,1,0,0,0,0|3,0,0]=4 5381 B13R0.275 CCNC(=O)C(C)OCCCCSC 7a_100011217163_100000230173 [0,1,0,0,0,0|3,0,0]=4 5382 B13R0.275 CCNC(=O)C(C)OCCCOCC 34a_100000757476_100000230173 [0,1,0,0,0,0|3,0,0]=4 5383 B13R0.275 CCNC(=O)C(C)OCCCOCC 7a_100000757476_100000230173 [0,1,0,0,0,0|3,0,0]=4 5384 B13R0.275 CCNC(=O)C(C)OCCCSCC 34a_100011216438_100000230173 [0,1,0,0,0,0|3,0,0]=4 5385 B13R0.275 CCNC(=O)C(C)OCCCSCC 7a_100011216438_100000230173 [0,1,0,0,0,0|3,0,0]=4 5386 B13R0.275 CCNC(=O)C(C)SCCCCCF 62a_100000230173_100000729378 [0,1,0,0,0,0|3,0,0]=4 5387 B13R0.275 CCNC(=O)C(C)SCCCCCF 62a_100000729378_100000230173 [0,1,0,0,0,0|3,0,0]=4 5388 B13R0.275 CCNC(=O)C(C)SCCCCCO 62a_100000230173_100000746330 [0,1,0,0,0,0|3,0,0]=4 5389 B13R0.275 CCNC(=O)C(C)SCCCCCO 62a_100000746330_100000230173 [0,1,0,0,0,0|3,0,0]=4 5390 B13R0.275 CCNC(=O)C(C)SCCCCOC 62a_100000230173_100000730899 [0,1,0,0,0,0|3,0,0]=4 5391 B13R0.275 CCNC(=O)C(C)SCCCCOC 62a_100000730899_100000230173 [0,1,0,0,0,0|3,0,0]=4 5392 B13R0.275 CCNC(=O)C(C)SCCCOCC 62a_100000230173_100012232248 [0,1,0,0,0,0|3,0,0]=4 5393 B13R0.275 CCNC(=O)C(C)SCCCOCC 62a_100012232248_100000230173 [0,1,0,0,0,0|3,0,0]=4 5394 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [0,1,0,0,0,0|1,0,1]=3 5395 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [0,1,0,0,0,0|1,0,1]=3 5396 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [0,1,0,0,0,0|1,0,1]=3 5397 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000211299_100000729493 [0,1,0,0,0,0|2,0,1]=4 5398 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000729493_100000211299 [0,1,0,0,0,0|2,0,1]=4 5399 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000210776_100000211299 [0,1,0,0,0,0|2,0,1]=4 5400 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000211299_100000210776 [0,1,0,0,0,0|2,0,1]=4 5401 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000211299_100000709357 [0,1,0,0,0,0|2,0,1]=4 5402 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000709357_100000211299 [0,1,0,0,0,0|2,0,1]=4 5403 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000211299_100000757381 [0,1,0,0,0,0|2,0,1]=4 5404 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000757381_100000211299 [0,1,0,0,0,0|2,0,1]=4 5405 B13R0.275 CCOC(=O)C(=O)NCCCCCO 240690a_100000762737_100014798877 [0,1,0,0,0,0|2,0,1]=4 5406 B13R0.275 CCOC(=O)C(C)NCCCCCO 2230a_100000762737_100011215307 [0,1,0,0,0,0|2,0,0]=3 5407 B13R0.275 CCOC(=O)C(C)NCCCCCO 34a_100000762737_100011216346 [0,1,0,0,0,0|2,0,0]=3 5408 B13R0.275 CCOC(=O)C(C)NCCOCCO 2230a_100000211614_100011215307 [0,1,0,0,0,0|3,0,0]=4 5409 B13R0.275 CCOC(=O)C(C)NCCOCCO 34a_100000211614_100011216346 [0,1,0,0,0,0|3,0,0]=4 5410 B13R0.275 CCOC(=O)C(C)NCCSCCO 2230a_100011219999_100011215307 [0,1,0,0,0,0|3,0,0]=4 5411 B13R0.275 CCOC(=O)C(C)OCCCCCBr 34a_100000746331_100011216346 [0,1,0,0,0,0|2,0,0]=3 5412 B13R0.275 CCOC(=O)C(C)OCCCCCBr 7a_100000746331_100011216346 [0,1,0,0,0,0|2,0,0]=3 5413 B13R0.275 CCOC(=O)C(C)OCCCCCCl 34a_100000746330_100011216346 [0,1,0,0,0,0|2,0,0]=3 5414 B13R0.275 CCOC(=O)C(C)OCCCCCCl 7a_100000746330_100011216346 [0,1,0,0,0,0|2,0,0]=3 5415 B13R0.275 CCOC(=O)C(C)OCCCCCI 34a_200012148887_100011216346 [0,1,0,0,0,0|2,0,0]=3 5416 B13R0.275 CCOC(=O)C(C)OCCCCCI 7a_200012148887_100011216346 [0,1,0,0,0,0|2,0,0]=3 5417 B13R0.275 CCOC(=O)C(C)OCCCCCN 34a_100000762737_100011216346 [0,1,0,0,0,0|2,0,0]=3 5418 B13R0.275 CCOC(=O)C(C)OCCCCOC 34a_100000740925_100011216346 [0,1,0,0,0,0|2,0,0]=3 5419 B13R0.275 CCOC(=O)C(C)OCCCCSC 34a_100011217163_100011216346 [0,1,0,0,0,0|2,0,0]=3 5420 B13R0.275 CCOC(=O)C(C)OCCCCSC 7a_100011217163_100011216346 [0,1,0,0,0,0|2,0,0]=3 5421 B13R0.275 CCOC(=O)C(C)OCCCSCC 34a_100011216438_100011216346 [0,1,0,0,0,0|2,0,0]=3 5422 B13R0.275 CCOC(=O)C(C)OCCCSCC 7a_100011216438_100011216346 [0,1,0,0,0,0|2,0,0]=3 5423 B13R0.275 CCOC(=O)C(C)OCCOCCBr 34a_100000692535_100011216346 [0,1,0,0,0,0|3,0,0]=4 5424 B13R0.275 CCOC(=O)C(C)OCCOCCBr 7a_100000692535_100011216346 [0,1,0,0,0,0|3,0,0]=4 5425 B13R0.275 CCOC(=O)C(C)OCCOCCCl 34a_100011215305_100011216346 [0,1,0,0,0,0|3,0,0]=4 5426 B13R0.275 CCOC(=O)C(C)OCCOCCCl 7a_100011215305_100011216346 [0,1,0,0,0,0|3,0,0]=4 5427 B13R0.275 CCOC(=O)C(C)OCCOCCF 34a_200015357709_100011216346 [0,1,0,0,0,0|3,0,0]=4 5428 B13R0.275 CCOC(=O)C(C)OCCOCCF 7a_200015357709_100011216346 [0,1,0,0,0,0|3,0,0]=4 5429 B13R0.275 CCOC(=O)C(C)OCCOCCI 34a_100012149058_100011216346 [0,1,0,0,0,0|3,0,0]=4 5430 B13R0.275 CCOC(=O)C(C)OCCOCCI 7a_100012149058_100011216346 [0,1,0,0,0,0|3,0,0]=4 5431 B13R0.275 CCOC(=O)C(C)OCCOCCN 34a_100000211614_100011216346 [0,1,0,0,0,0|3,0,0]=4 5432 B13R0.275 CCOC(=O)C(C)SCCCCC#N 62a_100011216346_100000211819 [0,1,0,0,0,0|2,0,1]=4 5433 B13R0.275 CCOC(=O)C(C)SCCCCC#N 62a_100011219923_100011216346 [0,1,0,0,0,0|2,0,1]=4 5434 B13R0.275 CCOC(=O)C(C)SCCCCC=O 62a_100000139335_100011216346 [0,1,0,0,0,0|2,0,1]=4 5435 B13R0.275 CCOC(=O)C(C)SCCCCC=O 62a_100011216346_100000139335 [0,1,0,0,0,0|2,0,1]=4 5436 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100000729378_100011216346 [0,1,0,0,0,0|2,0,0]=3 5437 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100011216346_100000729378 [0,1,0,0,0,0|2,0,0]=3 5438 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100000746330_100011216346 [0,1,0,0,0,0|2,0,0]=3 5439 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100011216346_100000746330 [0,1,0,0,0,0|2,0,0]=3 5440 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100000730899_100011216346 [0,1,0,0,0,0|2,0,0]=3 5441 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100011216346_100000730899 [0,1,0,0,0,0|2,0,0]=3 5442 B13R0.275 CCOC(=O)C(C)SCCOCCO 62a_100011215305_100011216346 [0,1,0,0,0,0|3,0,0]=4 5443 B13R0.275 CCOC(=O)C(C)SCCOCCO 62a_100011216346_100011215305 [0,1,0,0,0,0|3,0,0]=4 5444 B13R0.275 CCOC(=O)C(C)SCOCCOC 62a_100000231047_100011216346 [0,1,0,0,0,0|3,0,0]=4 5445 B13R0.275 CCOC(=O)C(C)SCOCCOC 62a_100011216346_100000231047 [0,1,0,0,0,0|3,0,0]=4 5446 B13R0.275 CCOC(=O)C(F)NCCCCCO 2230a_100000762737_100000760018 [0,1,0,0,0,0|2,0,0]=3 5447 B13R0.275 CCOC(=O)C(F)NCCCCCO 34a_100000762737_100000760018 [0,1,0,0,0,0|2,0,0]=3 5448 B13R0.275 CCOC(=O)C(F)NCCOCCO 2230a_100000211614_100000760018 [0,1,0,0,0,0|3,0,0]=4 5449 B13R0.275 CCOC(=O)C(F)NCCOCCO 34a_100000211614_100000760018 [0,1,0,0,0,0|3,0,0]=4 5450 B13R0.275 CCOC(=O)C(F)NCCSCCO 2230a_100011219999_100000760018 [0,1,0,0,0,0|3,0,0]=4 5451 B13R0.275 CCOC(=O)C(F)OCCCCCBr 34a_100000746331_100000760018 [0,1,0,0,0,0|2,0,0]=3 5452 B13R0.275 CCOC(=O)C(F)OCCCCCBr 7a_100000746331_100000040065 [0,1,0,0,0,0|2,0,0]=3 5453 B13R0.275 CCOC(=O)C(F)OCCCCCCl 34a_100000746330_100000760018 [0,1,0,0,0,0|2,0,0]=3 5454 B13R0.275 CCOC(=O)C(F)OCCCCCCl 7a_100000746330_100000040065 [0,1,0,0,0,0|2,0,0]=3 5455 B13R0.275 CCOC(=O)C(F)OCCCCCI 34a_200012148887_100000760018 [0,1,0,0,0,0|2,0,0]=3 5456 B13R0.275 CCOC(=O)C(F)OCCCCCI 7a_200012148887_100000040065 [0,1,0,0,0,0|2,0,0]=3 5457 B13R0.275 CCOC(=O)C(F)OCCCCCN 34a_100000762737_100000760018 [0,1,0,0,0,0|2,0,0]=3 5458 B13R0.275 CCOC(=O)C(F)OCCCCOC 34a_100000740925_100000760018 [0,1,0,0,0,0|2,0,0]=3 5459 B13R0.275 CCOC(=O)C(F)OCCCCSC 34a_100011217163_100000760018 [0,1,0,0,0,0|2,0,0]=3 5460 B13R0.275 CCOC(=O)C(F)OCCCCSC 7a_100011217163_100000040065 [0,1,0,0,0,0|2,0,0]=3 5461 B13R0.275 CCOC(=O)C(F)OCCCSCC 34a_100011216438_100000760018 [0,1,0,0,0,0|2,0,0]=3 5462 B13R0.275 CCOC(=O)C(F)OCCCSCC 7a_100011216438_100000040065 [0,1,0,0,0,0|2,0,0]=3 5463 B13R0.275 CCOC(=O)C(F)OCCOCCBr 34a_100000692535_100000760018 [0,1,0,0,0,0|3,0,0]=4 5464 B13R0.275 CCOC(=O)C(F)OCCOCCBr 7a_100000692535_100000040065 [0,1,0,0,0,0|3,0,0]=4 5465 B13R0.275 CCOC(=O)C(F)OCCOCCCl 34a_100011215305_100000760018 [0,1,0,0,0,0|3,0,0]=4 5466 B13R0.275 CCOC(=O)C(F)OCCOCCCl 7a_100011215305_100000040065 [0,1,0,0,0,0|3,0,0]=4 5467 B13R0.275 CCOC(=O)C(F)OCCOCCF 34a_200015357709_100000760018 [0,1,0,0,0,0|3,0,0]=4 5468 B13R0.275 CCOC(=O)C(F)OCCOCCF 7a_200015357709_100000040065 [0,1,0,0,0,0|3,0,0]=4 5469 B13R0.275 CCOC(=O)C(F)OCCOCCI 34a_100012149058_100000760018 [0,1,0,0,0,0|3,0,0]=4 5470 B13R0.275 CCOC(=O)C(F)OCCOCCI 7a_100012149058_100000040065 [0,1,0,0,0,0|3,0,0]=4 5471 B13R0.275 CCOC(=O)C(F)OCCOCCN 34a_100000211614_100000760018 [0,1,0,0,0,0|3,0,0]=4 5472 B13R0.275 CCOC(=O)C(F)SCCCCC#N 62a_100000760018_100000211819 [0,1,0,0,0,0|2,0,1]=4 5473 B13R0.275 CCOC(=O)C(F)SCCCCC#N 62a_100011219923_100000760018 [0,1,0,0,0,0|2,0,1]=4 5474 B13R0.275 CCOC(=O)C(F)SCCCCC=O 62a_100000139335_100000760018 [0,1,0,0,0,0|2,0,1]=4 5475 B13R0.275 CCOC(=O)C(F)SCCCCC=O 62a_100000760018_100000139335 [0,1,0,0,0,0|2,0,1]=4 5476 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000729378_100000760018 [0,1,0,0,0,0|2,0,0]=3 5477 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000760018_100000729378 [0,1,0,0,0,0|2,0,0]=3 5478 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000746330_100000760018 [0,1,0,0,0,0|2,0,0]=3 5479 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000760018_100000746330 [0,1,0,0,0,0|2,0,0]=3 5480 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000730899_100000760018 [0,1,0,0,0,0|2,0,0]=3 5481 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000760018_100000730899 [0,1,0,0,0,0|2,0,0]=3 5482 B13R0.275 CCOC(=O)C(F)SCCOCCO 62a_100000760018_100011215305 [0,1,0,0,0,0|3,0,0]=4 5483 B13R0.275 CCOC(=O)C(F)SCCOCCO 62a_100011215305_100000760018 [0,1,0,0,0,0|3,0,0]=4 5484 B13R0.275 CCOC(=O)C(F)SCOCCOC 62a_100000231047_100000760018 [0,1,0,0,0,0|3,0,0]=4 5485 B13R0.275 CCOC(=O)C(F)SCOCCOC 62a_100000760018_100000231047 [0,1,0,0,0,0|3,0,0]=4 5486 B13R0.275 CCOC(=O)[C@H](C)OCCCCC#N 7a_100000751109_100000211819 [0,1,0,0,0,0|2,0,1]=4 5487 B13R0.275 CCOC(=O)[C@H](C)OCCCCC=O 7a_100000751109_100000139335 [0,1,0,0,0,0|2,0,1]=4 5488 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7a_100000751109_100000729378 [0,1,0,0,0,0|2,0,0]=3 5489 B13R0.275 CCOC(=O)[C@H](C)OCCCCCO 7a_100000751109_100000746330 [0,1,0,0,0,0|2,0,0]=3 5490 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 7a_100000751109_100000730899 [0,1,0,0,0,0|2,0,0]=3 5491 B13R0.275 CCOC(=O)[C@H](C)OCCOCCO 7a_100000751109_100011215305 [0,1,0,0,0,0|3,0,0]=4 5492 B13R0.275 CCOCCCNC(=O)C(=O)OCC 11a_100000210961_100014798877 [0,1,0,0,0,0|2,0,1]=4 5493 B13R0.275 CCOCCCNC(=O)C(=O)OCC 1626a_100000210961_100014798877 [0,1,0,0,0,0|2,0,1]=4 5494 B13R0.275 CCOCCCNC(=O)C(=O)OCC 240690a_100000210961_100014798877 [0,1,0,0,0,0|2,0,1]=4 5495 B13R0.275 CCOCCCNC(C)C(=O)OCC 2230a_100000210961_100011215307 [0,1,0,0,0,0|2,0,0]=3 5496 B13R0.275 CCOCCCNC(C)C(=O)OCC 34a_100000210961_100011216346 [0,1,0,0,0,0|2,0,0]=3 5497 B13R0.275 CCOCCCNC(F)C(=O)OCC 2230a_100000210961_100000760018 [0,1,0,0,0,0|2,0,0]=3 5498 B13R0.275 CCOCCCNC(F)C(=O)OCC 34a_100000210961_100000760018 [0,1,0,0,0,0|2,0,0]=3 5499 B13R0.275 CCOCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100012232248 [0,1,0,0,0,0|2,1,0]=4 5500 B13R0.275 CCOCCCOC(C)C(=O)OCC 34a_100000757476_100011216346 [0,1,0,0,0,0|2,0,0]=3 5501 B13R0.275 CCOCCCOC(C)C(=O)OCC 7a_100000757476_100011216346 [0,1,0,0,0,0|2,0,0]=3 5502 B13R0.275 CCOCCCOC(F)C(=O)OCC 34a_100000757476_100000760018 [0,1,0,0,0,0|2,0,0]=3 5503 B13R0.275 CCOCCCOC(F)C(=O)OCC 7a_100000757476_100000040065 [0,1,0,0,0,0|2,0,0]=3 5504 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012232248 [0,1,0,0,0,0|2,0,0]=3 5505 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100011216346_100012232248 [0,1,0,0,0,0|2,0,0]=3 5506 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100012232248_100011216346 [0,1,0,0,0,0|2,0,0]=3 5507 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100000760018_100012232248 [0,1,0,0,0,0|2,0,0]=3 5508 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100012232248_100000760018 [0,1,0,0,0,0|2,0,0]=3 5509 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000210147_100000211299 [0,1,0,0,0,0|2,0,1]=4 5510 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215890 [0,1,0,0,0,0|2,0,1]=4 5511 B13R0.275 CCSC(=O)[C@H](C)NCCCCCF 2230a_100103168634_100000729378 [0,1,0,0,0,0|2,1,0]=4 5512 B13R0.275 CCSC(=O)[C@H](C)NCCCCCO 2230a_100103168634_100000746330 [0,1,0,0,0,0|2,1,0]=4 5513 B13R0.275 CCSC(=O)[C@H](C)NCCCCOC 2230a_100103168634_100000730899 [0,1,0,0,0,0|2,1,0]=4 5514 B13R0.282 CCCCCCCCC(CC)NCC 270004a_100015525214_200011217995 [0,1,0,0,0,0|2,0,1]=4 5515 B13R0.282 CCCCCCCCC(CC)OCC 34a_200011216270_100000210202 [0,1,0,0,0,0|1,0,1]=3 5516 B13R0.282 CCCCCCCCC(CC)OCC 7a_200011216270_100000210202 [0,1,0,0,0,0|1,0,1]=3 5517 B13R0.282 CCCCCCCCC(CC)OCF 34a_200011216270_100015361967 [0,1,0,0,0,0|2,0,1]=4 5518 B13R0.282 CCCCCCCCC(CC)OCF 7a_200011216270_100015361967 [0,1,0,0,0,0|2,0,1]=4 5519 B13R0.282 CCCCCCCCC(CCC)NC 270004a_106832991635_200011216056 [0,1,0,0,0,0|2,0,1]=4 5520 B13R0.282 CCCCCCCCC(CCC)OC 34a_200011218034_200000210301 [0,1,0,0,0,0|1,0,2]=4 5521 B13R0.282 CCCCCCCCC(CCC)OC 7a_200011218034_200000210301 [0,1,0,0,0,0|1,0,2]=4 5522 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 34a_200011218034_200025704644 [0,1,0,0,0,0|1,0,2]=4 5523 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 7a_200011218034_200025704644 [0,1,0,0,0,0|1,0,2]=4 5524 B13R0.282 CCCCCCCCN(CC)CCC 2230a_100000226822_100000210759 [0,1,0,0,0,0|3,0,0]=4 5525 B13R0.282 CCCCCCCCN(CC)CCC 269982a_100000226822_100000210759 [0,1,0,0,0,0|3,0,0]=4 5526 B13R0.282 CCCCCCNCC(CC)OCC 2230a_100015183923_100000210314 [0,1,0,0,0,0|2,0,1]=4 5527 B13R0.282 CCCCCCNCC(CC)OCC 34a_100015183923_100000210314 [0,1,0,0,0,0|2,0,1]=4 5528 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100010269958 [0,1,0,0,0,0|0,0,3]=4 5529 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000696528_100000188475 [0,1,0,0,0,0|0,0,3]=4 5530 B13R0.330 C#CCCCCN(C)CC(=O)OCC 2230a_100000220588_100010269958 [0,1,0,0,0,0|1,0,2]=4 5531 B13R0.330 C#CCCCOC(C)CC(=O)OCC 7a_100000215630_100009817359 [0,1,0,0,0,0|1,0,2]=4 5532 B13R0.330 C#CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215417 [0,1,0,0,0,0|1,0,2]=4 5533 B13R0.330 C#CCCCSC(C)CC(=O)OCC 62a_100009817359_100011215417 [0,1,0,0,0,0|1,0,2]=4 5534 B13R0.330 C#CCCCSC(C)CC(=O)OCC 62a_100011215417_100009817359 [0,1,0,0,0,0|1,0,2]=4 5535 B13R0.330 C#CCCNC[C@@H](O)CC(=O)OCC 34a_100000755551_100000688340 [0,1,0,0,0,0|1,0,2]=4 5536 B13R0.330 C#CCCOC[C@@H](O)CC(=O)OCC 34a_100011215631_100000688340 [0,1,0,0,0,0|1,0,2]=4 5537 B13R0.330 C#CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000688953 [0,1,0,0,0,0|1,0,2]=4 5538 B13R0.330 C#CCCSC[C@@H](O)CC(=O)OCC 62a_100000688953_100000688340 [0,1,0,0,0,0|1,0,2]=4 5539 B13R0.330 C/C=C/COC[C@@H](O)CC(=O)OCC 34a_100016270725_100000688340 [0,1,0,0,0,0|1,0,2]=4 5540 B13R0.330 C/C=C/CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100102629194 [0,1,0,0,0,0|1,0,2]=4 5541 B13R0.330 C/C=C/CSC[C@@H](O)CC(=O)OCC 62a_100102629194_100000688340 [0,1,0,0,0,0|1,0,2]=4 5542 B13R0.330 C=C(CCC)CC(=O)CCCCCC 1458a_100000138376_100000210757 [0,1,0,0,0,0|2,0,1]=4 5543 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215482 [0,1,0,0,0,0|0,0,3]=4 5544 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100011215552_100000188475 [0,1,0,0,0,0|0,0,3]=4 5545 B13R0.330 C=CCCCCN(C)CC(=O)OCC 2230a_100000220588_100011215482 [0,1,0,0,0,0|1,0,2]=4 5546 B13R0.330 C=CCCCCN(C)CC(=O)OCC 2230a_100012000471_100000188475 [0,1,0,0,0,0|1,0,2]=4 5547 B13R0.330 C=CCCCCN(C)CC(=O)OCC 269982a_100012000471_100000188475 [0,1,0,0,0,0|1,0,2]=4 5548 B13R0.330 C=CCCCNC(C)CC(=O)OCC 2230a_100000700776_100009817359 [0,1,0,0,0,0|1,0,2]=4 5549 B13R0.330 C=CCCCOC(C)CC(=O)OCC 7a_100000758997_100009817359 [0,1,0,0,0,0|1,0,2]=4 5550 B13R0.330 C=CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000757094 [0,1,0,0,0,0|1,0,2]=4 5551 B13R0.330 C=CCCCSC(C)CC(=O)OCC 62a_100009817359_100000757094 [0,1,0,0,0,0|1,0,2]=4 5552 B13R0.330 C=CCCCSC(C)CC(=O)OCC 62a_100011713584_100009817359 [0,1,0,0,0,0|1,0,2]=4 5553 B13R0.330 C=CCCOC[C@@H](O)CC(=O)OCC 34a_100011205117_100000688340 [0,1,0,0,0,0|1,0,2]=4 5554 B13R0.330 C=CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000754431 [0,1,0,0,0,0|1,0,2]=4 5555 B13R0.330 C=CCCSC[C@@H](O)CC(=O)OCC 62a_100000754431_100000688340 [0,1,0,0,0,0|1,0,2]=4 5556 B13R0.330 C=COC(=O)CC(=O)CCCCCC 1458a_100102632555_100000036128 [0,1,0,0,0,0|0,0,3]=4 5557 B13R0.330 C=COC(=O)CN(C)CCCCCC 2230a_106256046315_100000036128 [0,1,0,0,0,0|1,0,2]=4 5558 B13R0.330 C=COC(=O)CN(C)CCCCCC 269982a_106256046315_100000036128 [0,1,0,0,0,0|1,0,2]=4 5559 B13R0.330 CC#CCNC[C@@H](O)CC(=O)OCC 34a_100000685387_100000688340 [0,1,0,0,0,0|1,0,2]=4 5560 B13R0.330 CC#CCOC[C@@H](O)CC(=O)OCC 34a_100000761923_100000688340 [0,1,0,0,0,0|1,0,2]=4 5561 B13R0.330 CC#CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000748600 [0,1,0,0,0,0|1,0,2]=4 5562 B13R0.330 CC#CCSC[C@@H](O)CC(=O)OCC 62a_100000748600_100000688340 [0,1,0,0,0,0|1,0,2]=4 5563 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [0,1,0,0,0,0|0,0,3]=4 5564 B13R0.330 CC/C=C\CCN(C)CC(=O)OCC 2230a_100000220588_100015370543 [0,1,0,0,0,0|1,0,2]=4 5565 B13R0.330 CC/C=C\CO[C@H](C)CC(=O)OCC 7a_100009816390_100103147603 [0,1,0,0,0,0|1,0,2]=4 5566 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100009817359_100103147603 [0,1,0,0,0,0|1,0,2]=4 5567 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100103147603_100009817359 [0,1,0,0,0,0|1,0,2]=4 5568 B13R0.330 CC=CC(=O)NC(C)CCCCCC 11a_100000210919_100000210699 [0,1,0,0,0,0|2,0,1]=4 5569 B13R0.330 CC=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000210699 [0,1,0,0,0,0|2,0,1]=4 5570 B13R0.330 CC=CC(=O)NC(C)CCCCCC 240690a_100000210919_100000210699 [0,1,0,0,0,0|2,0,1]=4 5571 B13R0.330 CC=CCSC[C@@H](O)CC(=O)OCC 62a_100000070051_100000688340 [0,1,0,0,0,0|1,0,2]=4 5572 B13R0.330 CC=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000070051 [0,1,0,0,0,0|1,0,2]=4 5573 B13R0.330 CCC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100009813939 [0,1,0,0,0,0|1,0,2]=4 5574 B13R0.330 CCC#CCSC(C)CC(=O)OCC 62a_100009813939_100009817359 [0,1,0,0,0,0|1,0,2]=4 5575 B13R0.330 CCC#CCSC(C)CC(=O)OCC 62a_100009817359_100009813939 [0,1,0,0,0,0|1,0,2]=4 5576 B13R0.330 CCC/C=C/CC(=O)CC(=O)OCC 1458a_200016266809_100000188475 [0,1,0,0,0,0|0,0,3]=4 5577 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,1,0,0,0,0|2,0,1]=4 5578 B13R0.330 CCCC(=O)CN(C)CCCCCO 2230a_100000722520_100000747444 [0,1,0,0,0,0|3,0,0]=4 5579 B13R0.330 CCCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747444 [0,1,0,0,0,0|3,0,0]=4 5580 B13R0.330 CCCCC=CC(=O)CC(=O)OCC 1458a_100016266645_100000188475 [0,1,0,0,0,0|0,0,3]=4 5581 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,1,0,0,0,0|1,0,1]=3 5582 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,1,0,0,0,0|1,0,1]=3 5583 B13R0.330 CCCCCCC(=O)CC(=O)NCO 1458a_100102632555_100000185155 [0,1,0,0,0,0|2,0,1]=4 5584 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,1,0,0,0,0|0,0,1]=2 5585 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,1,0,0,0,0|0,0,1]=2 5586 B13R0.330 CCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210757 [0,1,0,0,0,0|2,0,1]=4 5587 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [0,1,0,0,0,0|2,0,0]=3 5588 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [0,1,0,0,0,0|2,0,0]=3 5589 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [0,1,0,0,0,0|2,0,0]=3 5590 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [0,1,0,0,0,0|2,0,0]=3 5591 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [0,1,0,0,0,0|3,0,0]=4 5592 B13R0.330 CCCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230341 [0,1,0,0,0,0|3,0,0]=4 5593 B13R0.330 CCCCCCC(C)NC(=O)CNC 34a_100102657272_100000230341 [0,1,0,0,0,0|3,0,0]=4 5594 B13R0.330 CCCCCCC(C)NC(=O)CNC 7a_106832991635_100000230341 [0,1,0,0,0,0|3,0,0]=4 5595 B13R0.330 CCCCCCC(C)NC(=O)COC 11a_100000210919_100000210968 [0,1,0,0,0,0|3,0,0]=4 5596 B13R0.330 CCCCCCC(C)NC(=O)COC 1626a_100000210919_100000210968 [0,1,0,0,0,0|3,0,0]=4 5597 B13R0.330 CCCCCCC(C)NC(=O)COC 240690a_100000210919_100000210968 [0,1,0,0,0,0|3,0,0]=4 5598 B13R0.330 CCCCCCC(C)NC(=O)COC 34a_100138415774_100000230341 [0,1,0,0,0,0|3,0,0]=4 5599 B13R0.330 CCCCCCC(C)NC(=O)COC 527a_100000210919_100000210968 [0,1,0,0,0,0|3,0,0]=4 5600 B13R0.330 CCCCCCC(C)NC(=O)CSC 11a_100000210919_100000184570 [0,1,0,0,0,0|3,0,0]=4 5601 B13R0.330 CCCCCCC(C)NC(=O)CSC 1626a_100000210919_100000184570 [0,1,0,0,0,0|3,0,0]=4 5602 B13R0.330 CCCCCCC(C)NC(=O)CSC 240690a_100000210919_100000184570 [0,1,0,0,0,0|3,0,0]=4 5603 B13R0.330 CCCCCCC(C)NC(=O)CSC 527a_100000210919_100000184570 [0,1,0,0,0,0|3,0,0]=4 5604 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_100000230341_200000210301 [0,1,0,0,0,0|3,0,0]=4 5605 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_200000210301_100000230341 [0,1,0,0,0,0|3,0,0]=4 5606 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_100000230341_200025704644 [0,1,0,0,0,0|3,0,0]=4 5607 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230341 [0,1,0,0,0,0|3,0,0]=4 5608 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [0,1,0,0,0,0|2,0,0]=3 5609 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [0,1,0,0,0,0|2,0,0]=3 5610 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [0,1,0,0,0,0|2,0,0]=3 5611 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [0,1,0,0,0,0|2,0,0]=3 5612 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [0,1,0,0,0,0|2,0,0]=3 5613 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [0,1,0,0,0,0|2,0,0]=3 5614 B13R0.330 CCCCCCC(C)NC(=O)NNC 273464a_100000210919_100016993582 [0,1,0,0,0,0|3,0,0]=4 5615 B13R0.330 CCCCCCC(C)NC(=O)NNC 512a_100000210919_100016993582 [0,1,0,0,0,0|3,0,0]=4 5616 B13R0.330 CCCCCCC(C)NC(=O)NNC 512a_100016993582_100000210919 [0,1,0,0,0,0|3,0,0]=4 5617 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [0,1,0,0,0,0|2,0,0]=3 5618 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [0,1,0,0,0,0|2,0,0]=3 5619 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [0,1,0,0,0,0|2,0,0]=3 5620 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [0,1,0,0,0,0|2,0,0]=3 5621 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [0,1,0,0,0,0|2,0,0]=3 5622 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [0,1,0,0,0,0|2,0,0]=3 5623 B13R0.330 CCCCCCN(C)CC(=O)NCO 2230a_106256046315_100000185155 [0,1,0,0,0,0|3,0,0]=4 5624 B13R0.330 CCCCCCN(C)CC(=O)NCO 269982a_106256046315_100000185155 [0,1,0,0,0,0|3,0,0]=4 5625 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,1,0,0,0,0|1,0,0]=2 5626 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,1,0,0,0,0|1,0,0]=2 5627 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,1,0,0,0,0|1,0,0]=2 5628 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,1,0,0,0,0|2,0,1]=4 5629 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,1,0,0,0,0|1,0,1]=3 5630 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,1,0,0,0,0|1,0,0]=2 5631 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,1,0,0,0,0|1,0,0]=2 5632 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,1,0,0,0,0|1,0,0]=2 5633 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,1,0,0,0,0|1,0,0]=2 5634 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,1,0,0,0,0|1,0,0]=2 5635 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,1,0,0,0,0|2,0,0]=3 5636 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,1,0,0,0,0|2,0,0]=3 5637 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,1,0,0,0,0|1,0,2]=4 5638 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,1,0,0,0,0|1,0,2]=4 5639 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,1,0,0,0,0|2,0,1]=4 5640 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,1,0,0,0,0|1,0,0]=2 5641 B13R0.330 CCCCNNC(=O)CC(=O)OCC 22a_100025702795_100000243816 [0,1,0,0,0,0|2,0,1]=4 5642 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,1,0,0,0,0|1,0,2]=4 5643 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,1,0,0,0,0|1,0,2]=4 5644 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [0,1,0,0,0,0|2,0,1]=4 5645 B13R0.330 CCCCOCC(=O)CC(=O)NCC 1458a_100000757543_100000183381 [0,1,0,0,0,0|2,0,1]=4 5646 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,1,0,0,0,0|1,0,1]=3 5647 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,1,0,0,0,0|1,0,1]=3 5648 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,1,0,0,0,0|2,0,1]=4 5649 B13R0.330 CCCCOCN(C)CC(=O)NCC 2230a_100000741943_100011995733 [0,1,0,0,0,0|3,0,0]=4 5650 B13R0.330 CCCCOCN(C)CC(=O)NCC 269982a_100000741943_100011995733 [0,1,0,0,0,0|3,0,0]=4 5651 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,1,0,0,0,0|2,0,0]=3 5652 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,1,0,0,0,0|1,0,0]=2 5653 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,1,0,0,0,0|1,0,0]=2 5654 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,1,0,0,0,0|1,0,2]=4 5655 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,1,0,0,0,0|1,0,2]=4 5656 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [0,1,0,0,0,0|2,0,1]=4 5657 B13R0.330 CCCCSCC(=O)CC(=O)NCC 1458a_100000191162_100000183381 [0,1,0,0,0,0|2,0,1]=4 5658 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,1,0,0,0,0|1,0,1]=3 5659 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,1,0,0,0,0|1,0,1]=3 5660 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,1,0,0,0,0|1,0,1]=3 5661 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,1,0,0,0,0|2,0,1]=4 5662 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,1,0,0,0,0|1,0,0]=2 5663 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,1,0,0,0,0|1,0,0]=2 5664 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,1,0,0,0,0|1,0,1]=3 5665 B13R0.330 CCCOCCN(C)CC(=O)NCC 2230a_100000741943_100011215938 [0,1,0,0,0,0|3,0,0]=4 5666 B13R0.330 CCCOCCN(C)CC(=O)NCC 269982a_100000741943_100011215938 [0,1,0,0,0,0|3,0,0]=4 5667 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,1,0,0,0,0|2,0,0]=3 5668 B13R0.330 CCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183381 [0,1,0,0,0,0|2,0,1]=4 5669 B13R0.330 CCNC(=O)CN(C)CCCCCF 2230a_100000741943_100000729378 [0,1,0,0,0,0|3,0,0]=4 5670 B13R0.330 CCNC(=O)CN(C)CCCCCF 269982a_100000741943_100000729378 [0,1,0,0,0,0|3,0,0]=4 5671 B13R0.330 CCNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183381 [0,1,0,0,0,0|3,0,0]=4 5672 B13R0.330 CCNC(=O)CN(C)CCCCCO 2230a_100000741943_100000746330 [0,1,0,0,0,0|3,0,0]=4 5673 B13R0.330 CCNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183381 [0,1,0,0,0,0|3,0,0]=4 5674 B13R0.330 CCNC(=O)CN(C)CCCCCO 269982a_100000741943_100000746330 [0,1,0,0,0,0|3,0,0]=4 5675 B13R0.330 CCNC(=O)CN(C)CCCCOC 2230a_100000741943_100000730899 [0,1,0,0,0,0|3,0,0]=4 5676 B13R0.330 CCNC(=O)CN(C)CCCCOC 269982a_100000741943_100000730899 [0,1,0,0,0,0|3,0,0]=4 5677 B13R0.330 CCNC(=O)CN(C)CCCOCC 2230a_100000741943_100012232248 [0,1,0,0,0,0|3,0,0]=4 5678 B13R0.330 CCNC(=O)CN(C)CCCOCC 269982a_100000741943_100012232248 [0,1,0,0,0,0|3,0,0]=4 5679 B13R0.330 CCOC(=O)CC(=O)CCCCC#N 1458a_100000243816_100000211819 [0,1,0,0,0,0|1,0,2]=4 5680 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,1,0,0,0,0|1,0,1]=3 5681 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,1,0,0,0,0|1,0,1]=3 5682 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,1,0,0,0,0|1,0,1]=3 5683 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,1,0,0,0,0|1,0,1]=3 5684 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100000243816_100011215305 [0,1,0,0,0,0|2,0,1]=4 5685 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100011229844_100000188475 [0,1,0,0,0,0|2,0,1]=4 5686 B13R0.330 CCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000188475 [0,1,0,0,0,0|2,0,1]=4 5687 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100000210311_100011934791 [0,1,0,0,0,0|2,0,1]=4 5688 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100011934791_100000210311 [0,1,0,0,0,0|2,0,1]=4 5689 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100000210311_100011215043 [0,1,0,0,0,0|2,0,1]=4 5690 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100011215043_100000210311 [0,1,0,0,0,0|2,0,1]=4 5691 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000210311_100000233755 [0,1,0,0,0,0|2,0,1]=4 5692 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000233755_100000210311 [0,1,0,0,0,0|2,0,1]=4 5693 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000210311_100000751147 [0,1,0,0,0,0|2,0,1]=4 5694 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000212216_100000210311 [0,1,0,0,0,0|2,0,1]=4 5695 B13R0.330 CCOC(=O)CC(=O)NCCCCO 240690a_100000750430_100000243816 [0,1,0,0,0,0|2,0,1]=4 5696 B13R0.330 CCOC(=O)CC(=O)NCCCOC 240690a_100150723488_100000243816 [0,1,0,0,0,0|2,0,1]=4 5697 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [0,1,0,0,0,0|2,0,1]=4 5698 B13R0.330 CCOC(=O)CC(=O)NCCSCC 240690a_100000106463_100000243816 [0,1,0,0,0,0|2,0,1]=4 5699 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [0,1,0,0,0,0|2,0,0]=3 5700 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [0,1,0,0,0,0|2,0,0]=3 5701 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [0,1,0,0,0,0|2,0,0]=3 5702 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [0,1,0,0,0,0|2,0,0]=3 5703 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [0,1,0,0,0,0|2,0,0]=3 5704 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [0,1,0,0,0,0|2,0,0]=3 5705 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [0,1,0,0,0,0|2,0,0]=3 5706 B13R0.330 CCOC(=O)CC(C)SCCCC#N 62a_100000687738_100009817359 [0,1,0,0,0,0|2,0,1]=4 5707 B13R0.330 CCOC(=O)CC(C)SCCCC#N 62a_100009817359_100000687738 [0,1,0,0,0,0|2,0,1]=4 5708 B13R0.330 CCOC(=O)CC(C)SCCCC=O 62a_100009817359_200011292268 [0,1,0,0,0,0|2,0,1]=4 5709 B13R0.330 CCOC(=O)CC(C)SCCCC=O 62a_200011292268_100009817359 [0,1,0,0,0,0|2,0,1]=4 5710 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [0,1,0,0,0,0|2,0,0]=3 5711 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [0,1,0,0,0,0|2,0,0]=3 5712 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [0,1,0,0,0,0|2,0,0]=3 5713 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [0,1,0,0,0,0|2,0,0]=3 5714 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [0,1,0,0,0,0|2,0,0]=3 5715 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [0,1,0,0,0,0|2,0,0]=3 5716 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [0,1,0,0,0,0|2,0,0]=3 5717 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [0,1,0,0,0,0|2,0,0]=3 5718 B13R0.330 CCOC(=O)CN(C)CCCCC#N 2230a_100000220588_100000211819 [0,1,0,0,0,0|2,0,1]=4 5719 B13R0.330 CCOC(=O)CN(C)CCCCC=O 2230a_100000220588_100000139335 [0,1,0,0,0,0|2,0,1]=4 5720 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,1,0,0,0,0|2,0,0]=3 5721 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,1,0,0,0,0|2,0,0]=3 5722 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,1,0,0,0,0|2,0,0]=3 5723 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,1,0,0,0,0|2,0,0]=3 5724 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,1,0,0,0,0|2,0,0]=3 5725 B13R0.330 CCOC(=O)CN(C)CCOCCO 2230a_100000220588_100011215305 [0,1,0,0,0,0|3,0,0]=4 5726 B13R0.330 CCOC(=O)CN(C)CCOCCO 2230a_100000228057_100000188475 [0,1,0,0,0,0|3,0,0]=4 5727 B13R0.330 CCOC(=O)CN(C)CCOCCO 269982a_100000228057_100000188475 [0,1,0,0,0,0|3,0,0]=4 5728 B13R0.330 CCOC(=O)CN(C)COCCOC 2230a_100000220588_100000231047 [0,1,0,0,0,0|3,0,0]=4 5729 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC#N 7a_100009816390_100000687738 [0,1,0,0,0,0|2,0,1]=4 5730 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC=O 7a_100009816390_200011292268 [0,1,0,0,0,0|2,0,1]=4 5731 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [0,1,0,0,0,0|2,0,0]=3 5732 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [0,1,0,0,0,0|2,0,0]=3 5733 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [0,1,0,0,0,0|2,0,0]=3 5734 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [0,1,0,0,0,0|2,0,0]=3 5735 B13R0.330 CCOC(=O)C[C@H](O)CNCCCF 34a_100015189416_100000688340 [0,1,0,0,0,0|2,0,0]=3 5736 B13R0.330 CCOC(=O)C[C@H](O)COCCCBr 34a_100011217188_100000688340 [0,1,0,0,0,0|2,0,0]=3 5737 B13R0.330 CCOC(=O)C[C@H](O)COCCCCl 34a_100000230001_100000688340 [0,1,0,0,0,0|2,0,0]=3 5738 B13R0.330 CCOC(=O)C[C@H](O)COCCCF 34a_100000759539_100000688340 [0,1,0,0,0,0|2,0,0]=3 5739 B13R0.330 CCOC(=O)C[C@H](O)COCCCN 34a_100000182051_100000688340 [0,1,0,0,0,0|2,0,0]=3 5740 B13R0.330 CCOC(=O)C[C@H](O)COCCOC 34a_100000210237_100000688340 [0,1,0,0,0,0|2,0,0]=3 5741 B13R0.330 CCOC(=O)C[C@H](O)COCCON 34a_100000700252_100000688340 [0,1,0,0,0,0|3,0,0]=4 5742 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 34a_100000230434_100000688340 [0,1,0,0,0,0|2,0,0]=3 5743 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 7a_100000230434_100000688340 [0,1,0,0,0,0|2,0,0]=3 5744 B13R0.330 CCOC(=O)C[C@H](O)CSCCC#N 62a_100000688340_100011215226 [0,1,0,0,0,0|2,0,1]=4 5745 B13R0.330 CCOC(=O)C[C@H](O)CSCCC#N 62a_100011215226_100000688340 [0,1,0,0,0,0|2,0,1]=4 5746 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100000688340_100011934791 [0,1,0,0,0,0|2,0,0]=3 5747 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100011934791_100000688340 [0,1,0,0,0,0|2,0,0]=3 5748 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100000688340_100011215043 [0,1,0,0,0,0|2,0,0]=3 5749 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100011215043_100000688340 [0,1,0,0,0,0|2,0,0]=3 5750 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000233755_100000688340 [0,1,0,0,0,0|2,0,0]=3 5751 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000688340_100000233755 [0,1,0,0,0,0|2,0,0]=3 5752 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000212216_100000688340 [0,1,0,0,0,0|2,0,0]=3 5753 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000688340_100000751147 [0,1,0,0,0,0|2,0,0]=3 5754 B13R0.330 CCOC(=O)OC(C)SCCCCF 62a_100000036008_100000729493 [0,1,0,0,0,0|3,0,0]=4 5755 B13R0.330 CCOC(=O)OC(C)SCCCCF 62a_100000729493_100000036008 [0,1,0,0,0,0|3,0,0]=4 5756 B13R0.330 CCOC(=O)OC(C)SCCCCO 62a_100000036008_100000210776 [0,1,0,0,0,0|3,0,0]=4 5757 B13R0.330 CCOC(=O)OC(C)SCCCCO 62a_100000210776_100000036008 [0,1,0,0,0,0|3,0,0]=4 5758 B13R0.330 CCOC(=O)OC(C)SCCCOC 62a_100000036008_100000709357 [0,1,0,0,0,0|3,0,0]=4 5759 B13R0.330 CCOC(=O)OC(C)SCCCOC 62a_100000709357_100000036008 [0,1,0,0,0,0|3,0,0]=4 5760 B13R0.330 CCOC(=O)OC(C)SCCSCC 62a_100000036008_100000757381 [0,1,0,0,0,0|3,0,0]=4 5761 B13R0.330 CCOC(=O)OC(C)SCCSCC 62a_100000757381_100000036008 [0,1,0,0,0,0|3,0,0]=4 5762 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,1,0,0,0,0|1,0,1]=3 5763 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,1,0,0,0,0|2,0,0]=3 5764 B13R0.330 CCOCCNC(=O)CC(=O)OCC 240690a_100011200944_100000243816 [0,1,0,0,0,0|2,0,1]=4 5765 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [0,1,0,0,0,0|2,0,0]=3 5766 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [0,1,0,0,0,0|2,0,0]=3 5767 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [0,1,0,0,0,0|2,0,0]=3 5768 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [0,1,0,0,0,0|2,0,0]=3 5769 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [0,1,0,0,0,0|2,0,0]=3 5770 B13R0.330 CCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215890 [0,1,0,0,0,0|3,0,0]=4 5771 B13R0.330 CCOCCSC(C)OC(=O)OCC 62a_100000210147_100000036008 [0,1,0,0,0,0|3,0,0]=4 5772 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000210311_100000739092 [0,1,0,0,0,0|2,0,1]=4 5773 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000739092_100000210311 [0,1,0,0,0,0|2,0,1]=4 5774 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000739092 [0,1,0,0,0,0|2,0,0]=3 5775 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000739092_100000688340 [0,1,0,0,0,0|2,0,0]=3 5776 B13R0.335 C#CCCCCCCC(=O)CC(C)C 1458a_100000034748_100000210624 [0,1,0,0,0,0|1,0,2]=4 5777 B13R0.335 C#CCCCCCCC(=O)CC(C)C 1458a_100000210554_100012276617 [0,1,0,0,0,0|1,0,2]=4 5778 B13R0.335 C#CCCCCCCC(=O)CC(C)O 1458a_100000034748_100011218427 [0,1,0,0,0,0|1,0,2]=4 5779 B13R0.335 C#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012276617 [0,1,0,0,0,0|1,0,2]=4 5780 B13R0.335 C#CCCCCCCC(=O)NC(C)C 11a_100138425928_100000034748 [0,1,0,0,0,0|1,0,2]=4 5781 B13R0.335 C#CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000034748 [0,1,0,0,0,0|1,0,2]=4 5782 B13R0.335 C#CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000034748 [0,1,0,0,0,0|1,0,2]=4 5783 B13R0.335 C#CCCCCCCC(=O)NC(C)C 527a_100138425928_100000034748 [0,1,0,0,0,0|1,0,2]=4 5784 B13R0.335 C#CCCCCNCC(=O)OC(C)C 2230a_100000706060_100011215430 [0,1,0,0,0,0|1,0,2]=4 5785 B13R0.335 C#CCCCCNCC(=O)OC(C)C 34a_100000706060_100011215430 [0,1,0,0,0,0|1,0,2]=4 5786 B13R0.335 C#CCCCCOCC(=O)OC(C)C 34a_100000766709_100011215430 [0,1,0,0,0,0|1,0,2]=4 5787 B13R0.335 C#CCCCCOCC(=O)OC(C)C 7a_100000766709_100011215430 [0,1,0,0,0,0|1,0,2]=4 5788 B13R0.335 C#CCCCCSCC(=O)OC(C)C 62a_100010269958_100011215430 [0,1,0,0,0,0|1,0,2]=4 5789 B13R0.335 C#CCCCCSCC(=O)OC(C)C 62a_100011215430_100010269958 [0,1,0,0,0,0|1,0,2]=4 5790 B13R0.335 C#CCCCOCCC(=O)OC(C)C 7a_100000215630_100000760027 [0,1,0,0,0,0|1,0,2]=4 5791 B13R0.335 C#CCCCSCCC(=O)OC(C)C 62a_100000760027_100011215417 [0,1,0,0,0,0|1,0,2]=4 5792 B13R0.335 C#CCCCSCCC(=O)OC(C)C 62a_100011215417_100000760027 [0,1,0,0,0,0|1,0,2]=4 5793 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,1,0,0,0,0|1,0,1]=3 5794 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [0,1,0,0,0,0|2,0,1]=4 5795 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,1,0,0,0,0|1,0,2]=4 5796 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215473 [0,1,0,0,0,0|1,0,2]=4 5797 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100011809334_100000210624 [0,1,0,0,0,0|1,0,2]=4 5798 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [0,1,0,0,0,0|1,0,2]=4 5799 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [0,1,0,0,0,0|1,0,2]=4 5800 B13R0.335 C=CCCCCCCC(=O)NC(C)C 11a_100138425928_100011809334 [0,1,0,0,0,0|1,0,2]=4 5801 B13R0.335 C=CCCCCCCC(=O)NC(C)C 1626a_100138425928_100011809334 [0,1,0,0,0,0|1,0,2]=4 5802 B13R0.335 C=CCCCCCCC(=O)NC(C)C 240690a_100138425928_100011809334 [0,1,0,0,0,0|1,0,2]=4 5803 B13R0.335 C=CCCCCCCC(=O)NC(C)C 527a_100138425928_100011809334 [0,1,0,0,0,0|1,0,2]=4 5804 B13R0.335 C=CCCCCNCC(=O)OC(C)C 2230a_100000703577_100011215430 [0,1,0,0,0,0|1,0,2]=4 5805 B13R0.335 C=CCCCCNCC(=O)OC(C)C 34a_100000703577_100011215430 [0,1,0,0,0,0|1,0,2]=4 5806 B13R0.335 C=CCCCCOCC(=O)OC(C)C 34a_100000766645_100011215430 [0,1,0,0,0,0|1,0,2]=4 5807 B13R0.335 C=CCCCCOCC(=O)OC(C)C 7a_100000766645_100011215430 [0,1,0,0,0,0|1,0,2]=4 5808 B13R0.335 C=CCCCCSCC(=O)OC(C)C 62a_100011215430_100011215482 [0,1,0,0,0,0|1,0,2]=4 5809 B13R0.335 C=CCCCCSCC(=O)OC(C)C 62a_100011215482_100011215430 [0,1,0,0,0,0|1,0,2]=4 5810 B13R0.335 C=CCCCNCCC(=O)OC(C)C 2230a_100000700776_100000760027 [0,1,0,0,0,0|1,0,2]=4 5811 B13R0.335 C=CCCCOCCC(=O)OC(C)C 7a_100000758997_100000760027 [0,1,0,0,0,0|1,0,2]=4 5812 B13R0.335 C=CCCCSCCC(=O)OC(C)C 62a_100000760027_100000757094 [0,1,0,0,0,0|1,0,2]=4 5813 B13R0.335 C=CCCCSCCC(=O)OC(C)C 62a_100011713584_100000760027 [0,1,0,0,0,0|1,0,2]=4 5814 B13R0.335 CC(=CC(=O)CCCCCCCO)C 1458a_100000211388_100000760002 [0,1,0,0,0,0|2,0,1]=4 5815 B13R0.335 CC(=CC(=O)CCCCCCCO)Cl 1458a_200042562850_100000760002 [0,1,0,0,0,0|2,0,1]=4 5816 B13R0.335 CC(=CC(=O)CCCCCCCO)I 1458a_100025716642_100000760002 [0,1,0,0,0,0|2,0,1]=4 5817 B13R0.335 CC(C)CC(=O)CCCCCCC#N 1458a_100000210554_100009813337 [0,1,0,0,0,0|2,0,1]=4 5818 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [0,1,0,0,0,0|2,0,0]=3 5819 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [0,1,0,0,0,0|2,0,0]=3 5820 B13R0.335 CC(C)CC(=O)NCCCCCCO 240690a_100000686447_100000210554 [0,1,0,0,0,0|3,0,0]=4 5821 B13R0.335 CC(C)CC(=O)NCCCCCCO 527a_100000686447_100000210554 [0,1,0,0,0,0|3,0,0]=4 5822 B13R0.335 CC(C)NC(=O)CCCCCCCO 240690a_100138425928_100011219782 [0,1,0,0,0,0|2,0,0]=3 5823 B13R0.335 CC(C)NC(=O)CCNCCCCO 2230a_100000750430_100000737564 [0,1,0,0,0,0|3,0,0]=4 5824 B13R0.335 CC(C)NC(=O)CCOCCCCCl 7a_100000210776_100000737564 [0,1,0,0,0,0|3,0,0]=4 5825 B13R0.335 CC(C)NC(=O)CCOCCCCF 7a_100011995726_100000737564 [0,1,0,0,0,0|3,0,0]=4 5826 B13R0.335 CC(C)NC(=O)CCSCCCCF 62a_100000729493_100000737564 [0,1,0,0,0,0|3,0,0]=4 5827 B13R0.335 CC(C)NC(=O)CCSCCCCF 62a_100000737564_100000729493 [0,1,0,0,0,0|3,0,0]=4 5828 B13R0.335 CC(C)NC(=O)CCSCCCCO 62a_100000210776_100000737564 [0,1,0,0,0,0|3,0,0]=4 5829 B13R0.335 CC(C)NC(=O)CCSCCCCO 62a_100000737564_100000210776 [0,1,0,0,0,0|3,0,0]=4 5830 B13R0.335 CC(C)NC(=O)CNCCCCCF 2230a_100000168517_100000729378 [0,1,0,0,0,0|3,0,0]=4 5831 B13R0.335 CC(C)NC(=O)CNCCCCCO 2230a_100000168517_100000746330 [0,1,0,0,0,0|3,0,0]=4 5832 B13R0.335 CC(C)NC(=O)CNCCCCCO 2230a_100000762737_100000183996 [0,1,0,0,0,0|3,0,0]=4 5833 B13R0.335 CC(C)NC(=O)CNCCCCCO 34a_100000762737_100000183996 [0,1,0,0,0,0|3,0,0]=4 5834 B13R0.335 CC(C)NC(=O)COCCCCCBr 34a_100000746331_100000183996 [0,1,0,0,0,0|3,0,0]=4 5835 B13R0.335 CC(C)NC(=O)COCCCCCBr 7a_100000746331_100000183996 [0,1,0,0,0,0|3,0,0]=4 5836 B13R0.335 CC(C)NC(=O)COCCCCCCl 34a_100000746330_100000183996 [0,1,0,0,0,0|3,0,0]=4 5837 B13R0.335 CC(C)NC(=O)COCCCCCCl 7a_100000746330_100000183996 [0,1,0,0,0,0|3,0,0]=4 5838 B13R0.335 CC(C)NC(=O)COCCCCCI 34a_200012148887_100000183996 [0,1,0,0,0,0|3,0,0]=4 5839 B13R0.335 CC(C)NC(=O)COCCCCCI 7a_200012148887_100000183996 [0,1,0,0,0,0|3,0,0]=4 5840 B13R0.335 CC(C)NC(=O)COCCCCCN 34a_100000762737_100000183996 [0,1,0,0,0,0|3,0,0]=4 5841 B13R0.335 CC(C)NC(=O)CSCCCCCF 62a_100000183996_100000729378 [0,1,0,0,0,0|3,0,0]=4 5842 B13R0.335 CC(C)NC(=O)CSCCCCCF 62a_100000729378_100000183996 [0,1,0,0,0,0|3,0,0]=4 5843 B13R0.335 CC(C)NC(=O)CSCCCCCO 62a_100000183996_100000746330 [0,1,0,0,0,0|3,0,0]=4 5844 B13R0.335 CC(C)NC(=O)CSCCCCCO 62a_100000746330_100000183996 [0,1,0,0,0,0|3,0,0]=4 5845 B13R0.335 CC(C)NC(=O)NCCCCCCO 2708a_100138425928_100000686447 [0,1,0,0,0,0|3,0,0]=4 5846 B13R0.335 CC(C)NC(=O)NCCCCCCO 273464a_100138425928_100000686447 [0,1,0,0,0,0|3,0,0]=4 5847 B13R0.335 CC(C)NC(=O)NCCCCCCO 512a_100000686447_100138425928 [0,1,0,0,0,0|3,0,0]=4 5848 B13R0.335 CC(C)NC(=O)NCCCCCCO 512a_100138425928_100000686447 [0,1,0,0,0,0|3,0,0]=4 5849 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_100015361967_200010986244 [0,1,0,0,0,0|2,0,0]=3 5850 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_200010986244_100015361967 [0,1,0,0,0,0|2,0,0]=3 5851 B13R0.335 CC(C)OC(=O)CCNCCCCO 2230a_100000750430_100000760027 [0,1,0,0,0,0|2,0,0]=3 5852 B13R0.335 CC(C)OC(=O)CCOCCCCCl 7a_100000210776_100000760027 [0,1,0,0,0,0|2,0,0]=3 5853 B13R0.335 CC(C)OC(=O)CCOCCCCF 7a_100011995726_100000760027 [0,1,0,0,0,0|2,0,0]=3 5854 B13R0.335 CC(C)OC(=O)CCSCCCC#N 62a_100000687738_100000760027 [0,1,0,0,0,0|2,0,1]=4 5855 B13R0.335 CC(C)OC(=O)CCSCCCC#N 62a_100000760027_100000687738 [0,1,0,0,0,0|2,0,1]=4 5856 B13R0.335 CC(C)OC(=O)CCSCCCC=O 62a_100000760027_200011292268 [0,1,0,0,0,0|2,0,1]=4 5857 B13R0.335 CC(C)OC(=O)CCSCCCC=O 62a_200011292268_100000760027 [0,1,0,0,0,0|2,0,1]=4 5858 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000729493_100000760027 [0,1,0,0,0,0|2,0,0]=3 5859 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000760027_100000729493 [0,1,0,0,0,0|2,0,0]=3 5860 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000210776_100000760027 [0,1,0,0,0,0|2,0,0]=3 5861 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000760027_100000210776 [0,1,0,0,0,0|2,0,0]=3 5862 B13R0.335 CC(C)OC(=O)CNCCCCCO 2230a_100000762737_100011215430 [0,1,0,0,0,0|2,0,0]=3 5863 B13R0.335 CC(C)OC(=O)CNCCCCCO 34a_100000762737_100011215430 [0,1,0,0,0,0|2,0,0]=3 5864 B13R0.335 CC(C)OC(=O)CNCCOCCO 2230a_100000211614_100011215430 [0,1,0,0,0,0|3,0,0]=4 5865 B13R0.335 CC(C)OC(=O)CNCCOCCO 34a_100000211614_100011215430 [0,1,0,0,0,0|3,0,0]=4 5866 B13R0.335 CC(C)OC(=O)CNCCSCCO 2230a_100011219999_100011215430 [0,1,0,0,0,0|3,0,0]=4 5867 B13R0.335 CC(C)OC(=O)COCCCCCBr 34a_100000746331_100011215430 [0,1,0,0,0,0|2,0,0]=3 5868 B13R0.335 CC(C)OC(=O)COCCCCCBr 7a_100000746331_100011215430 [0,1,0,0,0,0|2,0,0]=3 5869 B13R0.335 CC(C)OC(=O)COCCCCCCl 34a_100000746330_100011215430 [0,1,0,0,0,0|2,0,0]=3 5870 B13R0.335 CC(C)OC(=O)COCCCCCCl 7a_100000746330_100011215430 [0,1,0,0,0,0|2,0,0]=3 5871 B13R0.335 CC(C)OC(=O)COCCCCCI 34a_200012148887_100011215430 [0,1,0,0,0,0|2,0,0]=3 5872 B13R0.335 CC(C)OC(=O)COCCCCCI 7a_200012148887_100011215430 [0,1,0,0,0,0|2,0,0]=3 5873 B13R0.335 CC(C)OC(=O)COCCCCCN 34a_100000762737_100011215430 [0,1,0,0,0,0|2,0,0]=3 5874 B13R0.335 CC(C)OC(=O)COCCOCCBr 34a_100000692535_100011215430 [0,1,0,0,0,0|3,0,0]=4 5875 B13R0.335 CC(C)OC(=O)COCCOCCBr 7a_100000692535_100011215430 [0,1,0,0,0,0|3,0,0]=4 5876 B13R0.335 CC(C)OC(=O)COCCOCCCl 34a_100011215305_100011215430 [0,1,0,0,0,0|3,0,0]=4 5877 B13R0.335 CC(C)OC(=O)COCCOCCCl 7a_100011215305_100011215430 [0,1,0,0,0,0|3,0,0]=4 5878 B13R0.335 CC(C)OC(=O)COCCOCCF 34a_200015357709_100011215430 [0,1,0,0,0,0|3,0,0]=4 5879 B13R0.335 CC(C)OC(=O)COCCOCCF 7a_200015357709_100011215430 [0,1,0,0,0,0|3,0,0]=4 5880 B13R0.335 CC(C)OC(=O)COCCOCCI 34a_100012149058_100011215430 [0,1,0,0,0,0|3,0,0]=4 5881 B13R0.335 CC(C)OC(=O)COCCOCCI 7a_100012149058_100011215430 [0,1,0,0,0,0|3,0,0]=4 5882 B13R0.335 CC(C)OC(=O)COCCOCCN 34a_100000211614_100011215430 [0,1,0,0,0,0|3,0,0]=4 5883 B13R0.335 CC(C)OC(=O)CSCCCCC#N 62a_100011215430_100000211819 [0,1,0,0,0,0|2,0,1]=4 5884 B13R0.335 CC(C)OC(=O)CSCCCCC#N 62a_100011219923_100011215430 [0,1,0,0,0,0|2,0,1]=4 5885 B13R0.335 CC(C)OC(=O)CSCCCCC=O 62a_100000139335_100011215430 [0,1,0,0,0,0|2,0,1]=4 5886 B13R0.335 CC(C)OC(=O)CSCCCCC=O 62a_100011215430_100000139335 [0,1,0,0,0,0|2,0,1]=4 5887 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100000729378_100011215430 [0,1,0,0,0,0|2,0,0]=3 5888 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100011215430_100000729378 [0,1,0,0,0,0|2,0,0]=3 5889 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100000746330_100011215430 [0,1,0,0,0,0|2,0,0]=3 5890 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100011215430_100000746330 [0,1,0,0,0,0|2,0,0]=3 5891 B13R0.335 CC(C)OC(=O)CSCCOCCO 62a_100011215305_100011215430 [0,1,0,0,0,0|3,0,0]=4 5892 B13R0.335 CC(C)OC(=O)CSCCOCCO 62a_100011215430_100011215305 [0,1,0,0,0,0|3,0,0]=4 5893 B13R0.335 CC(C)OC(=O)OCSCCCCF 62a_100000003507_100000729493 [0,1,0,0,0,0|3,0,0]=4 5894 B13R0.335 CC(C)OC(=O)OCSCCCCF 62a_100000729493_100000003507 [0,1,0,0,0,0|3,0,0]=4 5895 B13R0.335 CC(C)OC(=O)OCSCCCCO 62a_100000003507_100000210776 [0,1,0,0,0,0|3,0,0]=4 5896 B13R0.335 CC(C)OC(=O)OCSCCCCO 62a_100000210776_100000003507 [0,1,0,0,0,0|3,0,0]=4 5897 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [0,1,0,0,0,0|2,0,0]=3 5898 B13R0.335 CC/C=C\CCOCC(=O)OC(C)C 34a_100016288707_100011215430 [0,1,0,0,0,0|1,0,2]=4 5899 B13R0.335 CC/C=C\CCOCC(=O)OC(C)C 7a_100016288707_100011215430 [0,1,0,0,0,0|1,0,2]=4 5900 B13R0.335 CC/C=C\CCSCC(=O)OC(C)C 62a_100011215430_100015370543 [0,1,0,0,0,0|1,0,2]=4 5901 B13R0.335 CC/C=C\CCSCC(=O)OC(C)C 62a_100015370543_100011215430 [0,1,0,0,0,0|1,0,2]=4 5902 B13R0.335 CC/C=C\CSCCC(=O)OC(C)C 62a_100000760027_100103147603 [0,1,0,0,0,0|1,0,2]=4 5903 B13R0.335 CC/C=C\CSCCC(=O)OC(C)C 62a_100103147603_100000760027 [0,1,0,0,0,0|1,0,2]=4 5904 B13R0.335 CC=CCCCOCC(=O)OC(C)C 34a_100020645299_100011215430 [0,1,0,0,0,0|1,0,2]=4 5905 B13R0.335 CCC#CCCOCC(=O)OC(C)C 34a_100000036655_100011215430 [0,1,0,0,0,0|1,0,2]=4 5906 B13R0.335 CCC#CCCOCC(=O)OC(C)C 7a_100000036655_100011215430 [0,1,0,0,0,0|1,0,2]=4 5907 B13R0.335 CCC#CCSCCC(=O)OC(C)C 62a_100000760027_100009813939 [0,1,0,0,0,0|1,0,2]=4 5908 B13R0.335 CCC#CCSCCC(=O)OC(C)C 62a_100009813939_100000760027 [0,1,0,0,0,0|1,0,2]=4 5909 B13R0.335 CCC/C=C/COCC(=O)OC(C)C 34a_100016278788_100011215430 [0,1,0,0,0,0|1,0,2]=4 5910 B13R0.335 CCC/C=C/COCC(=O)OC(C)C 7a_100016278788_100011215430 [0,1,0,0,0,0|1,0,2]=4 5911 B13R0.335 CCCC#CCOCC(=O)OC(C)C 34a_100000034806_100011215430 [0,1,0,0,0,0|1,0,2]=4 5912 B13R0.335 CCCC#CCOCC(=O)OC(C)C 7a_100000034806_100011215430 [0,1,0,0,0,0|1,0,2]=4 5913 B13R0.335 CCCCC/C=C/CC(=O)CC(C)C 1458a_100020675968_100000210624 [0,1,0,0,0,0|1,0,2]=4 5914 B13R0.335 CCCCC/C=C/CC(=O)CC(C)O 1458a_100020675968_100011218427 [0,1,0,0,0,0|1,0,2]=4 5915 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020675968 [0,1,0,0,0,0|1,0,2]=4 5916 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020675968 [0,1,0,0,0,0|1,0,2]=4 5917 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020675968 [0,1,0,0,0,0|1,0,2]=4 5918 B13R0.335 CCCCCC#CCC(=O)CC(C)C 1458a_100000210554_100009816472 [0,1,0,0,0,0|1,0,2]=4 5919 B13R0.335 CCCCCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009816472 [0,1,0,0,0,0|1,0,2]=4 5920 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [0,1,0,0,0,0|1,0,2]=4 5921 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [0,1,0,0,0,0|1,0,2]=4 5922 B13R0.335 CCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015324643 [0,1,0,0,0,0|1,0,2]=4 5923 B13R0.335 CCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015324643 [0,1,0,0,0,0|1,0,2]=4 5924 B13R0.335 CCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015324643 [0,1,0,0,0,0|1,0,2]=4 5925 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,1,0,0,0,0|1,0,1]=3 5926 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,1,0,0,0,0|1,0,1]=3 5927 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,1,0,0,0,0|1,0,1]=3 5928 B13R0.335 CCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210759 [0,1,0,0,0,0|2,0,1]=4 5929 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,1,0,0,0,0|2,0,1]=4 5930 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,1,0,0,0,0|2,0,1]=4 5931 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,1,0,0,0,0|2,0,1]=4 5932 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,1,0,0,0,0|1,0,0]=2 5933 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,1,0,0,0,0|1,0,0]=2 5934 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,1,0,0,0,0|1,0,0]=2 5935 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [0,1,0,0,0,0|2,0,0]=3 5936 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [0,1,0,0,0,0|2,0,0]=3 5937 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,1,0,0,0,0|1,0,0]=2 5938 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,1,0,0,0,0|3,0,0]=4 5939 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [0,1,0,0,0,0|2,0,0]=3 5940 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [0,1,0,0,0,0|1,0,0]=2 5941 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [0,1,0,0,0,0|1,0,0]=2 5942 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [0,1,0,0,0,0|1,0,0]=2 5943 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [0,1,0,0,0,0|1,0,0]=2 5944 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,1,0,0,0,0|1,0,1]=3 5945 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,1,0,0,0,0|1,0,1]=3 5946 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000207567_100000210760 [0,1,0,0,0,0|3,0,0]=4 5947 B13R0.335 CCCCCCCCN(C)CC(C)C 2230a_100000747067_100000210759 [0,1,0,0,0,0|3,0,0]=4 5948 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000207567_100000210624 [0,1,0,0,0,0|3,0,0]=4 5949 B13R0.335 CCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210759 [0,1,0,0,0,0|3,0,0]=4 5950 B13R0.335 CCCCCCCCN(C)CC(C)C 270004a_100000207567_100000210432 [0,1,0,0,0,0|3,0,0]=4 5951 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,1,0,0,0,0|3,0,0]=4 5952 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,1,0,0,0,0|3,0,0]=4 5953 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,1,0,0,0,0|3,0,0]=4 5954 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,1,0,0,0,0|3,0,0]=4 5955 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,1,0,0,0,0|3,0,0]=4 5956 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,1,0,0,0,0|3,0,0]=4 5957 B13R0.335 CCCCCCCNC(=O)C=C(C)C 11a_100000229938_100000211388 [0,1,0,0,0,0|2,0,1]=4 5958 B13R0.335 CCCCCCCNC(=O)C=C(C)C 1626a_100000229938_100000211388 [0,1,0,0,0,0|2,0,1]=4 5959 B13R0.335 CCCCCCCNC(=O)C=C(C)C 240690a_100000229938_100000211388 [0,1,0,0,0,0|2,0,1]=4 5960 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 11a_100000229938_200042562850 [0,1,0,0,0,0|2,0,1]=4 5961 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 1626a_100000229938_200042562850 [0,1,0,0,0,0|2,0,1]=4 5962 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 240690a_100000229938_200042562850 [0,1,0,0,0,0|2,0,1]=4 5963 B13R0.335 CCCCCCCNC(=O)C=C(C)I 11a_100000229938_100025716642 [0,1,0,0,0,0|2,0,1]=4 5964 B13R0.335 CCCCCCCNC(=O)C=C(C)I 1626a_100000229938_100025716642 [0,1,0,0,0,0|2,0,1]=4 5965 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [0,1,0,0,0,0|2,0,0]=3 5966 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [0,1,0,0,0,0|2,0,0]=3 5967 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [0,1,0,0,0,0|2,0,0]=3 5968 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [0,1,0,0,0,0|2,0,0]=3 5969 B13R0.335 CCCCCCCNC(=O)CN(C)C 11a_100000229938_100000750896 [0,1,0,0,0,0|3,0,0]=4 5970 B13R0.335 CCCCCCCNC(=O)CN(C)C 240690a_100000229938_100000750896 [0,1,0,0,0,0|3,0,0]=4 5971 B13R0.335 CCCCCCCNC(=O)CN(C)C 527a_100000229938_100000750896 [0,1,0,0,0,0|3,0,0]=4 5972 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,1,0,0,0,0|2,0,0]=3 5973 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 11a_100000229938_200159257847 [0,1,0,0,0,0|3,0,0]=4 5974 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 1626a_100000229938_200159257847 [0,1,0,0,0,0|3,0,0]=4 5975 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 240690a_100000229938_200159257847 [0,1,0,0,0,0|3,0,0]=4 5976 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 527a_100000229938_200159257847 [0,1,0,0,0,0|3,0,0]=4 5977 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [0,1,0,0,0,0|2,0,0]=3 5978 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [0,1,0,0,0,0|2,0,0]=3 5979 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [0,1,0,0,0,0|2,0,0]=3 5980 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [0,1,0,0,0,0|2,0,0]=3 5981 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [0,1,0,0,0,0|2,0,0]=3 5982 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210314 [0,1,0,0,0,0|2,0,0]=3 5983 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000210581_100000183996 [0,1,0,0,0,0|2,0,0]=3 5984 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [0,1,0,0,0,0|1,0,0]=2 5985 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,1,0,0,0,0|2,0,1]=4 5986 B13R0.335 CCCCCCOCC(=O)NC(C)C 34a_100000210259_100000183996 [0,1,0,0,0,0|2,0,0]=3 5987 B13R0.335 CCCCCCOCC(=O)NC(C)C 7a_100000210259_100000183996 [0,1,0,0,0,0|2,0,0]=3 5988 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [0,1,0,0,0,0|1,0,0]=2 5989 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [0,1,0,0,0,0|1,0,0]=2 5990 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,1,0,0,0,0|2,0,1]=4 5991 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210757 [0,1,0,0,0,0|2,0,0]=3 5992 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000210314_100000183996 [0,1,0,0,0,0|2,0,0]=3 5993 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [0,1,0,0,0,0|1,0,0]=2 5994 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [0,1,0,0,0,0|1,0,0]=2 5995 B13R0.335 CCCCCNCCC(=O)NC(C)C 2230a_100000209983_100000737564 [0,1,0,0,0,0|2,0,0]=3 5996 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [0,1,0,0,0,0|1,0,0]=2 5997 B13R0.335 CCCCCOCCC(=O)NC(C)C 7a_100000210253_100000737564 [0,1,0,0,0,0|2,0,0]=3 5998 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [0,1,0,0,0,0|1,0,0]=2 5999 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000210326_100000737564 [0,1,0,0,0,0|2,0,0]=3 6000 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210326 [0,1,0,0,0,0|2,0,0]=3 6001 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [0,1,0,0,0,0|1,0,0]=2 6002 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [0,1,0,0,0,0|1,0,0]=2 6003 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [0,1,0,0,0,0|2,0,0]=3 6004 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [0,1,0,0,0,0|2,0,0]=3 6005 B13R0.335 CCCCOCNCC(=O)NC(C)C 2230a_100000168517_100011995733 [0,1,0,0,0,0|3,0,0]=4 6006 B13R0.335 CCCCOCSCC(=O)NC(C)C 62a_100000183996_100011995733 [0,1,0,0,0,0|3,0,0]=4 6007 B13R0.335 CCCCOCSCC(=O)NC(C)C 62a_100011995733_100000183996 [0,1,0,0,0,0|3,0,0]=4 6008 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011215430_100011995733 [0,1,0,0,0,0|2,0,0]=3 6009 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011995733_100011215430 [0,1,0,0,0,0|2,0,0]=3 6010 B13R0.335 CCCCSCCNC(=O)CC(C)C 11a_100025743550_100000210554 [0,1,0,0,0,0|3,0,0]=4 6011 B13R0.335 CCCCSCCNC(=O)CC(C)C 1626a_100025743550_100000210554 [0,1,0,0,0,0|3,0,0]=4 6012 B13R0.335 CCCCSCCNC(=O)CC(C)C 240690a_100025743550_100000210554 [0,1,0,0,0,0|3,0,0]=4 6013 B13R0.335 CCCCSCCNC(=O)CC(C)C 527a_100025743550_100000210554 [0,1,0,0,0,0|3,0,0]=4 6014 B13R0.335 CCCCSCCNC(=O)C[C@@H](C)O 240690a_100025743550_100011933948 [0,1,0,0,0,0|3,0,0]=4 6015 B13R0.335 CCCCSCCNC(=O)NC(C)C 2708a_100025743550_100138425928 [0,1,0,0,0,0|3,0,0]=4 6016 B13R0.335 CCCCSCCNC(=O)NC(C)C 2708a_100138425928_100025743550 [0,1,0,0,0,0|3,0,0]=4 6017 B13R0.335 CCCCSCCNC(=O)NC(C)C 273464a_100138425928_100025743550 [0,1,0,0,0,0|3,0,0]=4 6018 B13R0.335 CCCCSCCNC(=O)NC(C)C 512a_100025743550_100138425928 [0,1,0,0,0,0|3,0,0]=4 6019 B13R0.335 CCCCSCCNC(=O)NC(C)C 512a_100138425928_100025743550 [0,1,0,0,0,0|3,0,0]=4 6020 B13R0.335 CCCOCCCNC(=O)CC(C)C 1626a_100011217757_100000210554 [0,1,0,0,0,0|3,0,0]=4 6021 B13R0.335 CCCOCCCNC(=O)CC(C)C 240690a_100011217757_100000210554 [0,1,0,0,0,0|3,0,0]=4 6022 B13R0.335 CCCOCCCNC(=O)CC(C)C 527a_100011217757_100000210554 [0,1,0,0,0,0|3,0,0]=4 6023 B13R0.335 CCCOCCCNC(=O)C[C@@H](C)O 240690a_100011217757_100011933948 [0,1,0,0,0,0|3,0,0]=4 6024 B13R0.335 CCCOCCCNC(=O)NC(C)C 2708a_100011217757_100138425928 [0,1,0,0,0,0|3,0,0]=4 6025 B13R0.335 CCCOCCCNC(=O)NC(C)C 2708a_100138425928_100011217757 [0,1,0,0,0,0|3,0,0]=4 6026 B13R0.335 CCCOCCCNC(=O)NC(C)C 273464a_100138425928_100011217757 [0,1,0,0,0,0|3,0,0]=4 6027 B13R0.335 CCCOCCCNC(=O)NC(C)C 512a_100011217757_100138425928 [0,1,0,0,0,0|3,0,0]=4 6028 B13R0.335 CCCOCCCNC(=O)NC(C)C 512a_100138425928_100011217757 [0,1,0,0,0,0|3,0,0]=4 6029 B13R0.335 CCCOCCNCC(=O)NC(C)C 2230a_100000168517_100011215938 [0,1,0,0,0,0|3,0,0]=4 6030 B13R0.335 CCCOCCNCC(=O)NC(C)C 2230a_100161115042_100000183996 [0,1,0,0,0,0|3,0,0]=4 6031 B13R0.335 CCCOCCNCC(=O)NC(C)C 34a_100161115042_100000183996 [0,1,0,0,0,0|3,0,0]=4 6032 B13R0.335 CCCOCCNCC(=O)OC(C)C 2230a_100161115042_100011215430 [0,1,0,0,0,0|2,0,0]=3 6033 B13R0.335 CCCOCCNCC(=O)OC(C)C 34a_100161115042_100011215430 [0,1,0,0,0,0|2,0,0]=3 6034 B13R0.335 CCCOCCOCC(=O)NC(C)C 34a_100000752267_100000183996 [0,1,0,0,0,0|3,0,0]=4 6035 B13R0.335 CCCOCCOCC(=O)NC(C)C 7a_100000752267_100000183996 [0,1,0,0,0,0|3,0,0]=4 6036 B13R0.335 CCCOCCOCC(=O)OC(C)C 34a_100000752267_100011215430 [0,1,0,0,0,0|2,0,0]=3 6037 B13R0.335 CCCOCCOCC(=O)OC(C)C 7a_100000752267_100011215430 [0,1,0,0,0,0|2,0,0]=3 6038 B13R0.335 CCCOCCSCC(=O)NC(C)C 62a_100000183996_100011215938 [0,1,0,0,0,0|3,0,0]=4 6039 B13R0.335 CCCOCCSCC(=O)NC(C)C 62a_100011215938_100000183996 [0,1,0,0,0,0|3,0,0]=4 6040 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215430_100011215938 [0,1,0,0,0,0|2,0,0]=3 6041 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215938_100011215430 [0,1,0,0,0,0|2,0,0]=3 6042 B13R0.335 CCCSCCNCC(=O)NC(C)C 2230a_100020603323_100000183996 [0,1,0,0,0,0|3,0,0]=4 6043 B13R0.335 CCCSCCNCC(=O)OC(C)C 2230a_100020603323_100011215430 [0,1,0,0,0,0|2,0,0]=3 6044 B13R0.335 CCCSCCOCC(=O)NC(C)C 34a_200000230433_100000183996 [0,1,0,0,0,0|3,0,0]=4 6045 B13R0.335 CCCSCCOCC(=O)NC(C)C 7a_200000230433_100000183996 [0,1,0,0,0,0|3,0,0]=4 6046 B13R0.335 CCCSCCOCC(=O)OC(C)C 34a_200000230433_100011215430 [0,1,0,0,0,0|2,0,0]=3 6047 B13R0.335 CCCSCCOCC(=O)OC(C)C 7a_200000230433_100011215430 [0,1,0,0,0,0|2,0,0]=3 6048 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [0,1,0,0,0,0|1,0,0]=2 6049 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [0,1,0,0,0,0|1,0,0]=2 6050 B13R0.335 CCOCCCNCC(=O)NC(C)C 2230a_100000168517_100012232248 [0,1,0,0,0,0|3,0,0]=4 6051 B13R0.335 CCOCCCNCC(=O)NC(C)C 2230a_100000210961_100000183996 [0,1,0,0,0,0|3,0,0]=4 6052 B13R0.335 CCOCCCNCC(=O)NC(C)C 34a_100000210961_100000183996 [0,1,0,0,0,0|3,0,0]=4 6053 B13R0.335 CCOCCCNCC(=O)OC(C)C 2230a_100000210961_100011215430 [0,1,0,0,0,0|2,0,0]=3 6054 B13R0.335 CCOCCCNCC(=O)OC(C)C 34a_100000210961_100011215430 [0,1,0,0,0,0|2,0,0]=3 6055 B13R0.335 CCOCCCOCC(=O)NC(C)C 34a_100000757476_100000183996 [0,1,0,0,0,0|3,0,0]=4 6056 B13R0.335 CCOCCCOCC(=O)NC(C)C 7a_100000757476_100000183996 [0,1,0,0,0,0|3,0,0]=4 6057 B13R0.335 CCOCCCOCC(=O)OC(C)C 34a_100000757476_100011215430 [0,1,0,0,0,0|2,0,0]=3 6058 B13R0.335 CCOCCCOCC(=O)OC(C)C 7a_100000757476_100011215430 [0,1,0,0,0,0|2,0,0]=3 6059 B13R0.335 CCOCCCSCC(=O)NC(C)C 62a_100000183996_100012232248 [0,1,0,0,0,0|3,0,0]=4 6060 B13R0.335 CCOCCCSCC(=O)NC(C)C 62a_100012232248_100000183996 [0,1,0,0,0,0|3,0,0]=4 6061 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100011215430_100012232248 [0,1,0,0,0,0|2,0,0]=3 6062 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100012232248_100011215430 [0,1,0,0,0,0|2,0,0]=3 6063 B13R0.335 CCOCCNCCC(=O)NC(C)C 2230a_102516460346_100000737564 [0,1,0,0,0,0|3,0,0]=4 6064 B13R0.335 CCOCCNCCC(=O)OC(C)C 2230a_102516460346_100000760027 [0,1,0,0,0,0|2,0,0]=3 6065 B13R0.335 CCOCCOCCC(=O)CC(C)C 1458a_100000210554_100011211534 [0,1,0,0,0,0|3,0,0]=4 6066 B13R0.335 CCOCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011211534 [0,1,0,0,0,0|3,0,0]=4 6067 B13R0.335 CCOCCOCCC(=O)NC(C)C 7a_100000210136_100000737564 [0,1,0,0,0,0|3,0,0]=4 6068 B13R0.335 CCOCCOCCC(=O)OC(C)C 7a_100000210136_100000760027 [0,1,0,0,0,0|2,0,0]=3 6069 B13R0.335 CCOCCSCCC(=O)NC(C)C 62a_100000210147_100000737564 [0,1,0,0,0,0|3,0,0]=4 6070 B13R0.335 CCOCCSCCC(=O)NC(C)C 62a_100000737564_100011215890 [0,1,0,0,0,0|3,0,0]=4 6071 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000210147_100000760027 [0,1,0,0,0,0|2,0,0]=3 6072 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215890 [0,1,0,0,0,0|2,0,0]=3 6073 B13R0.335 CCOCCSCOC(=O)OC(C)C 62a_100000003507_100011215890 [0,1,0,0,0,0|3,0,0]=4 6074 B13R0.335 CCOCCSCOC(=O)OC(C)C 62a_100000210147_100000003507 [0,1,0,0,0,0|3,0,0]=4 6075 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [0,1,0,0,0,0|1,0,0]=2 6076 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [0,1,0,0,0,0|1,0,0]=2 6077 B13R0.335 CCSCCCOCC(=O)NC(C)C 34a_100011216438_100000183996 [0,1,0,0,0,0|3,0,0]=4 6078 B13R0.335 CCSCCCOCC(=O)NC(C)C 7a_100011216438_100000183996 [0,1,0,0,0,0|3,0,0]=4 6079 B13R0.335 CCSCCCOCC(=O)OC(C)C 34a_100011216438_100011215430 [0,1,0,0,0,0|2,0,0]=3 6080 B13R0.335 CCSCCCOCC(=O)OC(C)C 7a_100011216438_100011215430 [0,1,0,0,0,0|2,0,0]=3 6081 B13R0.335 CCSCCNCCC(=O)NC(C)C 2230a_100000106463_100000737564 [0,1,0,0,0,0|3,0,0]=4 6082 B13R0.335 CCSCCNCCC(=O)OC(C)C 2230a_100000106463_100000760027 [0,1,0,0,0,0|2,0,0]=3 6083 B13R0.335 CCSCCOCCC(=O)NC(C)C 7a_100000212035_100000737564 [0,1,0,0,0,0|3,0,0]=4 6084 B13R0.335 CCSCCOCCC(=O)OC(C)C 7a_100000212035_100000760027 [0,1,0,0,0,0|2,0,0]=3 6085 B13R0.335 CCSCCSCCC(=O)NC(C)C 62a_100000737564_100000757381 [0,1,0,0,0,0|3,0,0]=4 6086 B13R0.335 CCSCCSCCC(=O)NC(C)C 62a_100000757381_100000737564 [0,1,0,0,0,0|3,0,0]=4 6087 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000757381_100000760027 [0,1,0,0,0,0|2,0,0]=3 6088 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000760027_100000757381 [0,1,0,0,0,0|2,0,0]=3 6089 B13R0.335 CCSCCSCOC(=O)OC(C)C 62a_100000003507_100000757381 [0,1,0,0,0,0|3,0,0]=4 6090 B13R0.335 CCSCCSCOC(=O)OC(C)C 62a_100000757381_100000003507 [0,1,0,0,0,0|3,0,0]=4 6091 B13R0.335 CN(C)CC(=O)CCCCCCCO 1458a_100000750896_100000760002 [0,1,0,0,0,0|3,0,0]=4 6092 B13R0.335 COCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011998445 [0,1,0,0,0,0|2,0,1]=4 6093 B13R0.335 COCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011998445 [0,1,0,0,0,0|2,0,1]=4 6094 B13R0.335 COCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011998445 [0,1,0,0,0,0|2,0,1]=4 6095 B13R0.335 COCCCCCCC(=O)CC(C)C 1458a_100000210554_100011998445 [0,1,0,0,0,0|2,0,0]=3 6096 B13R0.335 COCCCCCCC(=O)CN(C)C 1458a_100000750896_100011998445 [0,1,0,0,0,0|3,0,0]=4 6097 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [0,1,0,0,0,0|2,0,0]=3 6098 B13R0.335 COCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011998445 [0,1,0,0,0,0|3,0,0]=4 6099 B13R0.335 COCCCCCNC(=O)CC(C)C 11a_100000747528_100000210554 [0,1,0,0,0,0|3,0,0]=4 6100 B13R0.335 COCCCCCNC(=O)CC(C)C 1626a_100000747528_100000210554 [0,1,0,0,0,0|3,0,0]=4 6101 B13R0.335 COCCCCCNC(=O)CC(C)C 240690a_100000747528_100000210554 [0,1,0,0,0,0|3,0,0]=4 6102 B13R0.335 COCCCCCNC(=O)CC(C)C 527a_100000747528_100000210554 [0,1,0,0,0,0|3,0,0]=4 6103 B13R0.335 COCCCCCNC(=O)C[C@@H](C)O 240690a_100000747528_100011933948 [0,1,0,0,0,0|3,0,0]=4 6104 B13R0.335 COCCCCCNC(=O)NC(C)C 2708a_100000747528_100138425928 [0,1,0,0,0,0|3,0,0]=4 6105 B13R0.335 COCCCCCNC(=O)NC(C)C 2708a_100138425928_100000747528 [0,1,0,0,0,0|3,0,0]=4 6106 B13R0.335 COCCCCCNC(=O)NC(C)C 273464a_100138425928_100000747528 [0,1,0,0,0,0|3,0,0]=4 6107 B13R0.335 COCCCCCNC(=O)NC(C)C 512a_100000747528_100138425928 [0,1,0,0,0,0|3,0,0]=4 6108 B13R0.335 COCCCCCNC(=O)NC(C)C 512a_100138425928_100000747528 [0,1,0,0,0,0|3,0,0]=4 6109 B13R0.335 COCCCCNCC(=O)NC(C)C 2230a_100000168517_100000730899 [0,1,0,0,0,0|3,0,0]=4 6110 B13R0.335 COCCCCOCC(=O)NC(C)C 34a_100000740925_100000183996 [0,1,0,0,0,0|3,0,0]=4 6111 B13R0.335 COCCCCOCC(=O)OC(C)C 34a_100000740925_100011215430 [0,1,0,0,0,0|2,0,0]=3 6112 B13R0.335 COCCCCSCC(=O)NC(C)C 62a_100000183996_100000730899 [0,1,0,0,0,0|3,0,0]=4 6113 B13R0.335 COCCCCSCC(=O)NC(C)C 62a_100000730899_100000183996 [0,1,0,0,0,0|3,0,0]=4 6114 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100000730899_100011215430 [0,1,0,0,0,0|2,0,0]=3 6115 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100011215430_100000730899 [0,1,0,0,0,0|2,0,0]=3 6116 B13R0.335 COCCCSCCC(=O)NC(C)C 62a_100000709357_100000737564 [0,1,0,0,0,0|3,0,0]=4 6117 B13R0.335 COCCCSCCC(=O)NC(C)C 62a_100000737564_100000709357 [0,1,0,0,0,0|3,0,0]=4 6118 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000709357_100000760027 [0,1,0,0,0,0|2,0,0]=3 6119 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000760027_100000709357 [0,1,0,0,0,0|2,0,0]=3 6120 B13R0.335 COCCCSCOC(=O)OC(C)C 62a_100000003507_100000709357 [0,1,0,0,0,0|3,0,0]=4 6121 B13R0.335 COCCCSCOC(=O)OC(C)C 62a_100000709357_100000003507 [0,1,0,0,0,0|3,0,0]=4 6122 B13R0.335 COCCOCCCC(=O)CC(C)C 1458a_100000210554_100011216529 [0,1,0,0,0,0|3,0,0]=4 6123 B13R0.335 COCCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216529 [0,1,0,0,0,0|3,0,0]=4 6124 B13R0.335 COCCOCSCC(=O)OC(C)C 62a_100000231047_100011215430 [0,1,0,0,0,0|3,0,0]=4 6125 B13R0.335 COCCOCSCC(=O)OC(C)C 62a_100011215430_100000231047 [0,1,0,0,0,0|3,0,0]=4 6126 B13R0.335 CSCCCCOCC(=O)NC(C)C 34a_100011217163_100000183996 [0,1,0,0,0,0|3,0,0]=4 6127 B13R0.335 CSCCCCOCC(=O)NC(C)C 7a_100011217163_100000183996 [0,1,0,0,0,0|3,0,0]=4 6128 B13R0.335 CSCCCCOCC(=O)OC(C)C 34a_100011217163_100011215430 [0,1,0,0,0,0|2,0,0]=3 6129 B13R0.335 CSCCCCOCC(=O)OC(C)C 7a_100011217163_100011215430 [0,1,0,0,0,0|2,0,0]=3 6130 B13R0.335 CSCCCNCCC(=O)NC(C)C 2230a_100000749238_100000737564 [0,1,0,0,0,0|3,0,0]=4 6131 B13R0.335 CSCCCNCCC(=O)OC(C)C 2230a_100000749238_100000760027 [0,1,0,0,0,0|2,0,0]=3 6132 B13R0.335 CSCCCOCCC(=O)NC(C)C 7a_100000690336_100000737564 [0,1,0,0,0,0|3,0,0]=4 6133 B13R0.335 CSCCCOCCC(=O)OC(C)C 7a_100000690336_100000760027 [0,1,0,0,0,0|2,0,0]=3 6134 B13R0.335 C[C@@H](O)CC(=O)CCCCCCC#N 1458a_100011933948_100009813337 [0,1,0,0,0,0|2,0,1]=4 6135 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [0,1,0,0,0,0|2,0,0]=3 6136 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCO 240690a_100000686447_100011933948 [0,1,0,0,0,0|3,0,0]=4 6137 B13R0.335 C[S+](C)CC(=O)CCCCCCCO 1458a_200159257847_100000760002 [0,1,0,0,0,0|3,0,0]=4 6138 B13R0.335 O=C(CCCCCCCO)CC(F)F 1458a_100011219782_100011934356 [0,1,0,0,0,0|3,0,0]=4 6139 B13R0.340 C#CC(C)C(=O)CCCCCCCC 1458a_100000210188_200000035995 [0,1,0,0,0,0|1,0,2]=4 6140 B13R0.340 C#CCCCCCCC(=O)C(C)CC 1458a_100000034748_100000758301 [0,1,0,0,0,0|1,0,2]=4 6141 B13R0.340 C#CCCCCCCC(=O)C(C)CC 1458a_100011192722_100012276617 [0,1,0,0,0,0|1,0,2]=4 6142 B13R0.340 C#CCCCCCCC(=O)C(O)CC 1458a_100011196387_100012276617 [0,1,0,0,0,0|1,0,2]=4 6143 B13R0.340 C#CCCCCCCC(=O)N(C)CC 11a_100000225621_100000034748 [0,1,0,0,0,0|1,0,2]=4 6144 B13R0.340 C#CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000034748 [0,1,0,0,0,0|1,0,2]=4 6145 B13R0.340 C#CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000034748 [0,1,0,0,0,0|1,0,2]=4 6146 B13R0.340 C#CCCCCCCC(=O)N(C)CC 527a_100000225621_100000034748 [0,1,0,0,0,0|1,0,2]=4 6147 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [0,1,0,0,0,0|1,0,1]=3 6148 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCO 1458a_100020587367_100000760002 [0,1,0,0,0,0|2,0,1]=4 6149 B13R0.340 C/C=C(\C)/C(=O)CCCCCCOC 1458a_100020587367_100011998445 [0,1,0,0,0,0|2,0,1]=4 6150 B13R0.340 C/C=C(\C)/C(=O)NCCCCCCC 11a_100000229938_100020587367 [0,1,0,0,0,0|2,0,1]=4 6151 B13R0.340 C/C=C(\C)/C(=O)NCCCCCCC 1626a_100000229938_100020587367 [0,1,0,0,0,0|2,0,1]=4 6152 B13R0.340 C=CC(C)C(=O)CCCCCCCC 1458a_100011216780_100000210759 [0,1,0,0,0,0|1,0,2]=4 6153 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215473 [0,1,0,0,0,0|1,0,2]=4 6154 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011809334_100000758301 [0,1,0,0,0,0|1,0,2]=4 6155 B13R0.340 C=CCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215473 [0,1,0,0,0,0|1,0,2]=4 6156 B13R0.340 C=CCCCCCCC(=O)N(C)CC 11a_100000225621_100011809334 [0,1,0,0,0,0|1,0,2]=4 6157 B13R0.340 C=CCCCCCCC(=O)N(C)CC 1626a_100000225621_100011809334 [0,1,0,0,0,0|1,0,2]=4 6158 B13R0.340 C=CCCCCCCC(=O)N(C)CC 240690a_100000225621_100011809334 [0,1,0,0,0,0|1,0,2]=4 6159 B13R0.340 C=CCCCCCCC(=O)N(C)CC 527a_100000225621_100011809334 [0,1,0,0,0,0|1,0,2]=4 6160 B13R0.340 CCC(C)C(=O)CCCCCCC#N 1458a_100011192722_100009813337 [0,1,0,0,0,0|2,0,1]=4 6161 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [0,1,0,0,0,0|2,0,0]=3 6162 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [0,1,0,0,0,0|2,0,0]=3 6163 B13R0.340 CCC(C)C(=O)CCCCCCOC 1458a_100011192722_100011998445 [0,1,0,0,0,0|2,0,0]=3 6164 B13R0.340 CCC(C)C(=O)CCCOCCOC 1458a_100011192722_100011216529 [0,1,0,0,0,0|3,0,0]=4 6165 B13R0.340 CCC(C)C(=O)NCCCCCCO 240690a_100000686447_100011192722 [0,1,0,0,0,0|3,0,0]=4 6166 B13R0.340 CCC(C)C(=O)NCCCCCCO 527a_100000686447_100011192722 [0,1,0,0,0,0|3,0,0]=4 6167 B13R0.340 CCC(C)C(=O)NCCCCCOC 11a_100000747528_100011192722 [0,1,0,0,0,0|3,0,0]=4 6168 B13R0.340 CCC(C)C(=O)NCCCCCOC 1626a_100000747528_100011192722 [0,1,0,0,0,0|3,0,0]=4 6169 B13R0.340 CCC(C)C(=O)NCCCCCOC 240690a_100000747528_100011192722 [0,1,0,0,0,0|3,0,0]=4 6170 B13R0.340 CCC(C)C(=O)NCCCCCOC 527a_100000747528_100011192722 [0,1,0,0,0,0|3,0,0]=4 6171 B13R0.340 CCC(O)C(=O)CCCCCCC#N 1458a_100011196387_100009813337 [0,1,0,0,0,0|2,0,1]=4 6172 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [0,1,0,0,0,0|2,0,0]=3 6173 B13R0.340 CCC(O)C(=O)CCCCCCOC 1458a_100011196387_100011998445 [0,1,0,0,0,0|2,0,0]=3 6174 B13R0.340 CCC(O)C(=O)CCCOCCOC 1458a_100011196387_100011216529 [0,1,0,0,0,0|3,0,0]=4 6175 B13R0.340 CCC(O)C(=O)NCCCCCCO 240690a_100000686447_100011196387 [0,1,0,0,0,0|3,0,0]=4 6176 B13R0.340 CCC(O)C(=O)NCCCCCOC 240690a_100000747528_100011196387 [0,1,0,0,0,0|3,0,0]=4 6177 B13R0.340 CCCCC/C=C/CC(=O)C(C)CC 1458a_100020675968_100000758301 [0,1,0,0,0,0|1,0,2]=4 6178 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020675968 [0,1,0,0,0,0|1,0,2]=4 6179 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020675968 [0,1,0,0,0,0|1,0,2]=4 6180 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020675968 [0,1,0,0,0,0|1,0,2]=4 6181 B13R0.340 CCCCCC#CCC(=O)C(C)CC 1458a_100011192722_100009816472 [0,1,0,0,0,0|1,0,2]=4 6182 B13R0.340 CCCCCC#CCC(=O)C(O)CC 1458a_100011196387_100009816472 [0,1,0,0,0,0|1,0,2]=4 6183 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [0,1,0,0,0,0|1,0,2]=4 6184 B13R0.340 CCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015324643 [0,1,0,0,0,0|1,0,2]=4 6185 B13R0.340 CCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015324643 [0,1,0,0,0,0|1,0,2]=4 6186 B13R0.340 CCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015324643 [0,1,0,0,0,0|1,0,2]=4 6187 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,1,0,0,0,0|2,0,0]=3 6188 B13R0.340 CCCCCCCCC(=O)C(C)C#N 1458a_100000210188_100000703298 [0,1,0,0,0,0|2,0,1]=4 6189 B13R0.340 CCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210759 [0,1,0,0,0,0|2,0,1]=4 6190 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,1,0,0,0,0|1,0,0]=2 6191 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,1,0,0,0,0|1,0,0]=2 6192 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [0,1,0,0,0,0|2,0,0]=3 6193 B13R0.340 CCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210759 [0,1,0,0,0,0|2,0,0]=3 6194 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,1,0,0,0,0|1,0,0]=2 6195 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [0,1,0,0,0,0|2,0,0]=3 6196 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [0,1,0,0,0,0|1,0,0]=2 6197 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [0,1,0,0,0,0|1,0,0]=2 6198 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [0,1,0,0,0,0|1,0,0]=2 6199 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [0,1,0,0,0,0|1,0,0]=2 6200 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,1,0,0,0,0|1,0,2]=4 6201 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,1,0,0,0,0|3,0,0]=4 6202 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,1,0,0,0,0|3,0,0]=4 6203 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,1,0,0,0,0|3,0,0]=4 6204 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,1,0,0,0,0|3,0,0]=4 6205 B13R0.340 CCCCCCCCN(C)C(C)CC 2230a_100000207567_100000758301 [0,1,0,0,0,0|3,0,0]=4 6206 B13R0.340 CCCCCCCCN(C)C(C)CC 2230a_100000741768_100000210759 [0,1,0,0,0,0|3,0,0]=4 6207 B13R0.340 CCCCCCCCN(C)C(C)CC 269982a_100000207567_100000758301 [0,1,0,0,0,0|3,0,0]=4 6208 B13R0.340 CCCCCCCCN(C)C(C)CC 269982a_100000741768_100000210759 [0,1,0,0,0,0|3,0,0]=4 6209 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,1,0,0,0,0|3,0,0]=4 6210 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,1,0,0,0,0|3,0,0]=4 6211 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,1,0,0,0,0|3,0,0]=4 6212 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,1,0,0,0,0|3,0,0]=4 6213 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,1,0,0,0,0|3,0,0]=4 6214 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,1,0,0,0,0|3,0,0]=4 6215 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,1,0,0,0,0|3,0,0]=4 6216 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [0,1,0,0,0,0|2,0,0]=3 6217 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [0,1,0,0,0,0|2,0,0]=3 6218 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [0,1,0,0,0,0|2,0,0]=3 6219 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [0,1,0,0,0,0|2,0,0]=3 6220 B13R0.340 CCCCCCCNC(=O)C(C)OC 11a_100000229938_100000743197 [0,1,0,0,0,0|3,0,0]=4 6221 B13R0.340 CCCCCCCNC(=O)C(C)OC 1626a_100000229938_100000743197 [0,1,0,0,0,0|3,0,0]=4 6222 B13R0.340 CCCCCCCNC(=O)C(C)OC 240690a_100000229938_100000743197 [0,1,0,0,0,0|3,0,0]=4 6223 B13R0.340 CCCCCCCNC(=O)C(C)OC 527a_100000229938_100000743197 [0,1,0,0,0,0|3,0,0]=4 6224 B13R0.340 CCCCCCCNC(=O)C(C)SC 11a_100000229938_100000149566 [0,1,0,0,0,0|3,0,0]=4 6225 B13R0.340 CCCCCCCNC(=O)C(C)SC 1626a_100000229938_100000149566 [0,1,0,0,0,0|3,0,0]=4 6226 B13R0.340 CCCCCCCNC(=O)C(C)SC 240690a_100000229938_100000149566 [0,1,0,0,0,0|3,0,0]=4 6227 B13R0.340 CCCCCCCNC(=O)C(C)SC 527a_100000229938_100000149566 [0,1,0,0,0,0|3,0,0]=4 6228 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [0,1,0,0,0,0|2,0,0]=3 6229 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [0,1,0,0,0,0|3,0,0]=4 6230 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [0,1,0,0,0,0|2,0,0]=3 6231 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [0,1,0,0,0,0|2,0,0]=3 6232 B13R0.340 CCCCCCNCC(=O)N(C)CC 2230a_100000210581_100000738999 [0,1,0,0,0,0|2,0,0]=3 6233 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100000210581_100000764215 [0,1,0,0,0,0|3,0,0]=4 6234 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210314 [0,1,0,0,0,0|3,0,0]=4 6235 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,1,0,0,0,0|3,0,0]=4 6236 B13R0.340 CCCCCCOCC(=O)N(C)CC 34a_100000210259_100000738999 [0,1,0,0,0,0|2,0,0]=3 6237 B13R0.340 CCCCCCOCC(=O)N(C)CC 7a_100000210259_100000738999 [0,1,0,0,0,0|2,0,0]=3 6238 B13R0.340 CCCCCCOCC(=O)N(C)OC 7a_100000210259_100000764215 [0,1,0,0,0,0|3,0,0]=4 6239 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,1,0,0,0,0|3,0,0]=4 6240 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,1,0,0,0,0|3,0,0]=4 6241 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000210314_100000738999 [0,1,0,0,0,0|2,0,0]=3 6242 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210757 [0,1,0,0,0,0|2,0,0]=3 6243 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000210314_100000764215 [0,1,0,0,0,0|3,0,0]=4 6244 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210757 [0,1,0,0,0,0|3,0,0]=4 6245 B13R0.340 CCCCNCCCC(=O)N(C)OC 7a_106832991798_100011842776 [0,1,0,0,0,0|3,0,0]=4 6246 B13R0.340 CCCCOCCCC(=O)N(C)OC 7a_100000210227_100011842776 [0,1,0,0,0,0|3,0,0]=4 6247 B13R0.340 CCCCOCSCC(=O)N(C)CC 62a_100000738999_100011995733 [0,1,0,0,0,0|3,0,0]=4 6248 B13R0.340 CCCCOCSCC(=O)N(C)CC 62a_100011995733_100000738999 [0,1,0,0,0,0|3,0,0]=4 6249 B13R0.340 CCCCSCCCC(=O)N(C)OC 62a_100000210211_100011842776 [0,1,0,0,0,0|3,0,0]=4 6250 B13R0.340 CCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210210 [0,1,0,0,0,0|3,0,0]=4 6251 B13R0.340 CCCCSCCNC(=O)C(C)CC 11a_100025743550_100011192722 [0,1,0,0,0,0|3,0,0]=4 6252 B13R0.340 CCCCSCCNC(=O)C(C)CC 1626a_100025743550_100011192722 [0,1,0,0,0,0|3,0,0]=4 6253 B13R0.340 CCCCSCCNC(=O)C(C)CC 240690a_100025743550_100011192722 [0,1,0,0,0,0|3,0,0]=4 6254 B13R0.340 CCCCSCCNC(=O)C(C)CC 527a_100025743550_100011192722 [0,1,0,0,0,0|3,0,0]=4 6255 B13R0.340 CCCCSCCNC(=O)C(O)CC 240690a_100025743550_100011196387 [0,1,0,0,0,0|3,0,0]=4 6256 B13R0.340 CCCCSCCNC(=O)N(C)CC 2708a_100025743550_100000225621 [0,1,0,0,0,0|3,0,0]=4 6257 B13R0.340 CCCCSCCNC(=O)N(C)CC 273464a_100025743550_100000225621 [0,1,0,0,0,0|3,0,0]=4 6258 B13R0.340 CCCOCCCNC(=O)C(C)CC 1626a_100011217757_100011192722 [0,1,0,0,0,0|3,0,0]=4 6259 B13R0.340 CCCOCCCNC(=O)C(C)CC 240690a_100011217757_100011192722 [0,1,0,0,0,0|3,0,0]=4 6260 B13R0.340 CCCOCCCNC(=O)C(C)CC 527a_100011217757_100011192722 [0,1,0,0,0,0|3,0,0]=4 6261 B13R0.340 CCCOCCCNC(=O)C(O)CC 240690a_100011217757_100011196387 [0,1,0,0,0,0|3,0,0]=4 6262 B13R0.340 CCCOCCCNC(=O)N(C)CC 2708a_100011217757_100000225621 [0,1,0,0,0,0|3,0,0]=4 6263 B13R0.340 CCCOCCCNC(=O)N(C)CC 273464a_100011217757_100000225621 [0,1,0,0,0,0|3,0,0]=4 6264 B13R0.340 CCCOCCNCC(=O)N(C)CC 2230a_100161115042_100000738999 [0,1,0,0,0,0|3,0,0]=4 6265 B13R0.340 CCCOCCNCC(=O)N(C)CC 34a_100161115042_100000738999 [0,1,0,0,0,0|3,0,0]=4 6266 B13R0.340 CCCOCCOCC(=O)N(C)CC 34a_100000752267_100000738999 [0,1,0,0,0,0|3,0,0]=4 6267 B13R0.340 CCCOCCOCC(=O)N(C)CC 7a_100000752267_100000738999 [0,1,0,0,0,0|3,0,0]=4 6268 B13R0.340 CCCOCCSCC(=O)N(C)CC 62a_100000738999_100011215938 [0,1,0,0,0,0|3,0,0]=4 6269 B13R0.340 CCCOCCSCC(=O)N(C)CC 62a_100011215938_100000738999 [0,1,0,0,0,0|3,0,0]=4 6270 B13R0.340 CCCSCCNCC(=O)N(C)CC 2230a_100020603323_100000738999 [0,1,0,0,0,0|3,0,0]=4 6271 B13R0.340 CCCSCCOCC(=O)N(C)CC 34a_200000230433_100000738999 [0,1,0,0,0,0|3,0,0]=4 6272 B13R0.340 CCCSCCOCC(=O)N(C)CC 7a_200000230433_100000738999 [0,1,0,0,0,0|3,0,0]=4 6273 B13R0.340 CCN(C)C(=O)CCCCCCCO 240690a_100000225621_100011219782 [0,1,0,0,0,0|2,0,0]=3 6274 B13R0.340 CCN(C)C(=O)CNCCCCCO 2230a_100000762737_100000738999 [0,1,0,0,0,0|3,0,0]=4 6275 B13R0.340 CCN(C)C(=O)CNCCCCCO 34a_100000762737_100000738999 [0,1,0,0,0,0|3,0,0]=4 6276 B13R0.340 CCN(C)C(=O)COCCCCCBr 34a_100000746331_100000738999 [0,1,0,0,0,0|3,0,0]=4 6277 B13R0.340 CCN(C)C(=O)COCCCCCBr 7a_100000746331_100000738999 [0,1,0,0,0,0|3,0,0]=4 6278 B13R0.340 CCN(C)C(=O)COCCCCCCl 34a_100000746330_100000738999 [0,1,0,0,0,0|3,0,0]=4 6279 B13R0.340 CCN(C)C(=O)COCCCCCCl 7a_100000746330_100000738999 [0,1,0,0,0,0|3,0,0]=4 6280 B13R0.340 CCN(C)C(=O)COCCCCCI 34a_200012148887_100000738999 [0,1,0,0,0,0|3,0,0]=4 6281 B13R0.340 CCN(C)C(=O)COCCCCCI 7a_200012148887_100000738999 [0,1,0,0,0,0|3,0,0]=4 6282 B13R0.340 CCN(C)C(=O)COCCCCCN 34a_100000762737_100000738999 [0,1,0,0,0,0|3,0,0]=4 6283 B13R0.340 CCN(C)C(=O)COCCCCOC 34a_100000740925_100000738999 [0,1,0,0,0,0|3,0,0]=4 6284 B13R0.340 CCN(C)C(=O)COCCCCSC 34a_100011217163_100000738999 [0,1,0,0,0,0|3,0,0]=4 6285 B13R0.340 CCN(C)C(=O)COCCCCSC 7a_100011217163_100000738999 [0,1,0,0,0,0|3,0,0]=4 6286 B13R0.340 CCN(C)C(=O)CSCCCCCF 62a_100000729378_100000738999 [0,1,0,0,0,0|3,0,0]=4 6287 B13R0.340 CCN(C)C(=O)CSCCCCCF 62a_100000738999_100000729378 [0,1,0,0,0,0|3,0,0]=4 6288 B13R0.340 CCN(C)C(=O)CSCCCCCO 62a_100000738999_100000746330 [0,1,0,0,0,0|3,0,0]=4 6289 B13R0.340 CCN(C)C(=O)CSCCCCCO 62a_100000746330_100000738999 [0,1,0,0,0,0|3,0,0]=4 6290 B13R0.340 CCN(C)C(=O)CSCCCCOC 62a_100000730899_100000738999 [0,1,0,0,0,0|3,0,0]=4 6291 B13R0.340 CCN(C)C(=O)CSCCCCOC 62a_100000738999_100000730899 [0,1,0,0,0,0|3,0,0]=4 6292 B13R0.340 CCN(C)C(=O)NCCCCCCO 273464a_100000686447_100000225621 [0,1,0,0,0,0|3,0,0]=4 6293 B13R0.340 CCN(C)C(=O)NCCCCCOC 2708a_100000747528_100000225621 [0,1,0,0,0,0|3,0,0]=4 6294 B13R0.340 CCN(C)C(=O)NCCCCCOC 273464a_100000747528_100000225621 [0,1,0,0,0,0|3,0,0]=4 6295 B13R0.340 CCOCCCNCC(=O)N(C)CC 2230a_100000210961_100000738999 [0,1,0,0,0,0|3,0,0]=4 6296 B13R0.340 CCOCCCNCC(=O)N(C)CC 34a_100000210961_100000738999 [0,1,0,0,0,0|3,0,0]=4 6297 B13R0.340 CCOCCCOCC(=O)N(C)CC 34a_100000757476_100000738999 [0,1,0,0,0,0|3,0,0]=4 6298 B13R0.340 CCOCCCOCC(=O)N(C)CC 7a_100000757476_100000738999 [0,1,0,0,0,0|3,0,0]=4 6299 B13R0.340 CCOCCCSCC(=O)N(C)CC 62a_100000738999_100012232248 [0,1,0,0,0,0|3,0,0]=4 6300 B13R0.340 CCOCCCSCC(=O)N(C)CC 62a_100012232248_100000738999 [0,1,0,0,0,0|3,0,0]=4 6301 B13R0.340 CCOCCOCCC(=O)C(C)CC 1458a_100011192722_100011211534 [0,1,0,0,0,0|3,0,0]=4 6302 B13R0.340 CCOCCOCCC(=O)C(O)CC 1458a_100011196387_100011211534 [0,1,0,0,0,0|3,0,0]=4 6303 B13R0.340 CCSCCCOCC(=O)N(C)CC 34a_100011216438_100000738999 [0,1,0,0,0,0|3,0,0]=4 6304 B13R0.340 CCSCCCOCC(=O)N(C)CC 7a_100011216438_100000738999 [0,1,0,0,0,0|3,0,0]=4 6305 B13R0.340 CNC(=O)C(=O)CCCCCCCO 1458a_100011218921_100000760002 [0,1,0,0,0,0|3,0,0]=4 6306 B13R0.340 CNC(=O)C(=O)CCCCCCOC 1458a_100011218921_100011998445 [0,1,0,0,0,0|3,0,0]=4 6307 B13R0.340 COC(C)C(=O)CCCCCCCO 1458a_100000743197_100000760002 [0,1,0,0,0,0|3,0,0]=4 6308 B13R0.340 COCCCCCCC(=O)C(C)OC 1458a_100000743197_100011998445 [0,1,0,0,0,0|3,0,0]=4 6309 B13R0.340 COCCCCCCC(=O)C(C)SC 1458a_100000149566_100011998445 [0,1,0,0,0,0|3,0,0]=4 6310 B13R0.340 COCCCCCCC(=O)C(O)CO 1458a_100011215603_100011998445 [0,1,0,0,0,0|3,0,0]=4 6311 B13R0.340 CSC(C)C(=O)CCCCCCCO 1458a_100000149566_100000760002 [0,1,0,0,0,0|3,0,0]=4 6312 B13R0.340 O=C(CCCCCCCO)C(O)CO 1458a_100011215603_100000760002 [0,1,0,0,0,0|3,0,0]=4 6313 B13R0.367 C#CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000184674 [0,1,0,0,0,0|0,0,3]=4 6314 B13R0.367 C#CCC(=O)CCCCC(=O)OCC 1458a_100011220946_100000750268 [0,1,0,0,0,0|0,0,3]=4 6315 B13R0.367 C#CCC(C)OCCCC(=O)OCC 34a_100000685586_100009991533 [0,1,0,0,0,0|1,0,2]=4 6316 B13R0.367 C#CCC(C)OCCCC(=O)OCC 7a_100000685586_100011215271 [0,1,0,0,0,0|1,0,2]=4 6317 B13R0.367 C#CCN(C)CCCCC(=O)OCC 2230a_100000225692_100000750268 [0,1,0,0,0,0|1,0,2]=4 6318 B13R0.367 C#CCN(C)CCCCC(=O)OCC 34a_100000225692_100000750268 [0,1,0,0,0,0|1,0,2]=4 6319 B13R0.367 C/C=C/C(C)OCCCC(=O)OCC 34a_200102604097_100009991533 [0,1,0,0,0,0|1,0,2]=4 6320 B13R0.367 C=CCC(=O)CCCCC(=O)OCC 1458a_100000210193_100000750268 [0,1,0,0,0,0|0,0,3]=4 6321 B13R0.367 C=CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210623 [0,1,0,0,0,0|0,0,3]=4 6322 B13R0.367 C=CCC(C)COCCC(=O)OCC 34a_100009832082_100000765890 [0,1,0,0,0,0|1,0,2]=4 6323 B13R0.367 C=CCC(C)COCCC(=O)OCC 7a_100009832082_100011206558 [0,1,0,0,0,0|1,0,2]=4 6324 B13R0.367 C=CCN(C)CCCCC(=O)OCC 2230a_100000225617_100000750268 [0,1,0,0,0,0|1,0,2]=4 6325 B13R0.367 C=CCN(C)CCCCC(=O)OCC 269982a_100000225617_100000750268 [0,1,0,0,0,0|1,0,2]=4 6326 B13R0.367 C=CC[C@@H](C)OCCCC(=O)OCC 34a_100000731007_100009991533 [0,1,0,0,0,0|1,0,2]=4 6327 B13R0.367 C=CC[C@@H](C)OCCCC(=O)OCC 7a_100000731007_100011215271 [0,1,0,0,0,0|1,0,2]=4 6328 B13R0.367 C=CC[C@@H](N)COCCC(=O)OCC 34a_100020615467_100000765890 [0,1,0,0,0,0|1,0,2]=4 6329 B13R0.367 C=COC(=O)COCCC(C)CCC 34a_100011217855_100000036128 [0,1,0,0,0,0|1,0,2]=4 6330 B13R0.367 C=COC(=O)COCC[C@@H](N)CCC 34a_100015193777_100000036128 [0,1,0,0,0,0|1,0,2]=4 6331 B13R0.367 CC#CC(=O)CCCCC(=O)OCC 1458a_100000763181_100000750268 [0,1,0,0,0,0|0,0,3]=4 6332 B13R0.367 CC#CC(C)OCCCC(=O)OCC 34a_100011216543_100009991533 [0,1,0,0,0,0|1,0,2]=4 6333 B13R0.367 CC=CC(=O)CCCCC(=O)OCC 1458a_100000210699_100000750268 [0,1,0,0,0,0|0,0,3]=4 6334 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,1,0,0,0,0|0,0,1]=2 6335 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,1,0,0,0,0|0,0,1]=2 6336 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,1,0,0,0,0|1,0,1]=3 6337 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [0,1,0,0,0,0|2,0,0]=3 6338 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000737597_100000747444 [0,1,0,0,0,0|2,0,1]=4 6339 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000747444_100000737597 [0,1,0,0,0,0|2,0,1]=4 6340 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [0,1,0,0,0,0|1,0,1]=3 6341 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [0,1,0,0,0,0|1,0,1]=3 6342 B13R0.367 CCCC(=O)CSCOC(=O)OCC 62a_100000747444_100000075025 [0,1,0,0,0,0|2,0,1]=4 6343 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [0,1,0,0,0,0|1,0,1]=3 6344 B13R0.367 CCCC(=O)OCOCC(C)CCC 34a_100000688023_100000034017 [0,1,0,0,0,0|3,0,0]=4 6345 B13R0.367 CCCC(=O)OCOC[C@@H](N)CCC 34a_100000732646_100000034017 [0,1,0,0,0,0|3,0,0]=4 6346 B13R0.367 CCCC(=O)OCSCC(=O)OCC 62a_100000188475_100000034017 [0,1,0,0,0,0|2,0,1]=4 6347 B13R0.367 CCCC(=O)OCSCC(C)CCC 62a_100011216630_100000034017 [0,1,0,0,0,0|3,0,0]=4 6348 B13R0.367 CCCC(C)CCOCC(=O)NCC 34a_100011217855_100000183381 [0,1,0,0,0,0|2,0,0]=3 6349 B13R0.367 CCCC(C)CCOCC(=O)NCC 7a_100011217855_100000183381 [0,1,0,0,0,0|2,0,0]=3 6350 B13R0.367 CCCC(C)CCOCC(=O)NCO 34a_100011217855_100000185155 [0,1,0,0,0,0|3,0,0]=4 6351 B13R0.367 CCCC(C)CCOCC(=O)NCO 7a_100011217855_100000185155 [0,1,0,0,0,0|3,0,0]=4 6352 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [0,1,0,0,0,0|1,0,0]=2 6353 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [0,1,0,0,0,0|1,0,0]=2 6354 B13R0.367 CCCC(C)CNCCC(=O)NCC 270004a_100025743525_100000243154 [0,1,0,0,0,0|2,0,0]=3 6355 B13R0.367 CCCC(C)CNCCC(=O)NCC 34a_100025743525_100011216630 [0,1,0,0,0,0|2,0,0]=3 6356 B13R0.367 CCCC(C)COCCC(=O)NCC 7a_100000688023_100000737597 [0,1,0,0,0,0|2,0,0]=3 6357 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [0,1,0,0,0,0|1,0,0]=2 6358 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [0,1,0,0,0,0|1,0,0]=2 6359 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100000737597_100011216630 [0,1,0,0,0,0|2,0,0]=3 6360 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100011216630_100000737597 [0,1,0,0,0,0|2,0,0]=3 6361 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [0,1,0,0,0,0|1,0,0]=2 6362 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [0,1,0,0,0,0|1,0,0]=2 6363 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [0,1,0,0,0,0|2,0,0]=3 6364 B13R0.367 CCCC(C)NC/C=C/C(=O)OCC 2230a_100000741246_100016267167 [0,1,0,0,0,0|1,0,2]=4 6365 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [0,1,0,0,0,0|1,0,0]=2 6366 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 34a_100000764384_100016267167 [0,1,0,0,0,0|1,0,2]=4 6367 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 7a_100000764384_100016267167 [0,1,0,0,0,0|1,0,2]=4 6368 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [0,1,0,0,0,0|1,0,0]=2 6369 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [0,1,0,0,0,0|1,0,0]=2 6370 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [0,1,0,0,0,0|1,0,0]=2 6371 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [0,1,0,0,0,0|2,0,0]=3 6372 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [0,1,0,0,0,0|2,0,0]=3 6373 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100000766640_100016267167 [0,1,0,0,0,0|1,0,2]=4 6374 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_100000766640 [0,1,0,0,0,0|1,0,2]=4 6375 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [0,1,0,0,0,0|1,0,0]=2 6376 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [0,1,0,0,0,0|1,0,0]=2 6377 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [0,1,0,0,0,0|2,0,0]=3 6378 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [0,1,0,0,0,0|1,0,0]=2 6379 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [0,1,0,0,0,0|1,0,0]=2 6380 B13R0.367 CCCN(C)CCOCC(=O)OCC 2230a_100000747261_100000088970 [0,1,0,0,0,0|2,0,0]=3 6381 B13R0.367 CCCN(C)CCOCC(=O)OCC 269982a_100000747261_100000088970 [0,1,0,0,0,0|2,0,0]=3 6382 B13R0.367 CCC[C@H](N)CCOCC(=O)NCC 34a_100015193777_100000183381 [0,1,0,0,0,0|2,0,0]=3 6383 B13R0.367 CCC[C@H](N)CCOCC(=O)NCO 34a_100015193777_100000185155 [0,1,0,0,0,0|3,0,0]=4 6384 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [0,1,0,0,0,0|1,0,0]=2 6385 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [0,1,0,0,0,0|1,0,0]=2 6386 B13R0.367 CCNC(=O)CCCCC(=O)OCC 11a_100015525214_100011217402 [0,1,0,0,0,0|1,0,1]=3 6387 B13R0.367 CCNC(=O)CCCCC(=O)OCC 240690a_100015525214_100011217402 [0,1,0,0,0,0|1,0,1]=3 6388 B13R0.367 CCNC(=O)CCCCC(=O)OCC 527a_100015525214_100011217402 [0,1,0,0,0,0|1,0,1]=3 6389 B13R0.367 CCNC(=O)CCNCC(=O)OCC 34a_100025743525_100000188475 [0,1,0,0,0,0|2,0,1]=4 6390 B13R0.367 CCNC(=O)CCNCC(O)COC 2230a_100000756049_100000737597 [0,1,0,0,0,0|3,0,0]=4 6391 B13R0.367 CCNC(=O)CCNCC(O)COC 34a_100025743525_100011215053 [0,1,0,0,0,0|3,0,0]=4 6392 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000188475_100000737597 [0,1,0,0,0,0|2,0,1]=4 6393 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000737597_100000188475 [0,1,0,0,0,0|2,0,1]=4 6394 B13R0.367 CCNC(=O)CCSCC(O)COC 62a_100000737597_100011215053 [0,1,0,0,0,0|3,0,0]=4 6395 B13R0.367 CCNC(=O)CCSCC(O)COC 62a_100011215053_100000737597 [0,1,0,0,0,0|3,0,0]=4 6396 B13R0.367 CCNC(=O)CNCCC(=O)OCC 2230a_100016988866_100011206558 [0,1,0,0,0,0|2,0,1]=4 6397 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000183381_100000765890 [0,1,0,0,0,0|2,0,1]=4 6398 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000183381 [0,1,0,0,0,0|2,0,1]=4 6399 B13R0.367 CCOC(=O)CCCCC(=O)CC#N 1458a_100011217402_100011214920 [0,1,0,0,0,0|1,0,2]=4 6400 B13R0.367 CCOC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000750268 [0,1,0,0,0,0|1,0,2]=4 6401 B13R0.367 CCOC(=O)CCCCC(=O)CCF 1458a_100011217402_100011217306 [0,1,0,0,0,0|1,0,1]=3 6402 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011216618_100000750268 [0,1,0,0,0,0|1,0,1]=3 6403 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011217402_100000211926 [0,1,0,0,0,0|1,0,1]=3 6404 B13R0.367 CCOC(=O)CCCCC(=O)COC 1458a_100000210968_100000750268 [0,1,0,0,0,0|1,0,1]=3 6405 B13R0.367 CCOC(=O)CCCCC(=O)CSC 1458a_100000184570_100000750268 [0,1,0,0,0,0|1,0,1]=3 6406 B13R0.367 CCOC(=O)CCCCC(=O)NNC 22a_100016993582_100011217402 [0,1,0,0,0,0|2,0,1]=4 6407 B13R0.367 CCOC(=O)CCCCN(C)CC#N 2230a_100000748184_100000750268 [0,1,0,0,0,0|2,0,1]=4 6408 B13R0.367 CCOC(=O)CCCCN(C)CCO 2230a_100000210263_100000750268 [0,1,0,0,0,0|2,0,0]=3 6409 B13R0.367 CCOC(=O)CCCCN(C)CCO 269982a_100000210263_100000750268 [0,1,0,0,0,0|2,0,0]=3 6410 B13R0.367 CCOC(=O)CCCNC(=O)CNC 2230a_106832991635_100000183181 [0,1,0,0,0,0|2,0,1]=4 6411 B13R0.367 CCOC(=O)CCCNC(=O)CNC 34a_100102657272_100000183181 [0,1,0,0,0,0|2,0,1]=4 6412 B13R0.367 CCOC(=O)CCCNC(=O)CNC 7a_106832991635_100000183181 [0,1,0,0,0,0|2,0,1]=4 6413 B13R0.367 CCOC(=O)CCCNC(=O)COC 188690a_100000211256_100000210968 [0,1,0,0,0,0|2,0,1]=4 6414 B13R0.367 CCOC(=O)CCCNC(=O)COC 34a_100138415774_100000183181 [0,1,0,0,0,0|2,0,1]=4 6415 B13R0.367 CCOC(=O)CCCNC(=O)CSC 188690a_100000211256_100000184570 [0,1,0,0,0,0|2,0,1]=4 6416 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_100000183181_200000210301 [0,1,0,0,0,0|2,0,1]=4 6417 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_200000210301_100000183181 [0,1,0,0,0,0|2,0,1]=4 6418 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_100000183181_200025704644 [0,1,0,0,0,0|2,0,1]=4 6419 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000183181 [0,1,0,0,0,0|2,0,1]=4 6420 B13R0.367 CCOC(=O)CCCN[C@@H](C)CC#N 2230a_100016994482_100009991533 [0,1,0,0,0,0|2,0,1]=4 6421 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100009991533 [0,1,0,0,0,0|2,0,0]=3 6422 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 34a_100000706166_100009991533 [0,1,0,0,0,0|2,0,0]=3 6423 B13R0.367 CCOC(=O)CCCN[C@H](C)COC 2230a_100000764878_100009991533 [0,1,0,0,0,0|2,0,0]=3 6424 B13R0.367 CCOC(=O)CCCOC(C)CC#N 7a_100012001163_100009813641 [0,1,0,0,0,0|2,0,1]=4 6425 B13R0.367 CCOC(=O)CCCOC(C)CCBr 34a_100012276601_100009991533 [0,1,0,0,0,0|2,0,0]=3 6426 B13R0.367 CCOC(=O)CCCOC(C)CCO 7a_100012001163_100009893172 [0,1,0,0,0,0|2,0,0]=3 6427 B13R0.367 CCOC(=O)CCCOC(C)COC 7a_100012001163_100000765312 [0,1,0,0,0,0|2,0,0]=3 6428 B13R0.367 CCOC(=O)CCCO[C@H](C)COC 34a_100011934205_100009991533 [0,1,0,0,0,0|2,0,0]=3 6429 B13R0.367 CCOC(=O)CCCSC(C)CC#N 62a_100009813641_100009991533 [0,1,0,0,0,0|2,0,1]=4 6430 B13R0.367 CCOC(=O)CCCSC(C)CC#N 62a_100009991533_100009813641 [0,1,0,0,0,0|2,0,1]=4 6431 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009893172_100009991533 [0,1,0,0,0,0|2,0,0]=3 6432 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009991533_100009893172 [0,1,0,0,0,0|2,0,0]=3 6433 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100000765312_100009991533 [0,1,0,0,0,0|2,0,0]=3 6434 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100009991533_100000765312 [0,1,0,0,0,0|2,0,0]=3 6435 B13R0.367 CCOC(=O)CCNCC(O)COC 2230a_100000756049_100011206558 [0,1,0,0,0,0|2,0,0]=3 6436 B13R0.367 CCOC(=O)CCNCC(O)COC 34a_100000756049_100000765890 [0,1,0,0,0,0|2,0,0]=3 6437 B13R0.367 CCOC(=O)CCOCC(C)CCN 34a_106354213184_100000765890 [0,1,0,0,0,0|2,0,0]=3 6438 B13R0.367 CCOC(=O)CCOCC(N)COC 34a_100000724102_100000765890 [0,1,0,0,0,0|2,0,0]=3 6439 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000188475_100000765890 [0,1,0,0,0,0|2,0,1]=4 6440 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000765890_100000188475 [0,1,0,0,0,0|2,0,1]=4 6441 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100000765890_100011215053 [0,1,0,0,0,0|2,0,0]=3 6442 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100011215053_100000765890 [0,1,0,0,0,0|2,0,0]=3 6443 B13R0.367 CCOC(=O)CCSC[C@@H](O)CC#N 62a_100000001066_100000765890 [0,1,0,0,0,0|2,0,1]=4 6444 B13R0.367 CCOC(=O)CCSC[C@@H](O)CC#N 62a_100000765890_100000001066 [0,1,0,0,0,0|2,0,1]=4 6445 B13R0.367 CCOC(=O)COCCC(=O)CCO 1458a_100011216618_100000088970 [0,1,0,0,0,0|2,0,1]=4 6446 B13R0.367 CCOC(=O)COCCC(=O)COC 1458a_100000210968_100000088970 [0,1,0,0,0,0|2,0,1]=4 6447 B13R0.367 CCOC(=O)COCCC(=O)CSC 1458a_100000184570_100000088970 [0,1,0,0,0,0|2,0,1]=4 6448 B13R0.367 CCOC(=O)COCCN(C)CCO 2230a_100000210263_100000088970 [0,1,0,0,0,0|3,0,0]=4 6449 B13R0.367 CCOC(=O)COCCN(C)CCO 269982a_100000210263_100000088970 [0,1,0,0,0,0|3,0,0]=4 6450 B13R0.367 CCOC(=O)NCCOC(C)CCO 34a_100000158857_100009893172 [0,1,0,0,0,0|3,0,0]=4 6451 B13R0.367 CCOC(=O)NCCOC(C)COC 34a_100000158857_100000765312 [0,1,0,0,0,0|3,0,0]=4 6452 B13R0.367 CCOC(=O)NCCSC(C)CCO 62a_100009893172_200011445536 [0,1,0,0,0,0|3,0,0]=4 6453 B13R0.367 CCOC(=O)NCCSC(C)COC 62a_100000765312_200011445536 [0,1,0,0,0,0|3,0,0]=4 6454 B13R0.367 CCOC(=O)OCSCC(O)COC 62a_100011215053_100000075025 [0,1,0,0,0,0|3,0,0]=4 6455 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011218563 [0,1,0,0,0,0|2,0,0]=3 6456 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011218563 [0,1,0,0,0,0|2,0,0]=3 6457 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 270084a_100000229938_100000211391 [0,1,0,0,0,0|3,0,0]=4 6458 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 274078a_100000229938_100000211391 [0,1,0,0,0,0|3,0,0]=4 6459 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 40a_100000229938_100000054278 [0,1,0,0,0,0|3,0,0]=4 6460 B13R0.1338 CCCCCCSC[Si](C)(C)OCC 62a_100000210314_200000065227 [0,1,0,0,0,0|2,1,0]=4 6461 B13R0.1338 CCCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210757 [0,1,0,0,0,0|2,1,0]=4 6462 B13R0.1338 CCCCNCCC[Si](C)(C)OCC 2230a_100000102301_100000070546 [0,1,0,0,0,0|2,1,0]=4 6463 B13R0.1338 CCCCNCCC[Si](C)(C)OCC 7a_106832991798_100000070546 [0,1,0,0,0,0|2,1,0]=4 6464 B13R0.1338 CCCCOCCC[Si](C)(C)OCC 34a_100000210227_100000070546 [0,1,0,0,0,0|2,1,0]=4 6465 B13R0.1338 CCCCOCCC[Si](C)(C)OCC 7a_100000210227_100000070546 [0,1,0,0,0,0|2,1,0]=4 6466 B13R0.1338 CCCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210210 [0,1,0,0,0,0|2,1,0]=4 6467 B13R0.1338 CCCCSCCC[Si](C)(C)OCC 62a_100000210211_100000070546 [0,1,0,0,0,0|2,1,0]=4 6468 B13R1.6 C#CCCCCN1CCOC(=O)C1 2230a_100000131268_100010269958 [0,0,0,1,0,0|1,0,2]=4 6469 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [0,0,0,1,0,0|1,0,2]=4 6470 B13R1.6 CC/C=C\CCN1CCOC(=O)C1 2230a_100000131268_100015370543 [0,0,0,1,0,0|1,0,2]=4 6471 B13R1.6 CCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210314 [0,0,0,1,0,0|3,0,0]=4 6472 B13R1.6 CCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210757 [0,0,0,1,0,0|3,0,0]=4 6473 B13R1.6 CCCCCCN1CCC=C(C1)C 34a_100000725631_100000210314 [0,0,0,1,0,0|3,0,0]=4 6474 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,0,0,1,0,0|2,0,0]=3 6475 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,0,0,1,0,0|1,0,0]=2 6476 B13R1.6 CCCCCCN1CCOC(C1)C 2230a_100000729577_100000210314 [0,0,0,1,0,0|2,0,1]=4 6477 B13R1.6 CCCCCCN1CCOC(C1)C 269982a_100000729577_100000210757 [0,0,0,1,0,0|2,0,1]=4 6478 B13R1.6 CCCCCCN1CCOC(C1)C 34a_100000729577_100000210314 [0,0,0,1,0,0|2,0,1]=4 6479 B13R1.6 CCCCCCN1CCOC(C1)O 2230a_100000688207_100000210314 [0,0,0,1,0,0|1,0,2]=4 6480 B13R1.6 CCCCCCN1CCOC(C1)O 269982a_100000688207_100000210757 [0,0,0,1,0,0|1,0,2]=4 6481 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,0,0,1,0,0|2,0,0]=3 6482 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,0,0,1,0,0|2,0,0]=3 6483 B13R1.6 CCCCCNC1CCOC(C1)C 270004a_100000209983_100000755752 [0,0,0,1,0,0|2,0,1]=4 6484 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,0,0,1,0,0|2,0,0]=3 6485 B13R1.6 CCCCCOC1CCOC(C1)C 34a_100011986385_100000718602 [0,0,0,1,0,0|2,0,1]=4 6486 B13R1.6 CCCCCOC1CCOC(C1)C 7a_100011986385_100000210326 [0,0,0,1,0,0|2,0,1]=4 6487 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,0,0,1,0,0|2,0,0]=3 6488 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,0,0,1,0,0|3,0,0]=4 6489 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,0,0,1,0,0|2,0,0]=3 6490 B13R1.6 CCCCOCN1CCNC(=O)C1 2230a_100000184651_100011995733 [0,0,0,1,0,0|3,0,0]=4 6491 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,0,0,1,0,0|2,0,0]=3 6492 B13R1.6 CCCOCCN1CCNC(=O)C1 2230a_100000184651_100011215938 [0,0,0,1,0,0|3,0,0]=4 6493 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,0,0,1,0,0|2,0,0]=3 6494 B13R1.6 CCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210202 [0,0,0,1,0,0|3,0,0]=4 6495 B13R1.6 CCOCCCN1CCNC(=O)C1 2230a_100000184651_100012232248 [0,0,0,1,0,0|3,0,0]=4 6496 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,0,0,1,0,0|2,0,0]=3 6497 B13R1.6 CCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215890 [0,0,0,1,0,0|3,0,0]=4 6498 B13R1.6 CCOCCNC1CCNC(=O)C1 34a_100016994916_100000210147 [0,0,0,1,0,0|3,0,0]=4 6499 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,0,0,1,0,0|3,0,0]=4 6500 B13R1.6 CCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210147 [0,0,0,1,0,0|3,0,0]=4 6501 B13R1.6 CCSCCNC1CCNC(=O)C1 2230a_100016994916_100000757381 [0,0,0,1,0,0|3,0,0]=4 6502 B13R1.6 CCSCCNC1CCNC(=O)C1 34a_100016994916_100000757381 [0,0,0,1,0,0|3,0,0]=4 6503 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,0,0,1,0,0|3,0,0]=4 6504 B13R1.6 CCSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757381 [0,0,0,1,0,0|3,0,0]=4 6505 B13R1.6 COCCCCN1CCNC(=O)C1 2230a_100000184651_100000730899 [0,0,0,1,0,0|3,0,0]=4 6506 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,0,0,1,0,0|2,0,0]=3 6507 B13R1.6 COCCCNC1CCNC(=O)C1 2230a_100016994916_100000740836 [0,0,0,1,0,0|3,0,0]=4 6508 B13R1.6 COCCCNC1CCNC(=O)C1 34a_100016994916_100000740836 [0,0,0,1,0,0|3,0,0]=4 6509 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,0,0,1,0,0|3,0,0]=4 6510 B13R1.6 COCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000740836 [0,0,0,1,0,0|3,0,0]=4 6511 B13R1.6 COCCOCC1CCNC(=O)C1 34a_100009886756_100011201679 [0,0,0,1,0,0|3,0,0]=4 6512 B13R1.6 COCCOCN1CCOC(=O)C1 2230a_100000131268_100000231047 [0,0,0,1,0,0|3,0,0]=4 6513 B13R1.6 CSCCOCC1CCNC(=O)C1 34a_100009886756_100000212216 [0,0,0,1,0,0|3,0,0]=4 6514 B13R1.6 N#CCCCCN1CCOC(=O)C1 2230a_100000131268_100000211819 [0,0,0,1,0,0|2,0,1]=4 6515 B13R1.6 O=C1CC(CCN1)COCCCF 34a_100009886756_100011934791 [0,0,0,1,0,0|3,0,0]=4 6516 B13R1.6 O=C1CC(CCN1)COCCCO 34a_100009886756_100000230001 [0,0,0,1,0,0|3,0,0]=4 6517 B13R1.6 O=C1CC(CCN1)NCCCCF 2230a_100016994916_100000729493 [0,0,0,1,0,0|3,0,0]=4 6518 B13R1.6 O=C1CC(CCN1)NCCCCF 34a_100016994916_100000729493 [0,0,0,1,0,0|3,0,0]=4 6519 B13R1.6 O=C1CC(CCN1)NCCCCO 2230a_100016994916_100000210776 [0,0,0,1,0,0|3,0,0]=4 6520 B13R1.6 O=C1CC(CCN1)NCCCCO 34a_100016994916_100011216708 [0,0,0,1,0,0|3,0,0]=4 6521 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,0,0,1,0,0|3,0,0]=4 6522 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,0,0,1,0,0|3,0,0]=4 6523 B13R1.6 O=C1CN(CCN1)CCCCCF 2230a_100000184651_100000729378 [0,0,0,1,0,0|3,0,0]=4 6524 B13R1.6 O=C1CN(CCN1)CCCCCO 2230a_100000184651_100000746330 [0,0,0,1,0,0|3,0,0]=4 6525 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,0,0,1,0,0|2,0,0]=3 6526 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,0,0,1,0,0|2,0,0]=3 6527 B13R1.6 O=C1CN(CCO1)CCOCCO 2230a_100000131268_100011215305 [0,0,0,1,0,0|3,0,0]=4 6528 B13R1.6 O=C1C[C@@H](CCN1)OCCCCF 34a_100015189427_100000729493 [0,0,0,1,0,0|3,0,0]=4 6529 B13R1.6 O=C1C[C@@H](CCN1)OCCCCO 34a_100015189427_100011216708 [0,0,0,1,0,0|3,0,0]=4 6530 B13R1.6 O=CCCCCN1CCOC(=O)C1 2230a_100000131268_100000139335 [0,0,0,1,0,0|2,0,1]=4 6531 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100000211375_100000184674 [0,0,0,1,0,0|1,0,2]=4 6532 B13R1.42 C#CCC(=O)CCC1CCCCC1 1458a_100011220946_100011273959 [0,0,0,1,0,0|1,0,2]=4 6533 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000210193_100011273959 [0,0,0,1,0,0|1,0,2]=4 6534 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210623 [0,0,0,1,0,0|1,0,2]=4 6535 B13R1.42 C=COC(=O)CNC1CCCCC1 2230a_100000182618_100000036128 [0,0,0,1,0,0|1,0,2]=4 6536 B13R1.42 C=COC(=O)CNC1CCCCC1 34a_100000182618_100000036128 [0,0,0,1,0,0|1,0,2]=4 6537 B13R1.42 C=COC(=O)COC1CCCCC1 34a_100000210231_100000036128 [0,0,0,1,0,0|1,0,2]=4 6538 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000036128_100000210327 [0,0,0,1,0,0|1,0,2]=4 6539 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000210327_100000036128 [0,0,0,1,0,0|1,0,2]=4 6540 B13R1.42 CC#CC(=O)CCC1CCCCC1 1458a_100000763181_100011273959 [0,0,0,1,0,0|1,0,1]=3 6541 B13R1.42 CC#CC(=O)CCC1CCOCC1 1458a_100000763181_100011934994 [0,0,0,1,0,0|2,0,1]=4 6542 B13R1.42 CC#CC(=O)CCN1CCCCC1 1458a_100000763181_100000739454 [0,0,0,1,0,0|2,0,1]=4 6543 B13R1.42 CC#CC(=O)COC1CCCCC1 1458a_100000763181_100011935260 [0,0,0,1,0,0|2,0,1]=4 6544 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [0,0,0,1,0,0|1,0,1]=3 6545 B13R1.42 CC=CC(=O)CCC1CCOCC1 1458a_100000210699_100011934994 [0,0,0,1,0,0|2,0,1]=4 6546 B13R1.42 CC=CC(=O)CCN1CCCCC1 1458a_100000210699_100000739454 [0,0,0,1,0,0|2,0,1]=4 6547 B13R1.42 CC=CC(=O)COC1CCCCC1 1458a_100000210699_100011935260 [0,0,0,1,0,0|2,0,1]=4 6548 B13R1.42 CC=CC(=O)NCC1CCCCC1 11a_100000210473_100000210699 [0,0,0,1,0,0|2,0,1]=4 6549 B13R1.42 CC=CC(=O)NCC1CCCCC1 1626a_100000210473_100000210699 [0,0,0,1,0,0|2,0,1]=4 6550 B13R1.42 CC=CC(=O)NCC1CCCCC1 240690a_100000210473_100000210699 [0,0,0,1,0,0|2,0,1]=4 6551 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [0,0,0,1,0,0|1,0,2]=4 6552 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,0,0,1,0,0|1,0,0]=2 6553 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,0,0,1,0,0|1,0,0]=2 6554 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [0,0,0,1,0,0|2,0,0]=3 6555 B13R1.42 CCCC(=O)CCC1OCCCO1 1458a_100000211992_100000764188 [0,0,0,1,0,0|3,0,0]=4 6556 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [0,0,0,1,0,0|2,0,0]=3 6557 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [0,0,0,1,0,0|2,0,0]=3 6558 B13R1.42 CCCC(=O)CCN1CCCCO1 1458a_200015184090_100000210303 [0,0,0,1,0,0|3,0,0]=4 6559 B13R1.42 CCCC(=O)CCN1CCOCC1 1458a_100000211992_100000753993 [0,0,0,1,0,0|3,0,0]=4 6560 B13R1.42 CCCC(=O)CCN1CCOCC1 1458a_100000749337_100000210303 [0,0,0,1,0,0|3,0,0]=4 6561 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [0,0,0,1,0,0|2,0,0]=3 6562 B13R1.42 CCCC(=O)CNC1CCCOC1 2230a_100000719290_100000747444 [0,0,0,1,0,0|3,0,0]=4 6563 B13R1.42 CCCC(=O)CNC1CCOCC1 2230a_100000741149_100000747444 [0,0,0,1,0,0|3,0,0]=4 6564 B13R1.42 CCCC(=O)CNC1CCSCC1 2230a_100000748639_100000747444 [0,0,0,1,0,0|3,0,0]=4 6565 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,0,0,1,0,0|2,0,0]=3 6566 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,0,0,1,0,0|2,0,0]=3 6567 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,0,0,1,0,0|2,0,0]=3 6568 B13R1.42 CCCC(=O)COC1CCCSC1 7a_100015962668_100000747444 [0,0,0,1,0,0|3,0,0]=4 6569 B13R1.42 CCCC(=O)COC1CCSCC1 7a_100000731022_100000747444 [0,0,0,1,0,0|3,0,0]=4 6570 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [0,0,0,1,0,0|2,0,0]=3 6571 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [0,0,0,1,0,0|2,0,0]=3 6572 B13R1.42 CCCC(=O)CSC1CCCOC1 62a_100000747444_100000693364 [0,0,0,1,0,0|3,0,0]=4 6573 B13R1.42 CCCC(=O)CSC1CCOCC1 62a_100000747444_100011324220 [0,0,0,1,0,0|3,0,0]=4 6574 B13R1.42 CCCC(=O)CSC1CCSCC1 62a_100000747444_100000069128 [0,0,0,1,0,0|3,0,0]=4 6575 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,0,0,1,0,0|2,0,0]=3 6576 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,0,0,1,0,0|2,0,0]=3 6577 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,0,0,1,0,0|2,0,0]=3 6578 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,0,0,1,0,0|2,0,0]=3 6579 B13R1.42 CCCC(=O)NCC1CCCCO1 11a_100000174945_100000211992 [0,0,0,1,0,0|3,0,0]=4 6580 B13R1.42 CCCC(=O)NCC1CCCCO1 1626a_100000174945_100000211992 [0,0,0,1,0,0|3,0,0]=4 6581 B13R1.42 CCCC(=O)NCC1CCCCO1 240690a_100000174945_100000211992 [0,0,0,1,0,0|3,0,0]=4 6582 B13R1.42 CCCC(=O)NCC1CCCCO1 527a_100000174945_100000211992 [0,0,0,1,0,0|3,0,0]=4 6583 B13R1.42 CCCC(=O)NCC1CCCOC1 11a_100000720124_100000211992 [0,0,0,1,0,0|3,0,0]=4 6584 B13R1.42 CCCC(=O)NCC1CCCOC1 1626a_100000720124_100000211992 [0,0,0,1,0,0|3,0,0]=4 6585 B13R1.42 CCCC(=O)NCC1CCCOC1 240690a_100000720124_100000211992 [0,0,0,1,0,0|3,0,0]=4 6586 B13R1.42 CCCC(=O)NCC1CCCOC1 527a_100000720124_100000211992 [0,0,0,1,0,0|3,0,0]=4 6587 B13R1.42 CCCC(=O)NCC1CCOCC1 11a_100000746373_100000211992 [0,0,0,1,0,0|3,0,0]=4 6588 B13R1.42 CCCC(=O)NCC1CCOCC1 1626a_100000746373_100000211992 [0,0,0,1,0,0|3,0,0]=4 6589 B13R1.42 CCCC(=O)NCC1CCOCC1 240690a_100000746373_100000211992 [0,0,0,1,0,0|3,0,0]=4 6590 B13R1.42 CCCC(=O)NCC1CCOCC1 527a_100000746373_100000211992 [0,0,0,1,0,0|3,0,0]=4 6591 B13R1.42 CCCC(=O)NCC1CCSCC1 11a_100015188806_100000211992 [0,0,0,1,0,0|3,0,0]=4 6592 B13R1.42 CCCC(=O)NCC1CCSCC1 240690a_100015188806_100000211992 [0,0,0,1,0,0|3,0,0]=4 6593 B13R1.42 CCCC(=O)NCC1CCSCC1 527a_100015188806_100000211992 [0,0,0,1,0,0|3,0,0]=4 6594 B13R1.42 CCCC(=O)NNC1CCCCC1 22a_100000709804_100000211992 [0,0,0,1,0,0|3,0,0]=4 6595 B13R1.42 CCCN(C)CCC1CCCCC1 2230a_100000747261_100012355289 [0,0,0,1,0,0|3,0,0]=4 6596 B13R1.42 CCCN(C)CCC1CCCCC1 269982a_100000747261_100011273959 [0,0,0,1,0,0|3,0,0]=4 6597 B13R1.42 CCCN(C)CCC1CCCCC1 270004a_100000747261_100011713444 [0,0,0,1,0,0|3,0,0]=4 6598 B13R1.42 CCNC(=O)C=CC1CCCCC1 11a_100015525214_100102566626 [0,0,0,1,0,0|1,0,2]=4 6599 B13R1.42 CCNC(=O)C=CC1CCCCC1 240690a_100015525214_100102566626 [0,0,0,1,0,0|1,0,2]=4 6600 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,0,0,1,0,0|1,0,0]=2 6601 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,0,0,1,0,0|1,0,0]=2 6602 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,0,0,1,0,0|1,0,0]=2 6603 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [0,0,0,1,0,0|2,0,0]=3 6604 B13R1.42 CCNC(=O)CCN1CCCCO1 240690a_100015525214_200015184090 [0,0,0,1,0,0|3,0,0]=4 6605 B13R1.42 CCNC(=O)CCN1CCCOC1 2230a_100000131196_100000737597 [0,0,0,1,0,0|3,0,0]=4 6606 B13R1.42 CCNC(=O)CCN1CCCOC1 269982a_100000131196_100000737597 [0,0,0,1,0,0|3,0,0]=4 6607 B13R1.42 CCNC(=O)CCN1CCOCC1 2230a_100015191051_100000737597 [0,0,0,1,0,0|3,0,0]=4 6608 B13R1.42 CCNC(=O)CCN1CCOCC1 240690a_100015525214_100000749337 [0,0,0,1,0,0|3,0,0]=4 6609 B13R1.42 CCNC(=O)CCN1CCOCC1 269982a_100015191051_100000737597 [0,0,0,1,0,0|3,0,0]=4 6610 B13R1.42 CCNC(=O)CCN1CCOCC1 527a_100015525214_100000749337 [0,0,0,1,0,0|3,0,0]=4 6611 B13R1.42 CCNC(=O)CCN1CCSCC1 2230a_100000737611_100000737597 [0,0,0,1,0,0|3,0,0]=4 6612 B13R1.42 CCNC(=O)CCN1CCSCC1 269982a_100000737611_100000737597 [0,0,0,1,0,0|3,0,0]=4 6613 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [0,0,0,1,0,0|2,0,0]=3 6614 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [0,0,0,1,0,0|2,0,0]=3 6615 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [0,0,0,1,0,0|2,0,0]=3 6616 B13R1.42 CCNC(=O)CNC1CCCOC1 2230a_100000719290_100000183381 [0,0,0,1,0,0|3,0,0]=4 6617 B13R1.42 CCNC(=O)CNC1CCCOC1 270004a_100016988866_100000753404 [0,0,0,1,0,0|3,0,0]=4 6618 B13R1.42 CCNC(=O)CNC1CCCOC1 34a_100000719290_100000183381 [0,0,0,1,0,0|3,0,0]=4 6619 B13R1.42 CCNC(=O)CNC1CCCSC1 270004a_100016988866_100000057913 [0,0,0,1,0,0|3,0,0]=4 6620 B13R1.42 CCNC(=O)CNC1CCNCC1 270004a_100016988866_100015192401 [0,0,0,1,0,0|3,0,0]=4 6621 B13R1.42 CCNC(=O)CNC1CCOCC1 2230a_100000741149_100000183381 [0,0,0,1,0,0|3,0,0]=4 6622 B13R1.42 CCNC(=O)CNC1CCOCC1 270004a_100016988866_100011217826 [0,0,0,1,0,0|3,0,0]=4 6623 B13R1.42 CCNC(=O)CNC1CCOCC1 34a_100000741149_100000183381 [0,0,0,1,0,0|3,0,0]=4 6624 B13R1.42 CCNC(=O)CNC1CCSCC1 2230a_100000748639_100000183381 [0,0,0,1,0,0|3,0,0]=4 6625 B13R1.42 CCNC(=O)CNC1CCSCC1 270004a_100016988866_100000203788 [0,0,0,1,0,0|3,0,0]=4 6626 B13R1.42 CCNC(=O)CNC1CCSCC1 34a_100000748639_100000183381 [0,0,0,1,0,0|3,0,0]=4 6627 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [0,0,0,1,0,0|2,0,0]=3 6628 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [0,0,0,1,0,0|2,0,0]=3 6629 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [0,0,0,1,0,0|2,0,0]=3 6630 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [0,0,0,1,0,0|2,0,0]=3 6631 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [0,0,0,1,0,0|2,0,0]=3 6632 B13R1.42 CCNC(=O)COC1CCCCO1 34a_100000033831_100000183381 [0,0,0,1,0,0|3,0,0]=4 6633 B13R1.42 CCNC(=O)COC1CCCOC1 34a_100000754041_100000183381 [0,0,0,1,0,0|3,0,0]=4 6634 B13R1.42 CCNC(=O)COC1CCCSC1 7a_100015962668_100000183381 [0,0,0,1,0,0|3,0,0]=4 6635 B13R1.42 CCNC(=O)COC1CCOCC1 34a_100000744328_100000183381 [0,0,0,1,0,0|3,0,0]=4 6636 B13R1.42 CCNC(=O)COC1CCSCC1 34a_100000731022_100000183381 [0,0,0,1,0,0|3,0,0]=4 6637 B13R1.42 CCNC(=O)COC1CCSCC1 7a_100000731022_100000183381 [0,0,0,1,0,0|3,0,0]=4 6638 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [0,0,0,1,0,0|2,0,0]=3 6639 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [0,0,0,1,0,0|2,0,0]=3 6640 B13R1.42 CCNC(=O)CSC1CCCOC1 62a_100000183381_100000693364 [0,0,0,1,0,0|3,0,0]=4 6641 B13R1.42 CCNC(=O)CSC1CCOCC1 62a_100000183381_100011324220 [0,0,0,1,0,0|3,0,0]=4 6642 B13R1.42 CCNC(=O)CSC1CCSCC1 62a_100000183381_100000069128 [0,0,0,1,0,0|3,0,0]=4 6643 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,0,0,1,0,0|2,0,0]=3 6644 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,0,0,1,0,0|2,0,0]=3 6645 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,0,0,1,0,0|2,0,0]=3 6646 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,0,0,1,0,0|2,0,0]=3 6647 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,0,0,1,0,0|2,0,0]=3 6648 B13R1.42 CCNC(=O)NCC1CCCCO1 2708a_100000174945_100015525214 [0,0,0,1,0,0|3,0,0]=4 6649 B13R1.42 CCNC(=O)NCC1CCCCO1 2708a_100015525214_100000174945 [0,0,0,1,0,0|3,0,0]=4 6650 B13R1.42 CCNC(=O)NCC1CCCCO1 273464a_100000174945_100015525214 [0,0,0,1,0,0|3,0,0]=4 6651 B13R1.42 CCNC(=O)NCC1CCCCO1 273464a_100015525214_100000174945 [0,0,0,1,0,0|3,0,0]=4 6652 B13R1.42 CCNC(=O)NCC1CCCCO1 512a_100000174945_100015525214 [0,0,0,1,0,0|3,0,0]=4 6653 B13R1.42 CCNC(=O)NCC1CCCCO1 512a_100015525214_100000174945 [0,0,0,1,0,0|3,0,0]=4 6654 B13R1.42 CCNC(=O)NCC1CCCOC1 2708a_100000720124_100015525214 [0,0,0,1,0,0|3,0,0]=4 6655 B13R1.42 CCNC(=O)NCC1CCCOC1 2708a_100015525214_100000720124 [0,0,0,1,0,0|3,0,0]=4 6656 B13R1.42 CCNC(=O)NCC1CCCOC1 273464a_100000720124_100015525214 [0,0,0,1,0,0|3,0,0]=4 6657 B13R1.42 CCNC(=O)NCC1CCCOC1 273464a_100015525214_100000720124 [0,0,0,1,0,0|3,0,0]=4 6658 B13R1.42 CCNC(=O)NCC1CCCOC1 512a_100000720124_100015525214 [0,0,0,1,0,0|3,0,0]=4 6659 B13R1.42 CCNC(=O)NCC1CCCOC1 512a_100015525214_100000720124 [0,0,0,1,0,0|3,0,0]=4 6660 B13R1.42 CCNC(=O)NCC1CCOCC1 2708a_100000746373_100015525214 [0,0,0,1,0,0|3,0,0]=4 6661 B13R1.42 CCNC(=O)NCC1CCOCC1 2708a_100015525214_100000746373 [0,0,0,1,0,0|3,0,0]=4 6662 B13R1.42 CCNC(=O)NCC1CCOCC1 273464a_100000746373_100015525214 [0,0,0,1,0,0|3,0,0]=4 6663 B13R1.42 CCNC(=O)NCC1CCOCC1 273464a_100015525214_100000746373 [0,0,0,1,0,0|3,0,0]=4 6664 B13R1.42 CCNC(=O)NCC1CCOCC1 512a_100000746373_100015525214 [0,0,0,1,0,0|3,0,0]=4 6665 B13R1.42 CCNC(=O)NCC1CCOCC1 512a_100015525214_100000746373 [0,0,0,1,0,0|3,0,0]=4 6666 B13R1.42 CCNC(=O)NCC1CCSCC1 2708a_100015188806_100015525214 [0,0,0,1,0,0|3,0,0]=4 6667 B13R1.42 CCNC(=O)NCC1CCSCC1 2708a_100015525214_100015188806 [0,0,0,1,0,0|3,0,0]=4 6668 B13R1.42 CCNC(=O)NCC1CCSCC1 273464a_100015188806_100015525214 [0,0,0,1,0,0|3,0,0]=4 6669 B13R1.42 CCNC(=O)NCC1CCSCC1 273464a_100015525214_100015188806 [0,0,0,1,0,0|3,0,0]=4 6670 B13R1.42 CCNC(=O)NCC1CCSCC1 512a_100015188806_100015525214 [0,0,0,1,0,0|3,0,0]=4 6671 B13R1.42 CCNC(=O)NCC1CCSCC1 512a_100015525214_100015188806 [0,0,0,1,0,0|3,0,0]=4 6672 B13R1.42 CCNC(=O)NNC1CCCCC1 273464a_100015525214_100000709804 [0,0,0,1,0,0|3,0,0]=4 6673 B13R1.42 CCOC(=O)CCN1CC=CCC1 2230a_100000698166_100011206558 [0,0,0,1,0,0|1,0,2]=4 6674 B13R1.42 CCOC(=O)CCN1CC=CCC1 269982a_100000698166_100011206558 [0,0,0,1,0,0|1,0,2]=4 6675 B13R1.42 CCOC(=O)CCN1CC=CCC1 34a_100000698166_100000765890 [0,0,0,1,0,0|1,0,2]=4 6676 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [0,0,0,1,0,0|2,0,0]=3 6677 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [0,0,0,1,0,0|2,0,0]=3 6678 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [0,0,0,1,0,0|2,0,0]=3 6679 B13R1.42 CCOC(=O)CCN1CCOCC1 2230a_100015191051_100011206558 [0,0,0,1,0,0|2,0,0]=3 6680 B13R1.42 CCOC(=O)CCN1CCOCC1 269982a_100015191051_100011206558 [0,0,0,1,0,0|2,0,0]=3 6681 B13R1.42 CCOC(=O)CCN1CCOCC1 34a_100015191051_100000765890 [0,0,0,1,0,0|2,0,0]=3 6682 B13R1.42 CCOC(=O)CCN1CCSCC1 2230a_100000737611_100011206558 [0,0,0,1,0,0|2,0,0]=3 6683 B13R1.42 CCOC(=O)CCN1CCSCC1 269982a_100000737611_100011206558 [0,0,0,1,0,0|2,0,0]=3 6684 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,0,0,1,0,0|1,0,0]=2 6685 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,0,0,1,0,0|1,0,0]=2 6686 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,0,0,1,0,0|2,0,0]=3 6687 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,0,0,1,0,0|2,0,0]=3 6688 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [0,0,0,1,0,0|2,0,0]=3 6689 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [0,0,0,1,0,0|2,0,0]=3 6690 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [0,0,0,1,0,0|2,0,0]=3 6691 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [0,0,0,1,0,0|2,0,0]=3 6692 B13R1.42 CCOC(=O)COC1C=CCCC1 34a_100011215024_100000188475 [0,0,0,1,0,0|1,0,2]=4 6693 B13R1.42 CCOC(=O)COC1CC=CCC1 34a_100000073881_100000188475 [0,0,0,1,0,0|1,0,2]=4 6694 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,0,0,1,0,0|1,0,0]=2 6695 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,0,0,1,0,0|1,0,0]=2 6696 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,0,0,1,0,0|2,0,0]=3 6697 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,0,0,1,0,0|2,0,0]=3 6698 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [0,0,0,1,0,0|2,0,0]=3 6699 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [0,0,0,1,0,0|2,0,0]=3 6700 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [0,0,0,1,0,0|2,0,0]=3 6701 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [0,0,0,1,0,0|2,0,0]=3 6702 B13R1.42 CCOC(=O)CSC1C=CCCC1 62a_100000188475_100000751183 [0,0,0,1,0,0|1,0,2]=4 6703 B13R1.42 CCOC(=O)CSC1C=CCCC1 62a_100000751183_100000188475 [0,0,0,1,0,0|1,0,2]=4 6704 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,0,0,1,0,0|1,0,0]=2 6705 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,0,0,1,0,0|1,0,0]=2 6706 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,0,0,1,0,0|2,0,0]=3 6707 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [0,0,0,1,0,0|2,0,0]=3 6708 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [0,0,0,1,0,0|2,0,0]=3 6709 B13R1.42 CCOC(C)CNC1CCCCC1 34a_100000202029_100000210202 [0,0,0,1,0,0|2,0,1]=4 6710 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [0,0,0,1,0,0|3,0,0]=4 6711 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [0,0,0,1,0,0|3,0,0]=4 6712 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [0,0,0,1,0,0|3,0,0]=4 6713 B13R1.42 CNNC(=O)CCC1CCCCC1 22a_100016993582_100000211375 [0,0,0,1,0,0|2,0,0]=3 6714 B13R1.42 CNNC(=O)CCN1CCCCC1 22a_100016993582_100000743487 [0,0,0,1,0,0|3,0,0]=4 6715 B13R1.42 CNNC(=O)COC1CCCCC1 22a_100016993582_100011223303 [0,0,0,1,0,0|3,0,0]=4 6716 B13R1.42 CNNC(=O)NCC1CCCCC1 273464a_100000210473_100016993582 [0,0,0,1,0,0|3,0,0]=4 6717 B13R1.42 CNNC(=O)NCC1CCCCC1 512a_100016993582_100000210473 [0,0,0,1,0,0|3,0,0]=4 6718 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,0,0,1,0,0|2,0,0]=3 6719 B13R1.42 COCC(=O)CCC1CCOCC1 1458a_100000210968_100011934994 [0,0,0,1,0,0|3,0,0]=4 6720 B13R1.42 COCC(=O)CCN1CCCCC1 1458a_100000210968_100000739454 [0,0,0,1,0,0|3,0,0]=4 6721 B13R1.42 COCC(=O)COC1CCCCC1 1458a_100000210968_100011935260 [0,0,0,1,0,0|3,0,0]=4 6722 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,0,0,1,0,0|3,0,0]=4 6723 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,0,0,1,0,0|3,0,0]=4 6724 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,0,0,1,0,0|3,0,0]=4 6725 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,0,0,1,0,0|3,0,0]=4 6726 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,0,0,1,0,0|3,0,0]=4 6727 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [0,0,0,1,0,0|2,0,0]=3 6728 B13R1.42 CSCC(=O)CCC1CCOCC1 1458a_100000184570_100011934994 [0,0,0,1,0,0|3,0,0]=4 6729 B13R1.42 CSCC(=O)CCN1CCCCC1 1458a_100000184570_100000739454 [0,0,0,1,0,0|3,0,0]=4 6730 B13R1.42 CSCC(=O)COC1CCCCC1 1458a_100000184570_100011935260 [0,0,0,1,0,0|3,0,0]=4 6731 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [0,0,0,1,0,0|3,0,0]=4 6732 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [0,0,0,1,0,0|3,0,0]=4 6733 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [0,0,0,1,0,0|3,0,0]=4 6734 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [0,0,0,1,0,0|3,0,0]=4 6735 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [0,0,0,1,0,0|3,0,0]=4 6736 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [0,0,0,1,0,0|3,0,0]=4 6737 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100000211375_100011214920 [0,0,0,1,0,0|2,0,1]=4 6738 B13R1.42 N#CCC(=O)CCC1CCCCC1 1458a_100051588842_100011273959 [0,0,0,1,0,0|2,0,1]=4 6739 B13R1.42 O=C(C=CBr)CCC1CCCCC1 1458a_100016273825_100011273959 [0,0,0,1,0,0|2,0,1]=4 6740 B13R1.42 O=C(C=CCl)CCC1CCCCC1 1458a_200016279998_100011273959 [0,0,0,1,0,0|2,0,1]=4 6741 B13R1.42 O=C(C=CI)CCC1CCCCC1 1458a_100016256311_100011273959 [0,0,0,1,0,0|2,0,1]=4 6742 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,0,0,1,0,0|2,0,0]=3 6743 B13R1.42 O=C(CCF)CCN1CCCCC1 1458a_100000743487_100011217306 [0,0,0,1,0,0|3,0,0]=4 6744 B13R1.42 O=C(CCF)COC1CCCCC1 1458a_100011223303_100011217306 [0,0,0,1,0,0|3,0,0]=4 6745 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,0,0,1,0,0|2,0,0]=3 6746 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,0,0,1,0,0|2,0,0]=3 6747 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,0,0,1,0,0|3,0,0]=4 6748 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [0,0,0,1,0,0|3,0,0]=4 6749 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [0,0,0,1,0,0|3,0,0]=4 6750 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [0,0,0,1,0,0|3,0,0]=4 6751 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [0,0,0,1,0,0|3,0,0]=4 6752 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,0,0,1,0,0|3,0,0]=4 6753 B13R1.42 O=C(CNC1CCCCC1)NCO 2230a_100000182618_100000185155 [0,0,0,1,0,0|3,0,0]=4 6754 B13R1.42 O=C(CNC1CCCCC1)NCO 34a_100000182618_100000185155 [0,0,0,1,0,0|3,0,0]=4 6755 B13R1.42 O=C(COC1CCCCC1)NCO 34a_100000210231_100000185155 [0,0,0,1,0,0|3,0,0]=4 6756 B13R1.42 O=C(COC1CCCCC1)NCO 7a_100000210231_100000185155 [0,0,0,1,0,0|3,0,0]=4 6757 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000185155_100000210327 [0,0,0,1,0,0|3,0,0]=4 6758 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000210327_100000185155 [0,0,0,1,0,0|3,0,0]=4 6759 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [0,0,0,1,0,0|3,0,0]=4 6760 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [0,0,0,1,0,0|3,0,0]=4 6761 B13R1.119 CCCCCCCCN1CCCC1 2230a_100000188435_100000210759 [0,0,0,1,0,0|3,0,0]=4 6762 B13R1.119 CCCCCCCCN1CCCC1 269982a_100000188435_100000210759 [0,0,0,1,0,0|3,0,0]=4 6763 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,0,0,1,0,0|2,0,1]=4 6764 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,0,0,1,0,0|2,0,1]=4 6765 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000036311_100000210314 [0,0,0,1,0,0|1,0,2]=4 6766 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000210581_100000755774 [0,0,0,1,0,0|1,0,2]=4 6767 B13R1.119 CCCCCCNCC1OCCO1 34a_100000036311_100000210314 [0,0,0,1,0,0|1,0,2]=4 6768 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,0,0,1,0,0|2,0,1]=4 6769 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,0,0,1,0,0|2,0,1]=4 6770 B13R1.119 CCCCCCOCC1=NCCN1 34a_100000210259_100000737910 [0,0,0,1,0,0|3,0,0]=4 6771 B13R1.119 CCCCCCOCC1=NCCN1 7a_100000210259_100000737910 [0,0,0,1,0,0|3,0,0]=4 6772 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,0,0,1,0,0|2,0,1]=4 6773 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,0,0,1,0,0|2,0,1]=4 6774 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,0,0,1,0,0|2,0,1]=4 6775 B13R1.119 CCCCCCOCC1OCCO1 34a_100000087154_100000210314 [0,0,0,1,0,0|1,0,2]=4 6776 B13R1.119 CCCCCCOCC1OCCO1 34a_100000210259_100000755774 [0,0,0,1,0,0|1,0,2]=4 6777 B13R1.119 CCCCCCOCC1OCCO1 7a_100000210259_100000755774 [0,0,0,1,0,0|1,0,2]=4 6778 B13R1.119 CCCCCCSCC1=NCCN1 62a_100000210314_100000737910 [0,0,0,1,0,0|3,0,0]=4 6779 B13R1.119 CCCCCCSCC1=NCCN1 62a_100000737910_100000210757 [0,0,0,1,0,0|3,0,0]=4 6780 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,0,0,1,0,0|2,0,1]=4 6781 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,0,0,1,0,0|2,0,1]=4 6782 B13R1.119 CCCCCCSCC1OCCO1 62a_100000210314_100000755774 [0,0,0,1,0,0|1,0,2]=4 6783 B13R1.119 CCCCCCSCC1OCCO1 62a_100000755774_100000210757 [0,0,0,1,0,0|1,0,2]=4 6784 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000034215_100000210326 [0,0,0,1,0,0|1,0,2]=4 6785 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000209983_100000740749 [0,0,0,1,0,0|1,0,2]=4 6786 B13R1.119 CCCCCNCCC1OCCO1 34a_100000034215_100000718602 [0,0,0,1,0,0|1,0,2]=4 6787 B13R1.119 CCCCCOCCC1OCCO1 34a_100000210253_100000740749 [0,0,0,1,0,0|1,0,2]=4 6788 B13R1.119 CCCCCOCCC1OCCO1 7a_100000210253_100000740749 [0,0,0,1,0,0|1,0,2]=4 6789 B13R1.119 CCCCCSCCC1OCCO1 62a_100000210326_100000740749 [0,0,0,1,0,0|1,0,2]=4 6790 B13R1.119 CCCCNCCCC1OCCO1 2230a_100000102301_100000042513 [0,0,0,1,0,0|1,0,2]=4 6791 B13R1.119 CCCCNCCCC1OCCO1 7a_106832991798_100000042513 [0,0,0,1,0,0|1,0,2]=4 6792 B13R1.119 CCCCOCCCC1OCCO1 34a_100000210227_100009861162 [0,0,0,1,0,0|1,0,2]=4 6793 B13R1.119 CCCCOCCCC1OCCO1 34a_100009871617_100000210210 [0,0,0,1,0,0|1,0,2]=4 6794 B13R1.119 CCCCOCCCC1OCCO1 7a_100000210227_100000042513 [0,0,0,1,0,0|1,0,2]=4 6795 B13R1.119 CCCCOCCCC1OCCO1 7a_100009871617_100000210211 [0,0,0,1,0,0|1,0,2]=4 6796 B13R1.119 CCCCSCCCC1OCCO1 62a_100000210211_100000042513 [0,0,0,1,0,0|1,0,2]=4 6797 B13R1.119 CCCOCCCCC1OCCO1 34a_100000210258_200009813554 [0,0,0,1,0,0|1,0,2]=4 6798 B13R1.119 CCCSCCCCC1OCCO1 62a_100000210303_100000034956 [0,0,0,1,0,0|1,0,2]=4 6799 B13R1.208 C#CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000038162 [0,0,0,1,0,0|1,0,2]=4 6800 B13R1.208 C=CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210623 [0,0,0,1,0,0|1,0,2]=4 6801 B13R1.208 C=CCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210623 [0,0,0,1,0,0|1,0,2]=4 6802 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000211992 [0,0,0,1,0,0|3,0,0]=4 6803 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000211992 [0,0,0,1,0,0|3,0,0]=4 6804 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000211992 [0,0,0,1,0,0|3,0,0]=4 6805 B13R1.208 CCCC1CCCC1N(C)CCC 270004a_100000747261_100000723119 [0,0,0,1,0,0|3,0,0]=4 6806 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210303 [0,0,0,1,0,0|2,0,0]=3 6807 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210303 [0,0,0,1,0,0|2,0,0]=3 6808 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210303 [0,0,0,1,0,0|2,0,0]=3 6809 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [0,0,0,1,0,0|1,0,0]=2 6810 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [0,0,0,1,0,0|1,0,0]=2 6811 B13R1.208 CCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210303 [0,0,0,1,0,0|2,0,0]=3 6812 B13R1.208 CCNC(=O)N1CCC[C@H]1COC 2708a_100015525214_100020646714 [0,0,0,1,0,0|3,0,0]=4 6813 B13R1.208 CCNC(=O)N1CCC[C@H]1COC 273464a_100015525214_100020646714 [0,0,0,1,0,0|3,0,0]=4 6814 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCF 2230a_100020641767_100011217306 [0,0,0,1,0,0|3,0,0]=4 6815 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCF 269982a_100020641767_100011217306 [0,0,0,1,0,0|3,0,0]=4 6816 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCF 34a_100020641767_100011217306 [0,0,0,1,0,0|3,0,0]=4 6817 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCO 2230a_100020641767_100000211926 [0,0,0,1,0,0|3,0,0]=4 6818 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCO 269982a_100020641767_100000211926 [0,0,0,1,0,0|3,0,0]=4 6819 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCO 34a_100020641767_100000211926 [0,0,0,1,0,0|3,0,0]=4 6820 B13R1.208 CCNC(=O)[C@@H]1CCCN1COC 2230a_100020641767_100000766300 [0,0,0,1,0,0|3,0,0]=4 6821 B13R1.208 CCNC(=O)[C@@H]1CCCN1COC 269982a_100020641767_100000766300 [0,0,0,1,0,0|3,0,0]=4 6822 B13R1.208 CCNC(=O)[C@@H]1CCCN1CSC 2230a_100020641767_100011218213 [0,0,0,1,0,0|3,0,0]=4 6823 B13R1.208 CCNC(=O)[C@@H]1CCCN1CSC 269982a_100020641767_100011218213 [0,0,0,1,0,0|3,0,0]=4 6824 B13R1.208 CCNC(=O)[C@@H]1CCCN1CSC 34a_100020641767_100011218213 [0,0,0,1,0,0|3,0,0]=4 6825 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC#N 2230a_100000703725_100011215382 [0,0,0,1,0,0|2,0,1]=4 6826 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC#N 269982a_100000703725_100011214920 [0,0,0,1,0,0|2,0,1]=4 6827 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC=O 2230a_100000703725_200015260668 [0,0,0,1,0,0|2,0,1]=4 6828 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC=O 269982a_100000703725_200015260668 [0,0,0,1,0,0|2,0,1]=4 6829 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 2230a_100000703725_100011217306 [0,0,0,1,0,0|2,0,0]=3 6830 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 269982a_100000703725_100011217306 [0,0,0,1,0,0|2,0,0]=3 6831 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 2230a_100000703725_100000211926 [0,0,0,1,0,0|2,0,0]=3 6832 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 269982a_100000703725_100000211926 [0,0,0,1,0,0|2,0,0]=3 6833 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 2230a_100000703725_100000766300 [0,0,0,1,0,0|2,0,0]=3 6834 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 269982a_100000703725_100000766300 [0,0,0,1,0,0|2,0,0]=3 6835 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 2230a_100000703725_100011218213 [0,0,0,1,0,0|2,0,0]=3 6836 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 269982a_100000703725_100011218213 [0,0,0,1,0,0|2,0,0]=3 6837 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [0,0,0,1,0,0|1,0,0]=2 6838 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCF 7a_200015395474_100015361967 [0,0,0,1,0,0|2,0,0]=3 6839 B13R1.208 CCOC(=O)[C@@H]1CSCN1CCF 269982a_100016989239_100011217306 [0,0,0,1,0,0|3,0,0]=4 6840 B13R1.208 CCOC(=O)[C@@H]1CSCN1CCO 269982a_100016989239_100000211926 [0,0,0,1,0,0|3,0,0]=4 6841 B13R1.208 CCOC(=O)[C@@H]1CSCN1COC 269982a_100016989239_100000766300 [0,0,0,1,0,0|3,0,0]=4 6842 B13R1.208 CCOC(=O)[C@@H]1CSCN1CSC 269982a_100016989239_100011218213 [0,0,0,1,0,0|3,0,0]=4 6843 B13R1.223 CCCC(=O)CN1CCC1COC 2230a_100015195929_100000747444 [0,0,0,1,0,0|3,0,0]=4 6844 B13R1.223 CCCC(=O)CN1CCC1COC 269982a_100015195929_100000747444 [0,0,0,1,0,0|3,0,0]=4 6845 B13R1.223 CCNC(=O)CN1CCC1COC 2230a_100015195929_100000183381 [0,0,0,1,0,0|3,0,0]=4 6846 B13R1.223 CCNC(=O)CN1CCC1COC 269982a_100015195929_100000183381 [0,0,0,1,0,0|3,0,0]=4 6847 B13R1.223 CCNC(=O)CN1CCC1COC 34a_100015195929_100000183381 [0,0,0,1,0,0|3,0,0]=4 6848 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [0,0,0,1,0,0|2,0,0]=3 6849 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [0,0,0,1,0,0|2,0,0]=3 6850 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [0,0,0,1,0,0|2,0,0]=3 6851 B13R1.362 CCCCCCCCN1CC(C1)C 2230a_100000702820_100000210759 [0,0,0,1,0,0|3,0,0]=4 6852 B13R1.362 CCCCCCCCN1CC(C1)C 269982a_100000702820_100000210759 [0,0,0,1,0,0|3,0,0]=4 6853 B13R1.362 CCCCCCCCN1CC(C1)C 34a_100000702820_100000210759 [0,0,0,1,0,0|3,0,0]=4 6854 B13R1.369 CCCNCC1CCC(=CC1C)C 269862a_100020643023_100000075207 [0,0,0,1,0,0|3,0,0]=4 6855 B13R1.404 C#CCC(=O)CCCC1CCCC1 1458a_100011220946_100011713738 [0,0,0,1,0,0|1,0,2]=4 6856 B13R1.404 C=CCC(=O)CCCC1CCCC1 1458a_100000210193_100011713738 [0,0,0,1,0,0|1,0,2]=4 6857 B13R1.404 C=COC(=O)CNCC1CCCC1 2230a_100000737975_100000036128 [0,0,0,1,0,0|1,0,2]=4 6858 B13R1.404 C=COC(=O)CNCC1CCCC1 34a_100000737975_100000036128 [0,0,0,1,0,0|1,0,2]=4 6859 B13R1.404 C=COC(=O)COCC1CCCC1 34a_100000742336_100000036128 [0,0,0,1,0,0|1,0,2]=4 6860 B13R1.404 C=COC(=O)CSCC1CCCC1 62a_100000036128_100000740388 [0,0,0,1,0,0|1,0,2]=4 6861 B13R1.404 C=COC(=O)CSCC1CCCC1 62a_100000740388_100000036128 [0,0,0,1,0,0|1,0,2]=4 6862 B13R1.404 CC#CC(=O)CCCC1CCCC1 1458a_100000763181_100011713738 [0,0,0,1,0,0|1,0,1]=3 6863 B13R1.404 CC#CC(=O)CCCN1CCCC1 1458a_100000763181_100011445909 [0,0,0,1,0,0|2,0,1]=4 6864 B13R1.404 CC=CC(=O)CCCC1CCCC1 1458a_100000210699_100011713738 [0,0,0,1,0,0|1,0,1]=3 6865 B13R1.404 CC=CC(=O)CCCN1CCCC1 1458a_100000210699_100011445909 [0,0,0,1,0,0|2,0,1]=4 6866 B13R1.404 CC=CC(=O)NCCC1CCCC1 11a_100000739158_100000210699 [0,0,0,1,0,0|2,0,1]=4 6867 B13R1.404 CC=CC(=O)NCCC1CCCC1 1626a_100000739158_100000210699 [0,0,0,1,0,0|2,0,1]=4 6868 B13R1.404 CC=CC(=O)NCCC1CCCC1 240690a_100000739158_100000210699 [0,0,0,1,0,0|2,0,1]=4 6869 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,0,0,1,0,0|1,0,0]=2 6870 B13R1.404 CCCC(=O)CCCC1OCCO1 1458a_100000211992_100000042513 [0,0,0,1,0,0|3,0,0]=4 6871 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000211992_100011445909 [0,0,0,1,0,0|2,0,0]=3 6872 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210303 [0,0,0,1,0,0|2,0,0]=3 6873 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [0,0,0,1,0,0|2,0,0]=3 6874 B13R1.404 CCCC(=O)CNCC1CCOC1 2230a_100000737293_100000747444 [0,0,0,1,0,0|3,0,0]=4 6875 B13R1.404 CCCC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747444 [0,0,0,1,0,0|3,0,0]=4 6876 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,0,0,1,0,0|2,0,0]=3 6877 B13R1.404 CCCC(=O)COCC1CCCO1 1458a_100011223388_100000210303 [0,0,0,1,0,0|3,0,0]=4 6878 B13R1.404 CCCC(=O)COCC1CCCO1 7a_100000210270_100000747444 [0,0,0,1,0,0|3,0,0]=4 6879 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [0,0,0,1,0,0|2,0,0]=3 6880 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [0,0,0,1,0,0|2,0,0]=3 6881 B13R1.404 CCCC(=O)CSCC1CCCO1 1458a_100000217298_100000210303 [0,0,0,1,0,0|3,0,0]=4 6882 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000203698_100000747444 [0,0,0,1,0,0|3,0,0]=4 6883 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000747444_100000203698 [0,0,0,1,0,0|3,0,0]=4 6884 B13R1.404 CCCC(=O)CSCC1CCOC1 62a_100000702531_100000747444 [0,0,0,1,0,0|3,0,0]=4 6885 B13R1.404 CCCC(=O)CSCC1CCOC1 62a_100000747444_100000702531 [0,0,0,1,0,0|3,0,0]=4 6886 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [0,0,0,1,0,0|2,0,0]=3 6887 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [0,0,0,1,0,0|2,0,0]=3 6888 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [0,0,0,1,0,0|2,0,0]=3 6889 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [0,0,0,1,0,0|2,0,0]=3 6890 B13R1.404 CCCC(=O)NCCN1CCCC1 240690a_100000212299_100000211992 [0,0,0,1,0,0|3,0,0]=4 6891 B13R1.404 CCCC(=O)OCNC1CCCC1 2230a_100000211070_100000034017 [0,0,0,1,0,0|3,0,0]=4 6892 B13R1.404 CCCC(=O)OCNC1CCCC1 34a_100000211070_100000034017 [0,0,0,1,0,0|3,0,0]=4 6893 B13R1.404 CCCC(=O)OCOC1CCCC1 34a_100000210269_100000034017 [0,0,0,1,0,0|3,0,0]=4 6894 B13R1.404 CCCC(=O)OCSC1CCCC1 62a_100011217020_100000034017 [0,0,0,1,0,0|3,0,0]=4 6895 B13R1.404 CCCN(C)CCCC1CCCC1 2230a_100000747261_100011713738 [0,0,0,1,0,0|3,0,0]=4 6896 B13R1.404 CCCN(C)CCCC1CCCC1 2230a_100015186261_100000210303 [0,0,0,1,0,0|3,0,0]=4 6897 B13R1.404 CCCN(C)CCCC1CCCC1 269982a_100000747261_100011713738 [0,0,0,1,0,0|3,0,0]=4 6898 B13R1.404 CCCN(C)CCCC1CCCC1 269982a_100015186261_100000210303 [0,0,0,1,0,0|3,0,0]=4 6899 B13R1.404 CCCN(C)CCCC1CCCC1 34a_100015186261_100000210303 [0,0,0,1,0,0|3,0,0]=4 6900 B13R1.404 CCNC(=O)CCCN1CCCC1 240690a_100015525214_100000743284 [0,0,0,1,0,0|2,0,0]=3 6901 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [0,0,0,1,0,0|2,0,0]=3 6902 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [0,0,0,1,0,0|2,0,0]=3 6903 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [0,0,0,1,0,0|2,0,0]=3 6904 B13R1.404 CCNC(=O)CCNC1CCOC1 270004a_100025743525_100000752484 [0,0,0,1,0,0|3,0,0]=4 6905 B13R1.404 CCNC(=O)CCNC1CCOC1 34a_100025743525_100000690089 [0,0,0,1,0,0|3,0,0]=4 6906 B13R1.404 CCNC(=O)CCNC1CCSC1 270004a_100025743525_100000212027 [0,0,0,1,0,0|3,0,0]=4 6907 B13R1.404 CCNC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000737597 [0,0,0,1,0,0|3,0,0]=4 6908 B13R1.404 CCNC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000737597 [0,0,0,1,0,0|3,0,0]=4 6909 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [0,0,0,1,0,0|2,0,0]=3 6910 B13R1.404 CCNC(=O)CCOC1CCSC1 7a_100011232664_100000737597 [0,0,0,1,0,0|3,0,0]=4 6911 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [0,0,0,1,0,0|2,0,0]=3 6912 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [0,0,0,1,0,0|2,0,0]=3 6913 B13R1.404 CCNC(=O)CCSC1CCOC1 62a_100000737597_100000690089 [0,0,0,1,0,0|3,0,0]=4 6914 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [0,0,0,1,0,0|2,0,0]=3 6915 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [0,0,0,1,0,0|2,0,0]=3 6916 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [0,0,0,1,0,0|2,0,0]=3 6917 B13R1.404 CCNC(=O)CNCC1CCCO1 2230a_100016988866_100000203698 [0,0,0,1,0,0|3,0,0]=4 6918 B13R1.404 CCNC(=O)CNCC1CCOC1 2230a_100000737293_100000183381 [0,0,0,1,0,0|3,0,0]=4 6919 B13R1.404 CCNC(=O)CNCC1CCOC1 2230a_100016988866_100000702531 [0,0,0,1,0,0|3,0,0]=4 6920 B13R1.404 CCNC(=O)CNCC1CCOC1 34a_100000737293_100000183381 [0,0,0,1,0,0|3,0,0]=4 6921 B13R1.404 CCNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183381 [0,0,0,1,0,0|3,0,0]=4 6922 B13R1.404 CCNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183381 [0,0,0,1,0,0|3,0,0]=4 6923 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [0,0,0,1,0,0|2,0,0]=3 6924 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [0,0,0,1,0,0|2,0,0]=3 6925 B13R1.404 CCNC(=O)COCC1CCCO1 11a_100015525214_100011223388 [0,0,0,1,0,0|3,0,0]=4 6926 B13R1.404 CCNC(=O)COCC1CCCO1 240690a_100015525214_100011223388 [0,0,0,1,0,0|3,0,0]=4 6927 B13R1.404 CCNC(=O)COCC1CCCO1 34a_100000210270_100000183381 [0,0,0,1,0,0|3,0,0]=4 6928 B13R1.404 CCNC(=O)COCC1CCCO1 527a_100015525214_100011223388 [0,0,0,1,0,0|3,0,0]=4 6929 B13R1.404 CCNC(=O)COCC1CCCO1 7a_100000210270_100000183381 [0,0,0,1,0,0|3,0,0]=4 6930 B13R1.404 CCNC(=O)COCC1CCNC1 34a_100000748654_100000183381 [0,0,0,1,0,0|3,0,0]=4 6931 B13R1.404 CCNC(=O)COCC1CCOC1 34a_100000740260_100000183381 [0,0,0,1,0,0|3,0,0]=4 6932 B13R1.404 CCNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183381 [0,0,0,1,0,0|3,0,0]=4 6933 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [0,0,0,1,0,0|2,0,0]=3 6934 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [0,0,0,1,0,0|2,0,0]=3 6935 B13R1.404 CCNC(=O)CSCC1CCCO1 11a_100015525214_100000217298 [0,0,0,1,0,0|3,0,0]=4 6936 B13R1.404 CCNC(=O)CSCC1CCCO1 240690a_100015525214_100000217298 [0,0,0,1,0,0|3,0,0]=4 6937 B13R1.404 CCNC(=O)CSCC1CCCO1 527a_100015525214_100000217298 [0,0,0,1,0,0|3,0,0]=4 6938 B13R1.404 CCNC(=O)CSCC1CCCO1 62a_100000183381_100000203698 [0,0,0,1,0,0|3,0,0]=4 6939 B13R1.404 CCNC(=O)CSCC1CCCO1 62a_100000203698_100000183381 [0,0,0,1,0,0|3,0,0]=4 6940 B13R1.404 CCNC(=O)CSCC1CCOC1 62a_100000183381_100000702531 [0,0,0,1,0,0|3,0,0]=4 6941 B13R1.404 CCNC(=O)CSCC1CCOC1 62a_100000702531_100000183381 [0,0,0,1,0,0|3,0,0]=4 6942 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [0,0,0,1,0,0|2,0,0]=3 6943 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [0,0,0,1,0,0|2,0,0]=3 6944 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [0,0,0,1,0,0|2,0,0]=3 6945 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [0,0,0,1,0,0|2,0,0]=3 6946 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [0,0,0,1,0,0|2,0,0]=3 6947 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [0,0,0,1,0,0|2,0,0]=3 6948 B13R1.404 CCNC(=O)NCCN1CCCC1 2708a_100015525214_100000212299 [0,0,0,1,0,0|3,0,0]=4 6949 B13R1.404 CCNC(=O)NCCN1CCCC1 273464a_100000212299_100015525214 [0,0,0,1,0,0|3,0,0]=4 6950 B13R1.404 CCNC(=O)NCCN1CCCC1 273464a_100015525214_100000212299 [0,0,0,1,0,0|3,0,0]=4 6951 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 2230a_100000188435_100016267167 [0,0,0,1,0,0|1,0,2]=4 6952 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 269982a_100000188435_100016267167 [0,0,0,1,0,0|1,0,2]=4 6953 B13R1.404 CCOC(=O)C=NNC1CCCC1 4a_100000737850_100000742314 [0,0,0,1,0,0|2,0,1]=4 6954 B13R1.404 CCOC(=O)CCCN1CC=CC1 269982a_100015195280_100009991533 [0,0,0,1,0,0|1,0,2]=4 6955 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [0,0,0,1,0,0|1,0,0]=2 6956 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [0,0,0,1,0,0|1,0,0]=2 6957 B13R1.404 CCOC(=O)CCCN1CCSC1 2230a_100011215254_100009991533 [0,0,0,1,0,0|2,0,0]=3 6958 B13R1.404 CCOC(=O)CCCN1CCSC1 269982a_100011215254_100009991533 [0,0,0,1,0,0|2,0,0]=3 6959 B13R1.404 CCOC(=O)CCNC1CC=CC1 2230a_100015188752_100011206558 [0,0,0,1,0,0|1,0,2]=4 6960 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [0,0,0,1,0,0|1,0,0]=2 6961 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [0,0,0,1,0,0|1,0,0]=2 6962 B13R1.404 CCOC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100011206558 [0,0,0,1,0,0|2,0,0]=3 6963 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100011206558 [0,0,0,1,0,0|2,0,0]=3 6964 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000765890 [0,0,0,1,0,0|2,0,0]=3 6965 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [0,0,0,1,0,0|1,0,0]=2 6966 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [0,0,0,1,0,0|1,0,0]=2 6967 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [0,0,0,1,0,0|2,0,0]=3 6968 B13R1.404 CCOC(=O)CCOC1CCSC1 7a_100011232664_100011206558 [0,0,0,1,0,0|2,0,0]=3 6969 B13R1.404 CCOC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000765890 [0,0,0,1,0,0|2,0,0]=3 6970 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [0,0,0,1,0,0|1,0,0]=2 6971 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [0,0,0,1,0,0|1,0,0]=2 6972 B13R1.404 CCOC(=O)CCSC1CCOC1 62a_100000765890_100000690089 [0,0,0,1,0,0|2,0,0]=3 6973 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,0,0,1,0,0|1,0,0]=2 6974 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,0,0,1,0,0|1,0,0]=2 6975 B13R1.404 CCOC(=O)CNCC1CCOC1 2230a_100000737293_100000188475 [0,0,0,1,0,0|2,0,0]=3 6976 B13R1.404 CCOC(=O)CNCC1CCOC1 34a_100000737293_100000188475 [0,0,0,1,0,0|2,0,0]=3 6977 B13R1.404 CCOC(=O)CNCC1OCCO1 2230a_100000036311_100000188475 [0,0,0,1,0,0|3,0,0]=4 6978 B13R1.404 CCOC(=O)CNCC1OCCO1 34a_100000036311_100000188475 [0,0,0,1,0,0|3,0,0]=4 6979 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,0,0,1,0,0|2,0,0]=3 6980 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,0,0,1,0,0|2,0,0]=3 6981 B13R1.404 CCOC(=O)COCC1CC=CC1 34a_100000688395_100000188475 [0,0,0,1,0,0|1,0,2]=4 6982 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,0,0,1,0,0|1,0,0]=2 6983 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,0,0,1,0,0|1,0,0]=2 6984 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,0,0,1,0,0|2,0,0]=3 6985 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,0,0,1,0,0|2,0,0]=3 6986 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [0,0,0,1,0,0|2,0,0]=3 6987 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [0,0,0,1,0,0|2,0,0]=3 6988 B13R1.404 CCOC(=O)COCC1COCO1 34a_100011216627_100000188475 [0,0,0,1,0,0|3,0,0]=4 6989 B13R1.404 CCOC(=O)COCC1OCCO1 34a_100000087154_100000188475 [0,0,0,1,0,0|3,0,0]=4 6990 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [0,0,0,1,0,0|2,0,0]=3 6991 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,0,0,1,0,0|1,0,0]=2 6992 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,0,0,1,0,0|1,0,0]=2 6993 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,0,0,1,0,0|2,0,0]=3 6994 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,0,0,1,0,0|2,0,0]=3 6995 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000188475_100000702531 [0,0,0,1,0,0|2,0,0]=3 6996 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000702531_100000188475 [0,0,0,1,0,0|2,0,0]=3 6997 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000188475_100000755774 [0,0,0,1,0,0|3,0,0]=4 6998 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000755774_100000188475 [0,0,0,1,0,0|3,0,0]=4 6999 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [0,0,0,1,0,0|2,0,0]=3 7000 B13R1.404 CCOC(=O)NCCN1CCSC1 269982a_100011215254_200011445536 [0,0,0,1,0,0|3,0,0]=4 7001 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,0,0,1,0,0|2,0,0]=3 7002 B13R1.404 CNNC(=O)CCCN1CCCC1 22a_100016993582_100000743284 [0,0,0,1,0,0|3,0,0]=4 7003 B13R1.404 CNNC(=O)NCCC1CCCC1 273464a_100000739158_100016993582 [0,0,0,1,0,0|3,0,0]=4 7004 B13R1.404 CNNC(=O)NCCC1CCCC1 512a_100000739158_100016993582 [0,0,0,1,0,0|3,0,0]=4 7005 B13R1.404 CNNC(=O)NCCC1CCCC1 512a_100016993582_100000739158 [0,0,0,1,0,0|3,0,0]=4 7006 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [0,0,0,1,0,0|2,0,0]=3 7007 B13R1.404 COCC(=O)CCCN1CCCC1 1458a_100000210968_100011445909 [0,0,0,1,0,0|3,0,0]=4 7008 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [0,0,0,1,0,0|3,0,0]=4 7009 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [0,0,0,1,0,0|3,0,0]=4 7010 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [0,0,0,1,0,0|3,0,0]=4 7011 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [0,0,0,1,0,0|3,0,0]=4 7012 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [0,0,0,1,0,0|2,0,0]=3 7013 B13R1.404 CSCC(=O)CCCN1CCCC1 1458a_100000184570_100011445909 [0,0,0,1,0,0|3,0,0]=4 7014 B13R1.404 CSCC(=O)NCCC1CCCC1 11a_100000739158_100000184570 [0,0,0,1,0,0|3,0,0]=4 7015 B13R1.404 CSCC(=O)NCCC1CCCC1 1626a_100000739158_100000184570 [0,0,0,1,0,0|3,0,0]=4 7016 B13R1.404 CSCC(=O)NCCC1CCCC1 240690a_100000739158_100000184570 [0,0,0,1,0,0|3,0,0]=4 7017 B13R1.404 CSCC(=O)NCCC1CCCC1 527a_100000739158_100000184570 [0,0,0,1,0,0|3,0,0]=4 7018 B13R1.404 N#CCC(=O)CCCC1CCCC1 1458a_100051588842_100011713738 [0,0,0,1,0,0|2,0,1]=4 7019 B13R1.404 O=C(C=CBr)CCCC1CCCC1 1458a_100016273825_100011713738 [0,0,0,1,0,0|2,0,1]=4 7020 B13R1.404 O=C(C=CCl)CCCC1CCCC1 1458a_200016279998_100011713738 [0,0,0,1,0,0|2,0,1]=4 7021 B13R1.404 O=C(C=CI)CCCC1CCCC1 1458a_100016256311_100011713738 [0,0,0,1,0,0|2,0,1]=4 7022 B13R1.404 O=C(CCF)CCCN1CCCC1 1458a_100000743284_100011217306 [0,0,0,1,0,0|3,0,0]=4 7023 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,0,0,1,0,0|2,0,0]=3 7024 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100000743284_100000211926 [0,0,0,1,0,0|3,0,0]=4 7025 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100011216618_100011445909 [0,0,0,1,0,0|3,0,0]=4 7026 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,0,0,1,0,0|3,0,0]=4 7027 B13R1.404 O=C(CNCC1CCCC1)NCO 2230a_100000737975_100000185155 [0,0,0,1,0,0|3,0,0]=4 7028 B13R1.404 O=C(CNCC1CCCC1)NCO 34a_100000737975_100000185155 [0,0,0,1,0,0|3,0,0]=4 7029 B13R1.404 O=C(COCC1CCCC1)NCO 34a_100000742336_100000185155 [0,0,0,1,0,0|3,0,0]=4 7030 B13R1.404 O=C(COCC1CCCC1)NCO 7a_100000742336_100000185155 [0,0,0,1,0,0|3,0,0]=4 7031 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000185155_100000740388 [0,0,0,1,0,0|3,0,0]=4 7032 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000740388_100000185155 [0,0,0,1,0,0|3,0,0]=4 7033 B13R1.443 C=COC(=O)CN1CCCC1CC 2230a_100000754278_100000036128 [0,0,0,1,0,0|1,0,2]=4 7034 B13R1.443 C=COC(=O)CN1CCCC1CC 269982a_100000754278_100000036128 [0,0,0,1,0,0|1,0,2]=4 7035 B13R1.443 C=COC(=O)CN1CCCC1CC 34a_100000754278_100000036128 [0,0,0,1,0,0|1,0,2]=4 7036 B13R1.443 CCC1CCCN1CC(=O)NCO 2230a_100000754278_100000185155 [0,0,0,1,0,0|3,0,0]=4 7037 B13R1.443 CCC1CCCN1CC(=O)NCO 269982a_100000754278_100000185155 [0,0,0,1,0,0|3,0,0]=4 7038 B13R1.443 CCC1CCCN1CC(=O)NCO 34a_100000754278_100000185155 [0,0,0,1,0,0|3,0,0]=4 7039 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [0,0,0,1,0,0|2,0,0]=3 7040 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [0,0,0,1,0,0|2,0,0]=3 7041 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747444 [0,0,0,1,0,0|3,0,0]=4 7042 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747444 [0,0,0,1,0,0|3,0,0]=4 7043 B13R1.443 CCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183381 [0,0,0,1,0,0|2,0,0]=3 7044 B13R1.443 CCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183381 [0,0,0,1,0,0|2,0,0]=3 7045 B13R1.443 CCNC(=O)CN1CCCC1CC 34a_100000754278_100000183381 [0,0,0,1,0,0|2,0,0]=3 7046 B13R1.443 CCNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183381 [0,0,0,1,0,0|3,0,0]=4 7047 B13R1.443 CCNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183381 [0,0,0,1,0,0|3,0,0]=4 7048 B13R1.443 CCNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183381 [0,0,0,1,0,0|3,0,0]=4 7049 B13R1.443 CCOC(=O)CN1CC=CC1CC 2230a_100000730860_100000188475 [0,0,0,1,0,0|1,0,2]=4 7050 B13R1.443 CCOC(=O)CN1CC=CC1CC 269982a_100000730860_100000188475 [0,0,0,1,0,0|1,0,2]=4 7051 B13R1.443 CCOC(=O)CN1CC=CC1CC 34a_100000730860_100000188475 [0,0,0,1,0,0|1,0,2]=4 7052 B13R1.443 CCOC(=O)CN1CCCC1C#N 2230a_100000701862_100000188475 [0,0,0,1,0,0|2,0,1]=4 7053 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [0,0,0,1,0,0|1,0,0]=2 7054 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [0,0,0,1,0,0|1,0,0]=2 7055 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [0,0,0,1,0,0|1,0,0]=2 7056 B13R1.443 CCOC(=O)CN1CCC[C@@H]1C#N 2230a_106645074975_100000188475 [0,0,0,1,0,0|2,0,1]=4 7057 B13R1.443 CCOC(=O)CN1CCC[C@@H]1C#N 269982a_106645074975_100000188475 [0,0,0,1,0,0|2,0,1]=4 7058 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000188475 [0,0,0,1,0,0|2,0,0]=3 7059 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000188475 [0,0,0,1,0,0|2,0,0]=3 7060 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000188475 [0,0,0,1,0,0|2,0,0]=3 7061 B13R1.444 C=COC(=O)COC1CCCC1C 34a_100011216460_100000036128 [0,0,0,1,0,0|1,0,2]=4 7062 B13R1.444 CC#CC(=O)CCC1CCCN1C 1458a_100000763181_100000005710 [0,0,0,1,0,0|2,0,1]=4 7063 B13R1.444 CC1CCCC1OCC(=O)NCO 34a_100011216460_100000185155 [0,0,0,1,0,0|3,0,0]=4 7064 B13R1.444 CC1CCCC1OCC(=O)NCO 7a_100011216460_100000185155 [0,0,0,1,0,0|3,0,0]=4 7065 B13R1.444 CC=CC(=O)CCC1CCCN1C 1458a_100000210699_100000005710 [0,0,0,1,0,0|2,0,1]=4 7066 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [0,0,0,1,0,0|2,0,0]=3 7067 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [0,0,0,1,0,0|2,0,0]=3 7068 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747444_200016002552 [0,0,0,1,0,0|3,0,0]=4 7069 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747444 [0,0,0,1,0,0|3,0,0]=4 7070 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000211992 [0,0,0,1,0,0|3,0,0]=4 7071 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000211992 [0,0,0,1,0,0|3,0,0]=4 7072 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 2230a_100020605311_100000034017 [0,0,0,1,0,0|3,0,0]=4 7073 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000034017 [0,0,0,1,0,0|3,0,0]=4 7074 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 2230a_100015189458_100000034017 [0,0,0,1,0,0|3,0,0]=4 7075 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000034017 [0,0,0,1,0,0|3,0,0]=4 7076 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 34a_100015189458_100000034017 [0,0,0,1,0,0|3,0,0]=4 7077 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737597 [0,0,0,1,0,0|2,0,0]=3 7078 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737597 [0,0,0,1,0,0|2,0,0]=3 7079 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737597 [0,0,0,1,0,0|2,0,0]=3 7080 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737597 [0,0,0,1,0,0|2,0,0]=3 7081 B13R1.444 CCNC(=O)CCN1CCSC1C 2230a_200011216479_100000737597 [0,0,0,1,0,0|3,0,0]=4 7082 B13R1.444 CCNC(=O)CCN1CCSC1C 269982a_200011216479_100000737597 [0,0,0,1,0,0|3,0,0]=4 7083 B13R1.444 CCNC(=O)CNC1CCOC1C 270004a_100016988866_100000691750 [0,0,0,1,0,0|3,0,0]=4 7084 B13R1.444 CCNC(=O)COC1CCCC1C 34a_100011216460_100000183381 [0,0,0,1,0,0|2,0,0]=3 7085 B13R1.444 CCNC(=O)COC1CCCC1C 7a_100011216460_100000183381 [0,0,0,1,0,0|2,0,0]=3 7086 B13R1.444 CCNC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000183381 [0,0,0,1,0,0|3,0,0]=4 7087 B13R1.444 CCNC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000183381 [0,0,0,1,0,0|3,0,0]=4 7088 B13R1.444 CCNC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000183381 [0,0,0,1,0,0|3,0,0]=4 7089 B13R1.444 CCNC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000183381_200016002552 [0,0,0,1,0,0|3,0,0]=4 7090 B13R1.444 CCNC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000183381 [0,0,0,1,0,0|3,0,0]=4 7091 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_100015525214 [0,0,0,1,0,0|3,0,0]=4 7092 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 2708a_100015525214_100009821018 [0,0,0,1,0,0|3,0,0]=4 7093 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100015525214 [0,0,0,1,0,0|3,0,0]=4 7094 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 273464a_100015525214_100009821018 [0,0,0,1,0,0|3,0,0]=4 7095 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100015525214 [0,0,0,1,0,0|3,0,0]=4 7096 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 512a_100015525214_100009821018 [0,0,0,1,0,0|3,0,0]=4 7097 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [0,0,0,1,0,0|1,0,0]=2 7098 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [0,0,0,1,0,0|1,0,0]=2 7099 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [0,0,0,1,0,0|1,0,0]=2 7100 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [0,0,0,1,0,0|1,0,0]=2 7101 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [0,0,0,1,0,0|1,0,0]=2 7102 B13R1.444 CCOC(=O)CCN1CCSC1C 2230a_200011216479_100011206558 [0,0,0,1,0,0|2,0,0]=3 7103 B13R1.444 CCOC(=O)CCN1CCSC1C 269982a_200011216479_100011206558 [0,0,0,1,0,0|2,0,0]=3 7104 B13R1.444 CCOC(=O)CCN1CCSC1C 34a_200011216479_100000765890 [0,0,0,1,0,0|2,0,0]=3 7105 B13R1.444 CCOC(=O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000188475 [0,0,0,1,0,0|3,0,0]=4 7106 B13R1.444 CCOC(=O)COC1CCCC1=O 34a_200000719330_100000188475 [0,0,0,1,0,0|2,0,1]=4 7107 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [0,0,0,1,0,0|1,0,0]=2 7108 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [0,0,0,1,0,0|1,0,0]=2 7109 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000188475 [0,0,0,1,0,0|2,0,0]=3 7110 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000188475 [0,0,0,1,0,0|2,0,0]=3 7111 B13R1.444 CCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000188475 [0,0,0,1,0,0|2,0,0]=3 7112 B13R1.444 CCOC(=O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000188475 [0,0,0,1,0,0|3,0,0]=4 7113 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000188475_100000211823 [0,0,0,1,0,0|2,0,1]=4 7114 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000211823_100000188475 [0,0,0,1,0,0|2,0,1]=4 7115 B13R1.444 CCOC(=O)CSC1COCC1O 62a_100000188475_200000725654 [0,0,0,1,0,0|3,0,0]=4 7116 B13R1.444 CCOC(=O)CSC1COCC1O 62a_200000725654_100000188475 [0,0,0,1,0,0|3,0,0]=4 7117 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000188475_200016002552 [0,0,0,1,0,0|2,0,0]=3 7118 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000188475 [0,0,0,1,0,0|2,0,0]=3 7119 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [0,0,0,1,0,0|3,0,0]=4 7120 B13R1.444 COCC(=O)CCC1CCCN1C 1458a_100000210968_100000005710 [0,0,0,1,0,0|3,0,0]=4 7121 B13R1.444 CSCC(=O)CCC1CCCN1C 1458a_100000184570_100000005710 [0,0,0,1,0,0|3,0,0]=4 7122 B13R1.447 CCCC(=O)OCOCC1CC1C 34a_100000744939_100000034017 [0,0,0,1,0,0|3,0,0]=4 7123 B13R1.447 CCNC(=O)CCOCC1CC1C 7a_100000744939_100000737597 [0,0,0,1,0,0|2,0,0]=3 7124 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009991533 [0,0,0,1,0,0|2,0,0]=3 7125 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009991533 [0,0,0,1,0,0|2,0,0]=3 7126 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100009991533 [0,0,0,1,0,0|2,0,0]=3 7127 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [0,0,0,1,0,0|1,0,0]=2 7128 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [0,0,0,1,0,0|1,0,0]=2 7129 B13R1.448 CCCC(=O)OCNCC1CCC1 2230a_100000738700_100000034017 [0,0,0,1,0,0|3,0,0]=4 7130 B13R1.448 CCCC(=O)OCNCC1CCC1 34a_100000738700_100000034017 [0,0,0,1,0,0|3,0,0]=4 7131 B13R1.448 CCCC(=O)OCOCC1CCC1 34a_100000760304_100000034017 [0,0,0,1,0,0|3,0,0]=4 7132 B13R1.448 CCCC(=O)OCSCC1CCC1 62a_100000763275_100000034017 [0,0,0,1,0,0|3,0,0]=4 7133 B13R1.448 CCNC(=O)CCNCC1CCC1 2230a_100000738700_100000737597 [0,0,0,1,0,0|2,0,0]=3 7134 B13R1.448 CCNC(=O)CCNCC1CCC1 269862a_100025743525_100000753134 [0,0,0,1,0,0|2,0,0]=3 7135 B13R1.448 CCNC(=O)CCNCC1CCC1 34a_100025743525_100000763275 [0,0,0,1,0,0|2,0,0]=3 7136 B13R1.448 CCNC(=O)CCNCC1CCO1 34a_100025743525_100000103362 [0,0,0,1,0,0|3,0,0]=4 7137 B13R1.448 CCNC(=O)CCNCC1COC1 2230a_100015281925_100000737597 [0,0,0,1,0,0|3,0,0]=4 7138 B13R1.448 CCNC(=O)CCNCC1COC1 34a_100025743525_100010264016 [0,0,0,1,0,0|3,0,0]=4 7139 B13R1.448 CCNC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000737597 [0,0,0,1,0,0|3,0,0]=4 7140 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000737597_100000763275 [0,0,0,1,0,0|2,0,0]=3 7141 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000763275_100000737597 [0,0,0,1,0,0|2,0,0]=3 7142 B13R1.448 CCNC(=O)CCSCC1CCO1 62a_100000103362_100000737597 [0,0,0,1,0,0|3,0,0]=4 7143 B13R1.448 CCNC(=O)CCSCC1CCO1 62a_100000737597_100000103362 [0,0,0,1,0,0|3,0,0]=4 7144 B13R1.448 CCNC(=O)CCSCC1COC1 62a_100000737597_100010264016 [0,0,0,1,0,0|3,0,0]=4 7145 B13R1.448 CCNC(=O)CCSCC1COC1 62a_100010264016_100000737597 [0,0,0,1,0,0|3,0,0]=4 7146 B13R1.448 CCNC(=O)COCCC1COC1 34a_100009855314_100000183381 [0,0,0,1,0,0|3,0,0]=4 7147 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 2230a_100000749019_100016267167 [0,0,0,1,0,0|1,0,2]=4 7148 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 34a_100000749019_100016267167 [0,0,0,1,0,0|1,0,2]=4 7149 B13R1.448 CCOC(=O)/C=C/COC1CCC1 34a_100000748187_100016267167 [0,0,0,1,0,0|1,0,2]=4 7150 B13R1.448 CCOC(=O)/C=C/CSC1CCC1 62a_100016267167_100000749161 [0,0,0,1,0,0|1,0,2]=4 7151 B13R1.448 CCOC(=O)C=NNCC1CCC1 4a_200020586977_100000742314 [0,0,0,1,0,0|2,0,1]=4 7152 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [0,0,0,1,0,0|1,0,0]=2 7153 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [0,0,0,1,0,0|1,0,0]=2 7154 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [0,0,0,1,0,0|1,0,0]=2 7155 B13R1.448 CCOC(=O)CCCNC1COC1 2230a_100016991112_100009991533 [0,0,0,1,0,0|2,0,0]=3 7156 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [0,0,0,1,0,0|1,0,0]=2 7157 B13R1.448 CCOC(=O)CCCOC1COC1 7a_100012001163_100009818527 [0,0,0,1,0,0|2,0,0]=3 7158 B13R1.448 CCOC(=O)CCCOC1CSC1 7a_100000072292_100011215271 [0,0,0,1,0,0|2,0,0]=3 7159 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [0,0,0,1,0,0|1,0,0]=2 7160 B13R1.448 CCOC(=O)CCCSC1COC1 62a_100009991533_100009818527 [0,0,0,1,0,0|2,0,0]=3 7161 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [0,0,0,1,0,0|1,0,0]=2 7162 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [0,0,0,1,0,0|1,0,0]=2 7163 B13R1.448 CCOC(=O)CCNCC1COC1 2230a_100015281925_100011206558 [0,0,0,1,0,0|2,0,0]=3 7164 B13R1.448 CCOC(=O)CCNCC1COC1 34a_100015281925_100000765890 [0,0,0,1,0,0|2,0,0]=3 7165 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100011206558 [0,0,0,1,0,0|2,0,0]=3 7166 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000765890 [0,0,0,1,0,0|2,0,0]=3 7167 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [0,0,0,1,0,0|1,0,0]=2 7168 B13R1.448 CCOC(=O)CCOCC1CCO1 34a_100000039022_100000765890 [0,0,0,1,0,0|2,0,0]=3 7169 B13R1.448 CCOC(=O)CCOCC1CNC1 34a_100016987283_100000765890 [0,0,0,1,0,0|2,0,0]=3 7170 B13R1.448 CCOC(=O)CCOCC1COC1 34a_100000060846_100000765890 [0,0,0,1,0,0|2,0,0]=3 7171 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [0,0,0,1,0,0|1,0,0]=2 7172 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [0,0,0,1,0,0|1,0,0]=2 7173 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000103362_100000765890 [0,0,0,1,0,0|2,0,0]=3 7174 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000765890_100000103362 [0,0,0,1,0,0|2,0,0]=3 7175 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100000765890_100010264016 [0,0,0,1,0,0|2,0,0]=3 7176 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100010264016_100000765890 [0,0,0,1,0,0|2,0,0]=3 7177 B13R1.448 CCOC(=O)COCCC1COC1 34a_100009855314_100000188475 [0,0,0,1,0,0|2,0,0]=3 7178 B13R1.448 CCOC(=O)COCCN1CCC1 269982a_100000754969_100000088970 [0,0,0,1,0,0|2,0,0]=3 7179 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [0,0,0,1,0,0|2,0,0]=3 7180 B13R1.448 CCOC(=O)NCCOC1COC1 34a_100000158857_100009818527 [0,0,0,1,0,0|3,0,0]=4 7181 B13R1.448 CCOC(=O)NCCOC1CSC1 7a_100000072292_200011445536 [0,0,0,1,0,0|3,0,0]=4 7182 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [0,0,0,1,0,0|2,0,0]=3 7183 B13R1.448 CCOC(=O)OCSCC1CCO1 62a_100000103362_100000075025 [0,0,0,1,0,0|3,0,0]=4 7184 B13R1.448 CCOC(=O)OCSCC1COC1 62a_100010264016_100000075025 [0,0,0,1,0,0|3,0,0]=4 7185 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000733510_100000747444 [0,0,0,1,0,0|3,0,0]=4 7186 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000747444_100000733510 [0,0,0,1,0,0|3,0,0]=4 7187 B13R1.453 CCCC(=O)OCNCCC1CC1 34a_100000764129_100000034017 [0,0,0,1,0,0|3,0,0]=4 7188 B13R1.453 CCCC(=O)OCOCCC1CC1 34a_100000754188_100000034017 [0,0,0,1,0,0|3,0,0]=4 7189 B13R1.453 CCCC(=O)OCSCCC1CC1 62a_100000764125_100000034017 [0,0,0,1,0,0|3,0,0]=4 7190 B13R1.453 CCNC(=O)CCNCCC1CC1 34a_100025743525_100000694398 [0,0,0,1,0,0|2,0,0]=3 7191 B13R1.453 CCNC(=O)CCNCCC1CO1 34a_100025743525_100000732470 [0,0,0,1,0,0|3,0,0]=4 7192 B13R1.453 CCNC(=O)CCOCCC1CC1 7a_100000754188_100000737597 [0,0,0,1,0,0|2,0,0]=3 7193 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000737597_100000764125 [0,0,0,1,0,0|2,0,0]=3 7194 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000764125_100000737597 [0,0,0,1,0,0|2,0,0]=3 7195 B13R1.453 CCNC(=O)CCSCCC1CO1 62a_100000732470_100000737597 [0,0,0,1,0,0|3,0,0]=4 7196 B13R1.453 CCNC(=O)CCSCCC1CO1 62a_100000737597_100000732470 [0,0,0,1,0,0|3,0,0]=4 7197 B13R1.453 CCNC(=O)CNCCCC1CO1 2230a_100016988866_100000733510 [0,0,0,1,0,0|3,0,0]=4 7198 B13R1.453 CCNC(=O)COCCNC1CC1 34a_100000738766_100000183381 [0,0,0,1,0,0|3,0,0]=4 7199 B13R1.453 CCNC(=O)CSCCCC1CO1 62a_100000183381_100000733510 [0,0,0,1,0,0|3,0,0]=4 7200 B13R1.453 CCNC(=O)CSCCCC1CO1 62a_100000733510_100000183381 [0,0,0,1,0,0|3,0,0]=4 7201 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 2230a_100000735609_100016267167 [0,0,0,1,0,0|1,0,2]=4 7202 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 34a_100000735609_100016267167 [0,0,0,1,0,0|1,0,2]=4 7203 B13R1.453 CCOC(=O)/C=C/COCC1CC1 34a_100000211283_100016267167 [0,0,0,1,0,0|1,0,2]=4 7204 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100000756562_100016267167 [0,0,0,1,0,0|1,0,2]=4 7205 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100016267167_100000742324 [0,0,0,1,0,0|1,0,2]=4 7206 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [0,0,0,1,0,0|1,0,0]=2 7207 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [0,0,0,1,0,0|1,0,0]=2 7208 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [0,0,0,1,0,0|1,0,0]=2 7209 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [0,0,0,1,0,0|1,0,0]=2 7210 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [0,0,0,1,0,0|1,0,0]=2 7211 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [0,0,0,1,0,0|1,0,0]=2 7212 B13R1.453 CCOC(=O)CCCOCC1CO1 7a_100012001163_102125554688 [0,0,0,1,0,0|2,0,0]=3 7213 B13R1.453 CCOC(=O)CCCOCC1CS1 7a_100012001163_100000031435 [0,0,0,1,0,0|2,0,0]=3 7214 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100009991533 [0,0,0,1,0,0|2,0,0]=3 7215 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 7a_100012001163_100000745022 [0,0,0,1,0,0|2,0,0]=3 7216 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [0,0,0,1,0,0|1,0,0]=2 7217 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [0,0,0,1,0,0|1,0,0]=2 7218 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_100009991533_102125554688 [0,0,0,1,0,0|2,0,0]=3 7219 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_102125554688_100009991533 [0,0,0,1,0,0|2,0,0]=3 7220 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100000031435_100009991533 [0,0,0,1,0,0|2,0,0]=3 7221 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100009991533_100000031435 [0,0,0,1,0,0|2,0,0]=3 7222 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100009991533 [0,0,0,1,0,0|2,0,0]=3 7223 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100009991533_100000745022 [0,0,0,1,0,0|2,0,0]=3 7224 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [0,0,0,1,0,0|1,0,0]=2 7225 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [0,0,0,1,0,0|1,0,0]=2 7226 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [0,0,0,1,0,0|1,0,0]=2 7227 B13R1.453 CCOC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000765890 [0,0,0,1,0,0|2,0,0]=3 7228 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [0,0,0,1,0,0|1,0,0]=2 7229 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [0,0,0,1,0,0|1,0,0]=2 7230 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000732470_100000765890 [0,0,0,1,0,0|2,0,0]=3 7231 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000765890_100000732470 [0,0,0,1,0,0|2,0,0]=3 7232 B13R1.453 CCOC(=O)COCC#CC1CC1 34a_100000083941_100000188475 [0,0,0,1,0,0|1,0,2]=4 7233 B13R1.453 CCOC(=O)COCC#CC1CC1 7a_100000083941_100000188475 [0,0,0,1,0,0|1,0,2]=4 7234 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000212008_100000088970 [0,0,0,1,0,0|2,0,0]=3 7235 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000738766_100000188475 [0,0,0,1,0,0|2,0,0]=3 7236 B13R1.453 CCOC(=O)COCCSC1CC1 62a_100000088970_100000211595 [0,0,0,1,0,0|2,0,0]=3 7237 B13R1.453 CCOC(=O)CSCC#CC1CC1 62a_100000188475_100009895102 [0,0,0,1,0,0|1,0,2]=4 7238 B13R1.453 CCOC(=O)CSCC#CC1CC1 62a_100009895102_100000188475 [0,0,0,1,0,0|1,0,2]=4 7239 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000188475_100000733510 [0,0,0,1,0,0|2,0,0]=3 7240 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000733510_100000188475 [0,0,0,1,0,0|2,0,0]=3 7241 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [0,0,0,1,0,0|2,0,0]=3 7242 B13R1.453 CCOC(=O)NCCOCC1CO1 34a_100000158857_102125554688 [0,0,0,1,0,0|3,0,0]=4 7243 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [0,0,0,1,0,0|2,0,0]=3 7244 B13R1.453 CCOC(=O)NCCSCC1CO1 62a_102125554688_200011445536 [0,0,0,1,0,0|3,0,0]=4 7245 B13R1.453 CCOC(=O)NCCSCC1CS1 62a_100000031435_200011445536 [0,0,0,1,0,0|3,0,0]=4 7246 B13R1.453 CCOC(=O)NCCSC[C@@H]1CO1 62a_100000745022_200011445536 [0,0,0,1,0,0|3,0,0]=4 7247 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [0,0,0,1,0,0|2,0,0]=3 7248 B13R1.453 CCOC(=O)OCSCCC1CO1 62a_100000732470_100000075025 [0,0,0,1,0,0|3,0,0]=4 7249 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 269982a_100000755817_100016267167 [0,0,0,1,0,0|1,0,2]=4 7250 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 34a_100000755817_100016267167 [0,0,0,1,0,0|1,0,2]=4 7251 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [0,0,0,1,0,0|1,0,0]=2 7252 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [0,0,0,1,0,0|1,0,0]=2 7253 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100000765890_100009892977 [0,0,0,1,0,0|2,0,1]=4 7254 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100009892977_100000765890 [0,0,0,1,0,0|2,0,1]=4 7255 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [0,0,0,1,0,0|2,0,0]=3 7256 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,0,0,1,0,0|2,0,1]=4 7257 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,0,0,1,0,0|2,0,0]=3 7258 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [0,0,0,1,0,0|2,0,0]=3 7259 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [0,0,0,1,0,0|2,0,0]=3 7260 B13R1.463 CN1CCCCCC1C(=O)CCF 1458a_100015187800_100011217306 [0,0,0,1,0,0|3,0,0]=4 7261 B13R1.463 CN1CCCCCC1C(=O)CCO 1458a_100015187800_100000211926 [0,0,0,1,0,0|3,0,0]=4 7262 B13R1.463 CNNC(=O)C1CCCCCN1C 22a_100016993582_100015187800 [0,0,0,1,0,0|3,0,0]=4 7263 B13R1.464 CC=CC(=O)N1CCCCC1CC 11a_100000210034_100000210699 [0,0,0,1,0,0|2,0,1]=4 7264 B13R1.464 CC=CC(=O)N1CCCCC1CC 1626a_100000210034_100000210699 [0,0,0,1,0,0|2,0,1]=4 7265 B13R1.464 CC=CC(=O)N1CCCCC1CC 240690a_100000210034_100000210699 [0,0,0,1,0,0|2,0,1]=4 7266 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,0,0,1,0,0|3,0,0]=4 7267 B13R1.464 CCC1CCCCN1C(=O)CNC 2230a_106832991635_100000183412 [0,0,0,1,0,0|3,0,0]=4 7268 B13R1.464 CCC1CCCCN1C(=O)CNC 34a_100102657272_100000183412 [0,0,0,1,0,0|3,0,0]=4 7269 B13R1.464 CCC1CCCCN1C(=O)CNC 7a_106832991635_100000183412 [0,0,0,1,0,0|3,0,0]=4 7270 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [0,0,0,1,0,0|3,0,0]=4 7271 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [0,0,0,1,0,0|3,0,0]=4 7272 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [0,0,0,1,0,0|3,0,0]=4 7273 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [0,0,0,1,0,0|3,0,0]=4 7274 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [0,0,0,1,0,0|3,0,0]=4 7275 B13R1.464 CCC1CCCCN1C(=O)CSC 11a_100000210034_100000184570 [0,0,0,1,0,0|3,0,0]=4 7276 B13R1.464 CCC1CCCCN1C(=O)CSC 1626a_100000210034_100000184570 [0,0,0,1,0,0|3,0,0]=4 7277 B13R1.464 CCC1CCCCN1C(=O)CSC 240690a_100000210034_100000184570 [0,0,0,1,0,0|3,0,0]=4 7278 B13R1.464 CCC1CCCCN1C(=O)CSC 527a_100000210034_100000184570 [0,0,0,1,0,0|3,0,0]=4 7279 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_100000183412_200000210301 [0,0,0,1,0,0|3,0,0]=4 7280 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_200000210301_100000183412 [0,0,0,1,0,0|3,0,0]=4 7281 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_100000183412_200025704644 [0,0,0,1,0,0|3,0,0]=4 7282 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000183412 [0,0,0,1,0,0|3,0,0]=4 7283 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [0,0,0,1,0,0|2,0,0]=3 7284 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [0,0,0,1,0,0|2,0,0]=3 7285 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [0,0,0,1,0,0|2,0,0]=3 7286 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [0,0,0,1,0,0|2,0,0]=3 7287 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [0,0,0,1,0,0|2,0,0]=3 7288 B13R1.464 CCCC(=O)N1CCCCC1CO 240690a_100000210821_100000211992 [0,0,0,1,0,0|3,0,0]=4 7289 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000211992 [0,0,0,1,0,0|3,0,0]=4 7290 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000211992 [0,0,0,1,0,0|3,0,0]=4 7291 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000211992 [0,0,0,1,0,0|3,0,0]=4 7292 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000211992 [0,0,0,1,0,0|3,0,0]=4 7293 B13R1.464 CCCN(C)C1CCCCC1CC 270004a_100000747261_100000757040 [0,0,0,1,0,0|3,0,0]=4 7294 B13R1.464 CCN1CCCCC1C(=O)CCF 1458a_100000743832_100011217306 [0,0,0,1,0,0|3,0,0]=4 7295 B13R1.464 CCN1CCCCC1C(=O)CCO 1458a_100000743832_100000211926 [0,0,0,1,0,0|3,0,0]=4 7296 B13R1.464 CCN1CCCCC1C(=O)NNC 22a_100016993582_100000743832 [0,0,0,1,0,0|3,0,0]=4 7297 B13R1.464 CCNC(=O)C1CCCCN1CC 11a_100015525214_100000743832 [0,0,0,1,0,0|2,0,0]=3 7298 B13R1.464 CCNC(=O)C1CCCCN1CC 240690a_100015525214_100000743832 [0,0,0,1,0,0|2,0,0]=3 7299 B13R1.464 CCNC(=O)C1CCCCN1CC 527a_100015525214_100000743832 [0,0,0,1,0,0|2,0,0]=3 7300 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [0,0,0,1,0,0|2,0,0]=3 7301 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [0,0,0,1,0,0|2,0,0]=3 7302 B13R1.464 CCNC(=O)N1CCCCC1CO 2708a_100015525214_100000210821 [0,0,0,1,0,0|3,0,0]=4 7303 B13R1.464 CCNC(=O)N1CCCCC1CO 273464a_100015525214_100000210821 [0,0,0,1,0,0|3,0,0]=4 7304 B13R1.464 CCNC(=O)N1CCOC[C@@H]1CC 2708a_100015525214_100016988097 [0,0,0,1,0,0|3,0,0]=4 7305 B13R1.464 CCNC(=O)N1CCOC[C@@H]1CC 273464a_100015525214_100016988097 [0,0,0,1,0,0|3,0,0]=4 7306 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [0,0,0,1,0,0|1,0,0]=2 7307 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [0,0,0,1,0,0|1,0,0]=2 7308 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [0,0,0,1,0,0|1,0,0]=2 7309 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [0,0,0,1,0,0|1,0,0]=2 7310 B13R1.464 CCOC(=O)C1CCCCN1CF 269982a_100016990872_100015361967 [0,0,0,1,0,0|2,0,0]=3 7311 B13R1.464 CCOC(=O)C1CSCCN1CC 2230a_100000735462_100000210202 [0,0,0,1,0,0|2,0,0]=3 7312 B13R1.464 CCOC(=O)C1CSCCN1CC 269982a_100000735462_100000204670 [0,0,0,1,0,0|2,0,0]=3 7313 B13R1.464 CCOC(=O)C1CSCCN1CF 269982a_100000735462_100015361967 [0,0,0,1,0,0|3,0,0]=4 7314 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 2230a_100015229691_100000210202 [0,0,0,1,0,0|2,0,0]=3 7315 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 269982a_100015229691_100000204670 [0,0,0,1,0,0|2,0,0]=3 7316 B13R1.464 CCOC(=O)[C@@H]1COCCN1CF 269982a_100015229691_100015361967 [0,0,0,1,0,0|3,0,0]=4 7317 B13R1.470 C=COC(=O)CN1CCCCC1C 2230a_100000211376_100000036128 [0,0,0,1,0,0|1,0,2]=4 7318 B13R1.470 C=COC(=O)CN1CCCCC1C 269982a_100000211376_100000036128 [0,0,0,1,0,0|1,0,2]=4 7319 B13R1.470 C=COC(=O)CN1CCCCC1C 34a_100000211376_100000036128 [0,0,0,1,0,0|1,0,2]=4 7320 B13R1.470 CC#CC(=O)CC1CCCCN1C 1458a_100000763181_100015185383 [0,0,0,1,0,0|2,0,1]=4 7321 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,0,0,1,0,0|3,0,0]=4 7322 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_100000182742_200025704644 [0,0,0,1,0,0|3,0,0]=4 7323 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_200025704644_100000182742 [0,0,0,1,0,0|3,0,0]=4 7324 B13R1.470 CC1CCCCN1CC(=O)NCO 2230a_100000211376_100000185155 [0,0,0,1,0,0|3,0,0]=4 7325 B13R1.470 CC1CCCCN1CC(=O)NCO 269982a_100000211376_100000185155 [0,0,0,1,0,0|3,0,0]=4 7326 B13R1.470 CC1CCCCN1CC(=O)NCO 34a_100000211376_100000185155 [0,0,0,1,0,0|3,0,0]=4 7327 B13R1.470 CC=CC(=O)CC1CCCCN1C 1458a_100000210699_100015185383 [0,0,0,1,0,0|2,0,1]=4 7328 B13R1.470 CC=CC(=O)NC1CCCCC1C 11a_100000211402_100000210699 [0,0,0,1,0,0|2,0,1]=4 7329 B13R1.470 CC=CC(=O)NC1CCCCC1C 1626a_100000211402_100000210699 [0,0,0,1,0,0|2,0,1]=4 7330 B13R1.470 CC=CC(=O)NC1CCCCC1C 240690a_100000211402_100000210699 [0,0,0,1,0,0|2,0,1]=4 7331 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [0,0,0,1,0,0|2,0,0]=3 7332 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [0,0,0,1,0,0|2,0,0]=3 7333 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [0,0,0,1,0,0|2,0,0]=3 7334 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747444 [0,0,0,1,0,0|3,0,0]=4 7335 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747444 [0,0,0,1,0,0|3,0,0]=4 7336 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [0,0,0,1,0,0|2,0,0]=3 7337 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [0,0,0,1,0,0|2,0,0]=3 7338 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [0,0,0,1,0,0|2,0,0]=3 7339 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [0,0,0,1,0,0|2,0,0]=3 7340 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211992 [0,0,0,1,0,0|3,0,0]=4 7341 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211992 [0,0,0,1,0,0|3,0,0]=4 7342 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000211992 [0,0,0,1,0,0|3,0,0]=4 7343 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000211992 [0,0,0,1,0,0|3,0,0]=4 7344 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000211992 [0,0,0,1,0,0|3,0,0]=4 7345 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000211992 [0,0,0,1,0,0|3,0,0]=4 7346 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [0,0,0,1,0,0|2,0,0]=3 7347 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [0,0,0,1,0,0|2,0,0]=3 7348 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [0,0,0,1,0,0|2,0,0]=3 7349 B13R1.470 CCNC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000183381 [0,0,0,1,0,0|3,0,0]=4 7350 B13R1.470 CCNC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000183381 [0,0,0,1,0,0|3,0,0]=4 7351 B13R1.470 CCNC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000183381 [0,0,0,1,0,0|3,0,0]=4 7352 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [0,0,0,1,0,0|2,0,0]=3 7353 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [0,0,0,1,0,0|2,0,0]=3 7354 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [0,0,0,1,0,0|2,0,0]=3 7355 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [0,0,0,1,0,0|2,0,0]=3 7356 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [0,0,0,1,0,0|2,0,0]=3 7357 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [0,0,0,1,0,0|2,0,0]=3 7358 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100015525214_100015191688 [0,0,0,1,0,0|3,0,0]=4 7359 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100015525214_100015191688 [0,0,0,1,0,0|3,0,0]=4 7360 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_100015525214 [0,0,0,1,0,0|3,0,0]=4 7361 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015525214_100015195156 [0,0,0,1,0,0|3,0,0]=4 7362 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100015525214 [0,0,0,1,0,0|3,0,0]=4 7363 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015525214_100015195156 [0,0,0,1,0,0|3,0,0]=4 7364 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100015525214 [0,0,0,1,0,0|3,0,0]=4 7365 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015525214_100015195156 [0,0,0,1,0,0|3,0,0]=4 7366 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [0,0,0,1,0,0|1,0,0]=2 7367 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [0,0,0,1,0,0|1,0,0]=2 7368 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [0,0,0,1,0,0|1,0,0]=2 7369 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [0,0,0,1,0,0|1,0,0]=2 7370 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,0,0,1,0,0|1,0,0]=2 7371 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,0,0,1,0,0|1,0,0]=2 7372 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,0,0,1,0,0|1,0,0]=2 7373 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [0,0,0,1,0,0|2,0,0]=3 7374 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [0,0,0,1,0,0|2,0,0]=3 7375 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [0,0,0,1,0,0|2,0,0]=3 7376 B13R1.470 CN1CCCCC1CC(=O)CCO 1458a_100011216618_100015185383 [0,0,0,1,0,0|3,0,0]=4 7377 B13R1.470 CNCC(=O)NC1CCCCC1C 2230a_106832991635_100000182742 [0,0,0,1,0,0|3,0,0]=4 7378 B13R1.470 CNCC(=O)NC1CCCCC1C 34a_100102657272_100000182742 [0,0,0,1,0,0|3,0,0]=4 7379 B13R1.470 CNCC(=O)NC1CCCCC1C 7a_106832991635_100000182742 [0,0,0,1,0,0|3,0,0]=4 7380 B13R1.470 CNNC(=O)NC1CCCCC1C 273464a_100000211402_100016993582 [0,0,0,1,0,0|3,0,0]=4 7381 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100000211402_100016993582 [0,0,0,1,0,0|3,0,0]=4 7382 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100016993582_100000211402 [0,0,0,1,0,0|3,0,0]=4 7383 B13R1.470 COCC(=O)CC1CCCCN1C 1458a_100000210968_100015185383 [0,0,0,1,0,0|3,0,0]=4 7384 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [0,0,0,1,0,0|3,0,0]=4 7385 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [0,0,0,1,0,0|3,0,0]=4 7386 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [0,0,0,1,0,0|3,0,0]=4 7387 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [0,0,0,1,0,0|3,0,0]=4 7388 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [0,0,0,1,0,0|3,0,0]=4 7389 B13R1.470 CSCC(=O)CC1CCCCN1C 1458a_100000184570_100015185383 [0,0,0,1,0,0|3,0,0]=4 7390 B13R1.470 CSCC(=O)NC1CCCCC1C 11a_100000211402_100000184570 [0,0,0,1,0,0|3,0,0]=4 7391 B13R1.470 CSCC(=O)NC1CCCCC1C 1626a_100000211402_100000184570 [0,0,0,1,0,0|3,0,0]=4 7392 B13R1.470 CSCC(=O)NC1CCCCC1C 240690a_100000211402_100000184570 [0,0,0,1,0,0|3,0,0]=4 7393 B13R1.470 CSCC(=O)NC1CCCCC1C 527a_100000211402_100000184570 [0,0,0,1,0,0|3,0,0]=4 7394 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_100000182742_200000210301 [0,0,0,1,0,0|3,0,0]=4 7395 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_200000210301_100000182742 [0,0,0,1,0,0|3,0,0]=4 7396 B13R1.567 CCCCN1CCCC(C1)OCC 2230a_100000745229_100000210211 [0,0,0,1,0,0|2,0,1]=4 7397 B13R1.567 CCCCN1CCCC(C1)OCC 269982a_100000745229_100000210211 [0,0,0,1,0,0|2,0,1]=4 7398 B13R1.567 CCCCN1CCCC(C1)OCC 34a_100000745229_100000210210 [0,0,0,1,0,0|2,0,1]=4 7399 B13R1.654 C#CCCCCNC1CCOC1=O 2230a_100000706060_100000211211 [0,0,0,1,0,0|1,0,2]=4 7400 B13R1.654 C#CCCCCNC1CCOC1=O 34a_100000706060_100000211211 [0,0,0,1,0,0|1,0,2]=4 7401 B13R1.654 C#CCCCCOC1CCOC1=O 34a_100000766709_100000211211 [0,0,0,1,0,0|1,0,2]=4 7402 B13R1.654 C#CCCCCOC1CCOC1=O 7a_100000766709_100000211211 [0,0,0,1,0,0|1,0,2]=4 7403 B13R1.654 C#CCCCCSC1CCOC1=O 62a_100000211211_100010269958 [0,0,0,1,0,0|1,0,2]=4 7404 B13R1.654 C#CCCCCSC1CCOC1=O 62a_100010269958_100000211211 [0,0,0,1,0,0|1,0,2]=4 7405 B13R1.654 C=CCCCCNC1CCOC1=O 2230a_100000703577_100000211211 [0,0,0,1,0,0|1,0,2]=4 7406 B13R1.654 C=CCCCCNC1CCOC1=O 34a_100000703577_100000211211 [0,0,0,1,0,0|1,0,2]=4 7407 B13R1.654 C=CCCCCOC1CCOC1=O 34a_100000766645_100000211211 [0,0,0,1,0,0|1,0,2]=4 7408 B13R1.654 C=CCCCCOC1CCOC1=O 7a_100000766645_100000211211 [0,0,0,1,0,0|1,0,2]=4 7409 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100000211211_100011215482 [0,0,0,1,0,0|1,0,2]=4 7410 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100011215482_100000211211 [0,0,0,1,0,0|1,0,2]=4 7411 B13R1.654 CC/C=C\CCOC1CCOC1=O 34a_100016288707_100000211211 [0,0,0,1,0,0|1,0,2]=4 7412 B13R1.654 CC/C=C\CCOC1CCOC1=O 7a_100016288707_100000211211 [0,0,0,1,0,0|1,0,2]=4 7413 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100000211211_100015370543 [0,0,0,1,0,0|1,0,2]=4 7414 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100015370543_100000211211 [0,0,0,1,0,0|1,0,2]=4 7415 B13R1.654 CC=CCCCOC1CCOC1=O 34a_100020645299_100000211211 [0,0,0,1,0,0|1,0,2]=4 7416 B13R1.654 CCC#CCCOC1CCOC1=O 34a_100000036655_100000211211 [0,0,0,1,0,0|1,0,2]=4 7417 B13R1.654 CCC#CCCOC1CCOC1=O 7a_100000036655_100000211211 [0,0,0,1,0,0|1,0,2]=4 7418 B13R1.654 CCC/C=C/COC1CCOC1=O 34a_100016278788_100000211211 [0,0,0,1,0,0|1,0,2]=4 7419 B13R1.654 CCC/C=C/COC1CCOC1=O 7a_100016278788_100000211211 [0,0,0,1,0,0|1,0,2]=4 7420 B13R1.654 CCCC#CCOC1CCOC1=O 34a_100000034806_100000211211 [0,0,0,1,0,0|1,0,2]=4 7421 B13R1.654 CCCC#CCOC1CCOC1=O 7a_100000034806_100000211211 [0,0,0,1,0,0|1,0,2]=4 7422 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,0,0,1,0,0|2,0,0]=3 7423 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,0,0,1,0,0|2,0,0]=3 7424 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,0,0,1,0,0|2,0,0]=3 7425 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,0,0,1,0,0|1,0,0]=2 7426 B13R1.654 CCCCCCNC1CCOC1C 270004a_100000210581_100000691750 [0,0,0,1,0,0|2,0,1]=4 7427 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,0,0,1,0,0|3,0,0]=4 7428 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,0,0,1,0,0|3,0,0]=4 7429 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,0,0,1,0,0|2,0,0]=3 7430 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,0,0,1,0,0|2,0,0]=3 7431 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,0,0,1,0,0|2,0,0]=3 7432 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,0,0,1,0,0|1,0,0]=2 7433 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,0,0,1,0,0|1,0,0]=2 7434 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,0,0,1,0,0|2,0,0]=3 7435 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,0,0,1,0,0|2,0,0]=3 7436 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,0,0,1,0,0|2,0,0]=3 7437 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,0,0,1,0,0|1,0,0]=2 7438 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,0,0,1,0,0|1,0,0]=2 7439 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,0,0,1,0,0|2,0,0]=3 7440 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,0,0,1,0,0|3,0,0]=4 7441 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,0,0,1,0,0|3,0,0]=4 7442 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,0,0,1,0,0|3,0,0]=4 7443 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,0,0,1,0,0|3,0,0]=4 7444 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,0,0,1,0,0|3,0,0]=4 7445 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100000102301_100000090651 [0,0,0,1,0,0|3,0,0]=4 7446 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100011207550_100000210211 [0,0,0,1,0,0|3,0,0]=4 7447 B13R1.654 CCCCNCCN1CCNC1=O 7a_106832991798_100000090651 [0,0,0,1,0,0|3,0,0]=4 7448 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,0,0,1,0,0|3,0,0]=4 7449 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,0,0,1,0,0|3,0,0]=4 7450 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,0,0,1,0,0|3,0,0]=4 7451 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,0,0,1,0,0|3,0,0]=4 7452 B13R1.654 CCCCOCCN1CCNC1=O 34a_100000216532_100000210210 [0,0,0,1,0,0|3,0,0]=4 7453 B13R1.654 CCCCOCCN1CCNC1=O 7a_100000210227_100000090651 [0,0,0,1,0,0|3,0,0]=4 7454 B13R1.654 CCCCOCNC1CCNC1=O 2230a_100016995588_100011995733 [0,0,0,1,0,0|3,0,0]=4 7455 B13R1.654 CCCCOCNC1CCNC1=O 34a_100016995588_100011995733 [0,0,0,1,0,0|3,0,0]=4 7456 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,0,0,1,0,0|3,0,0]=4 7457 B13R1.654 CCCCOCO[C@H]1CCNC1=O 34a_100000688343_100011995733 [0,0,0,1,0,0|3,0,0]=4 7458 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,0,0,1,0,0|3,0,0]=4 7459 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,0,0,1,0,0|3,0,0]=4 7460 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,0,0,1,0,0|2,0,0]=3 7461 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,0,0,1,0,0|2,0,0]=3 7462 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,0,0,1,0,0|3,0,0]=4 7463 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,0,0,1,0,0|3,0,0]=4 7464 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000090651_100000210210 [0,0,0,1,0,0|3,0,0]=4 7465 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000210211_100000090651 [0,0,0,1,0,0|3,0,0]=4 7466 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,0,0,1,0,0|3,0,0]=4 7467 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,0,0,1,0,0|3,0,0]=4 7468 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,0,0,1,0,0|3,0,0]=4 7469 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,0,0,1,0,0|3,0,0]=4 7470 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,0,0,1,0,0|3,0,0]=4 7471 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,0,0,1,0,0|3,0,0]=4 7472 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,0,0,1,0,0|3,0,0]=4 7473 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,0,0,1,0,0|3,0,0]=4 7474 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,0,0,1,0,0|2,0,0]=3 7475 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,0,0,1,0,0|2,0,0]=3 7476 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,0,0,1,0,0|3,0,0]=4 7477 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,0,0,1,0,0|3,0,0]=4 7478 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,0,0,1,0,0|3,0,0]=4 7479 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,0,0,1,0,0|2,0,0]=3 7480 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,0,0,1,0,0|2,0,0]=3 7481 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,0,0,1,0,0|3,0,0]=4 7482 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,0,0,1,0,0|3,0,0]=4 7483 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,0,0,1,0,0|3,0,0]=4 7484 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,0,0,1,0,0|2,0,0]=3 7485 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,0,0,1,0,0|2,0,0]=3 7486 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,0,0,1,0,0|3,0,0]=4 7487 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,0,0,1,0,0|2,0,0]=3 7488 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,0,0,1,0,0|3,0,0]=4 7489 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,0,0,1,0,0|3,0,0]=4 7490 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,0,0,1,0,0|2,0,0]=3 7491 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,0,0,1,0,0|2,0,0]=3 7492 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,0,0,1,0,0|3,0,0]=4 7493 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,0,0,1,0,0|3,0,0]=4 7494 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,0,0,1,0,0|3,0,0]=4 7495 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,0,0,1,0,0|3,0,0]=4 7496 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,0,0,1,0,0|2,0,0]=3 7497 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,0,0,1,0,0|2,0,0]=3 7498 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,0,0,1,0,0|3,0,0]=4 7499 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,0,0,1,0,0|3,0,0]=4 7500 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,0,0,1,0,0|3,0,0]=4 7501 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,0,0,1,0,0|2,0,0]=3 7502 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,0,0,1,0,0|2,0,0]=3 7503 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,0,0,1,0,0|3,0,0]=4 7504 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,0,0,1,0,0|3,0,0]=4 7505 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,0,0,1,0,0|3,0,0]=4 7506 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,0,0,1,0,0|2,0,0]=3 7507 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,0,0,1,0,0|2,0,0]=3 7508 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,0,0,1,0,0|3,0,0]=4 7509 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,0,0,1,0,0|3,0,0]=4 7510 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,0,0,1,0,0|3,0,0]=4 7511 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,0,0,1,0,0|2,0,0]=3 7512 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,0,0,1,0,0|2,0,0]=3 7513 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,0,0,1,0,0|3,0,0]=4 7514 B13R1.654 COCCCCNC1CCNC1=O 2230a_100016995588_100000730899 [0,0,0,1,0,0|3,0,0]=4 7515 B13R1.654 COCCCCNC1CCNC1=O 34a_100016995588_100000755781 [0,0,0,1,0,0|3,0,0]=4 7516 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,0,0,1,0,0|3,0,0]=4 7517 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,0,0,1,0,0|3,0,0]=4 7518 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,0,0,1,0,0|2,0,0]=3 7519 B13R1.654 COCCCCO[C@H]1CCNC1=O 34a_100000688343_100000755781 [0,0,0,1,0,0|3,0,0]=4 7520 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,0,0,1,0,0|3,0,0]=4 7521 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,0,0,1,0,0|3,0,0]=4 7522 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,0,0,1,0,0|2,0,0]=3 7523 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,0,0,1,0,0|2,0,0]=3 7524 B13R1.654 COCCCOCC1CCNC1=O 34a_100000133458_100000740836 [0,0,0,1,0,0|3,0,0]=4 7525 B13R1.654 COCCOCSC1CCOC1=O 62a_100000211211_100000231047 [0,0,0,1,0,0|3,0,0]=4 7526 B13R1.654 COCCOCSC1CCOC1=O 62a_100000231047_100000211211 [0,0,0,1,0,0|3,0,0]=4 7527 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,0,0,1,0,0|3,0,0]=4 7528 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,0,0,1,0,0|3,0,0]=4 7529 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,0,0,1,0,0|2,0,0]=3 7530 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,0,0,1,0,0|2,0,0]=3 7531 B13R1.654 N#CCCCCSC1CCOC1=O 62a_100000211211_100000211819 [0,0,0,1,0,0|2,0,1]=4 7532 B13R1.654 N#CCCCCSC1CCOC1=O 62a_100011219923_100000211211 [0,0,0,1,0,0|2,0,1]=4 7533 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,0,0,1,0,0|3,0,0]=4 7534 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,0,0,1,0,0|2,0,0]=3 7535 B13R1.654 NCCOCCOC1CCOC1=O 34a_100000211614_100000211211 [0,0,0,1,0,0|3,0,0]=4 7536 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,0,0,1,0,0|3,0,0]=4 7537 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,0,0,1,0,0|3,0,0]=4 7538 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,0,0,1,0,0|3,0,0]=4 7539 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,0,0,1,0,0|3,0,0]=4 7540 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,0,0,1,0,0|3,0,0]=4 7541 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,0,0,1,0,0|3,0,0]=4 7542 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,0,0,1,0,0|3,0,0]=4 7543 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,0,0,1,0,0|3,0,0]=4 7544 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,0,0,1,0,0|3,0,0]=4 7545 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,0,0,1,0,0|3,0,0]=4 7546 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,0,0,1,0,0|3,0,0]=4 7547 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,0,0,1,0,0|3,0,0]=4 7548 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,0,0,1,0,0|3,0,0]=4 7549 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,0,0,1,0,0|3,0,0]=4 7550 B13R1.654 O=C1NCCC1COCCCCF 34a_100000133458_100000729493 [0,0,0,1,0,0|3,0,0]=4 7551 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,0,0,1,0,0|3,0,0]=4 7552 B13R1.654 O=C1NCCC1NCCCCCF 2230a_100016995588_100000729378 [0,0,0,1,0,0|3,0,0]=4 7553 B13R1.654 O=C1NCCC1NCCCCCF 34a_100016995588_100000729378 [0,0,0,1,0,0|3,0,0]=4 7554 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,0,0,1,0,0|3,0,0]=4 7555 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,0,0,1,0,0|3,0,0]=4 7556 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 34a_100000688343_100000729378 [0,0,0,1,0,0|3,0,0]=4 7557 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,0,0,1,0,0|3,0,0]=4 7558 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,0,0,1,0,0|2,0,0]=3 7559 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,0,0,1,0,0|2,0,0]=3 7560 B13R1.654 O=C1OCCC1NCCOCCO 2230a_100000211614_100000211211 [0,0,0,1,0,0|3,0,0]=4 7561 B13R1.654 O=C1OCCC1NCCOCCO 34a_100000211614_100000211211 [0,0,0,1,0,0|3,0,0]=4 7562 B13R1.654 O=C1OCCC1NCCSCCO 2230a_100011219999_100000211211 [0,0,0,1,0,0|3,0,0]=4 7563 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,0,0,1,0,0|2,0,0]=3 7564 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,0,0,1,0,0|2,0,0]=3 7565 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,0,0,1,0,0|2,0,0]=3 7566 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,0,0,1,0,0|2,0,0]=3 7567 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,0,0,1,0,0|2,0,0]=3 7568 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,0,0,1,0,0|2,0,0]=3 7569 B13R1.654 O=C1OCCC1OCCOCCBr 34a_100000692535_100000211211 [0,0,0,1,0,0|3,0,0]=4 7570 B13R1.654 O=C1OCCC1OCCOCCBr 7a_100000692535_100000211211 [0,0,0,1,0,0|3,0,0]=4 7571 B13R1.654 O=C1OCCC1OCCOCCCl 34a_100011215305_100000211211 [0,0,0,1,0,0|3,0,0]=4 7572 B13R1.654 O=C1OCCC1OCCOCCCl 7a_100011215305_100000211211 [0,0,0,1,0,0|3,0,0]=4 7573 B13R1.654 O=C1OCCC1OCCOCCF 34a_200015357709_100000211211 [0,0,0,1,0,0|3,0,0]=4 7574 B13R1.654 O=C1OCCC1OCCOCCF 7a_200015357709_100000211211 [0,0,0,1,0,0|3,0,0]=4 7575 B13R1.654 O=C1OCCC1OCCOCCI 34a_100012149058_100000211211 [0,0,0,1,0,0|3,0,0]=4 7576 B13R1.654 O=C1OCCC1OCCOCCI 7a_100012149058_100000211211 [0,0,0,1,0,0|3,0,0]=4 7577 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,0,0,1,0,0|2,0,0]=3 7578 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,0,0,1,0,0|2,0,0]=3 7579 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,0,0,1,0,0|2,0,0]=3 7580 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,0,0,1,0,0|2,0,0]=3 7581 B13R1.654 O=C1OCCC1SCCOCCO 62a_100000211211_100011215305 [0,0,0,1,0,0|3,0,0]=4 7582 B13R1.654 O=C1OCCC1SCCOCCO 62a_100011215305_100000211211 [0,0,0,1,0,0|3,0,0]=4 7583 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000139335_100000211211 [0,0,0,1,0,0|2,0,1]=4 7584 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000211211_100000139335 [0,0,0,1,0,0|2,0,1]=4 7585 B13R1.657 CCCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210326 [0,0,0,1,0,0|2,0,1]=4 7586 B13R1.657 CCCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210215 [0,0,0,1,0,0|2,0,1]=4 7587 B13R1.657 CCCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000718602 [0,0,0,1,0,0|2,0,1]=4 7588 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,0,0,1,0,0|2,0,0]=3 7589 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,0,0,1,0,0|2,0,0]=3 7590 B13R1.1149 CCOCCN1CCNC(=O)CC1 2230a_100000698595_100011215890 [0,0,0,1,0,0|3,0,0]=4 7591 B13R1.1149 CCOCCN1CCNC(=O)CC1 269982a_100000698595_100011215890 [0,0,0,1,0,0|3,0,0]=4 7592 B13R1.1149 CCSCCN1CCNC(=O)CC1 2230a_100000698595_100000757381 [0,0,0,1,0,0|3,0,0]=4 7593 B13R1.1149 CCSCCN1CCNC(=O)CC1 269982a_100000698595_100000757381 [0,0,0,1,0,0|3,0,0]=4 7594 B13R1.1149 COCCCN1CCNC(=O)CC1 2230a_100000698595_100000740836 [0,0,0,1,0,0|3,0,0]=4 7595 B13R1.1149 COCCCN1CCNC(=O)CC1 269982a_100000698595_100000740836 [0,0,0,1,0,0|3,0,0]=4 7596 B13R1.1149 O=C1CCN(CCN1)CCCCF 2230a_100000698595_100000729493 [0,0,0,1,0,0|3,0,0]=4 7597 B13R1.1149 O=C1CCN(CCN1)CCCCF 269982a_100000698595_100000729493 [0,0,0,1,0,0|3,0,0]=4 7598 B13R1.1149 O=C1CCN(CCN1)CCCCO 2230a_100000698595_100000210776 [0,0,0,1,0,0|3,0,0]=4 7599 B13R1.1149 O=C1CCN(CCN1)CCCCO 269982a_100000698595_100000210776 [0,0,0,1,0,0|3,0,0]=4 7600 B13R1.1464 CC=CC(=O)N1CCCCCCC1 11a_100000211400_100000210699 [0,0,0,1,0,0|2,0,1]=4 7601 B13R1.1464 CC=CC(=O)N1CCCCCCC1 1626a_100000211400_100000210699 [0,0,0,1,0,0|2,0,1]=4 7602 B13R1.1464 CC=CC(=O)N1CCCCCCC1 240690a_100000211400_100000210699 [0,0,0,1,0,0|2,0,1]=4 7603 B13R1.1464 CCCC(=O)C1CC/C=C\CCC1 1458a_100000211992_100021000466 [0,0,0,1,0,0|1,0,2]=4 7604 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [0,0,0,1,0,0|2,0,0]=3 7605 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [0,0,0,1,0,0|2,0,0]=3 7606 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [0,0,0,1,0,0|2,0,0]=3 7607 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [0,0,0,1,0,0|2,0,0]=3 7608 B13R1.1464 CCCN(C)C1CCCCCCC1 270004a_100000747261_100000210524 [0,0,0,1,0,0|3,0,0]=4 7609 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [0,0,0,1,0,0|2,0,0]=3 7610 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [0,0,0,1,0,0|2,0,0]=3 7611 B13R1.1464 CNCC(=O)N1CCCCCCC1 2230a_106832991635_100000230191 [0,0,0,1,0,0|3,0,0]=4 7612 B13R1.1464 CNCC(=O)N1CCCCCCC1 34a_100102657272_100000230191 [0,0,0,1,0,0|3,0,0]=4 7613 B13R1.1464 CNCC(=O)N1CCCCCCC1 7a_106832991635_100000230191 [0,0,0,1,0,0|3,0,0]=4 7614 B13R1.1464 COCC(=O)N1CCCCCCC1 11a_100000211400_100000210968 [0,0,0,1,0,0|3,0,0]=4 7615 B13R1.1464 COCC(=O)N1CCCCCCC1 1626a_100000211400_100000210968 [0,0,0,1,0,0|3,0,0]=4 7616 B13R1.1464 COCC(=O)N1CCCCCCC1 240690a_100000211400_100000210968 [0,0,0,1,0,0|3,0,0]=4 7617 B13R1.1464 COCC(=O)N1CCCCCCC1 34a_100138415774_100000230191 [0,0,0,1,0,0|3,0,0]=4 7618 B13R1.1464 COCC(=O)N1CCCCCCC1 527a_100000211400_100000210968 [0,0,0,1,0,0|3,0,0]=4 7619 B13R1.1464 CSCC(=O)N1CCCCCCC1 11a_100000211400_100000184570 [0,0,0,1,0,0|3,0,0]=4 7620 B13R1.1464 CSCC(=O)N1CCCCCCC1 1626a_100000211400_100000184570 [0,0,0,1,0,0|3,0,0]=4 7621 B13R1.1464 CSCC(=O)N1CCCCCCC1 240690a_100000211400_100000184570 [0,0,0,1,0,0|3,0,0]=4 7622 B13R1.1464 CSCC(=O)N1CCCCCCC1 527a_100000211400_100000184570 [0,0,0,1,0,0|3,0,0]=4 7623 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_100000230191_200000210301 [0,0,0,1,0,0|3,0,0]=4 7624 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_200000210301_100000230191 [0,0,0,1,0,0|3,0,0]=4 7625 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [0,0,0,1,0,0|3,0,0]=4 7626 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_100000230191_200025704644 [0,0,0,1,0,0|3,0,0]=4 7627 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_200025704644_100000230191 [0,0,0,1,0,0|3,0,0]=4 7628 B13R1.1575 C#CCC(=O)CC1CCCCCC1 1458a_100000685095_100000184674 [0,0,0,1,0,0|1,0,2]=4 7629 B13R1.1575 C#CCC(=O)CC1CCCCCC1 1458a_100011220946_200000696569 [0,0,0,1,0,0|1,0,2]=4 7630 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000210193_200000696569 [0,0,0,1,0,0|1,0,2]=4 7631 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210623 [0,0,0,1,0,0|1,0,2]=4 7632 B13R1.1575 C=COC(=O)CN1CCCCCC1 2230a_100000185865_100000036128 [0,0,0,1,0,0|1,0,2]=4 7633 B13R1.1575 C=COC(=O)CN1CCCCCC1 269982a_100000185865_100000036128 [0,0,0,1,0,0|1,0,2]=4 7634 B13R1.1575 C=COC(=O)CN1CCCCCC1 34a_100000185865_100000036128 [0,0,0,1,0,0|1,0,2]=4 7635 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [0,0,0,1,0,0|1,0,1]=3 7636 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [0,0,0,1,0,0|1,0,1]=3 7637 B13R1.1575 CC=CC(=O)NC1CCCCCC1 11a_100000210984_100000210699 [0,0,0,1,0,0|2,0,1]=4 7638 B13R1.1575 CC=CC(=O)NC1CCCCCC1 1626a_100000210984_100000210699 [0,0,0,1,0,0|2,0,1]=4 7639 B13R1.1575 CC=CC(=O)NC1CCCCCC1 240690a_100000210984_100000210699 [0,0,0,1,0,0|2,0,1]=4 7640 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,0,0,1,0,0|1,0,2]=4 7641 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,0,0,1,0,0|1,0,0]=2 7642 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,0,0,1,0,0|1,0,0]=2 7643 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,0,0,1,0,0|2,0,0]=3 7644 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,0,0,1,0,0|2,0,0]=3 7645 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,0,0,1,0,0|2,0,0]=3 7646 B13R1.1575 CCCC(=O)CN1CCCOCC1 2230a_100000685342_100000747444 [0,0,0,1,0,0|3,0,0]=4 7647 B13R1.1575 CCCC(=O)CN1CCCOCC1 269982a_100000685342_100000747444 [0,0,0,1,0,0|3,0,0]=4 7648 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,0,0,1,0,0|2,0,0]=3 7649 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,0,0,1,0,0|2,0,0]=3 7650 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,0,0,1,0,0|2,0,0]=3 7651 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,0,0,1,0,0|2,0,0]=3 7652 B13R1.1575 CCCN(C)CC1CCCCCC1 2230a_100000747261_200000696569 [0,0,0,1,0,0|3,0,0]=4 7653 B13R1.1575 CCCN(C)CC1CCCCCC1 269982a_100000747261_200000696569 [0,0,0,1,0,0|3,0,0]=4 7654 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [0,0,0,1,0,0|1,0,2]=4 7655 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [0,0,0,1,0,0|1,0,2]=4 7656 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,0,0,1,0,0|1,0,0]=2 7657 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,0,0,1,0,0|1,0,0]=2 7658 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,0,0,1,0,0|1,0,0]=2 7659 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [0,0,0,1,0,0|2,0,0]=3 7660 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [0,0,0,1,0,0|2,0,0]=3 7661 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [0,0,0,1,0,0|2,0,0]=3 7662 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [0,0,0,1,0,0|2,0,0]=3 7663 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [0,0,0,1,0,0|2,0,0]=3 7664 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [0,0,0,1,0,0|2,0,0]=3 7665 B13R1.1575 CCNC(=O)CN1CCCOCC1 2230a_100000685342_100000183381 [0,0,0,1,0,0|3,0,0]=4 7666 B13R1.1575 CCNC(=O)CN1CCCOCC1 269982a_100000685342_100000183381 [0,0,0,1,0,0|3,0,0]=4 7667 B13R1.1575 CCNC(=O)CN1CCCOCC1 34a_100000685342_100000183381 [0,0,0,1,0,0|3,0,0]=4 7668 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,0,0,1,0,0|2,0,0]=3 7669 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,0,0,1,0,0|2,0,0]=3 7670 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,0,0,1,0,0|2,0,0]=3 7671 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,0,0,1,0,0|2,0,0]=3 7672 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,0,0,1,0,0|2,0,0]=3 7673 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,0,0,1,0,0|1,0,0]=2 7674 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,0,0,1,0,0|1,0,0]=2 7675 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,0,0,1,0,0|1,0,0]=2 7676 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,0,0,1,0,0|2,0,0]=3 7677 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,0,0,1,0,0|2,0,0]=3 7678 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,0,0,1,0,0|2,0,0]=3 7679 B13R1.1575 CNCC(=O)NC1CCCCCC1 2230a_106832991635_100000183474 [0,0,0,1,0,0|3,0,0]=4 7680 B13R1.1575 CNCC(=O)NC1CCCCCC1 34a_100102657272_100000183474 [0,0,0,1,0,0|3,0,0]=4 7681 B13R1.1575 CNCC(=O)NC1CCCCCC1 7a_106832991635_100000183474 [0,0,0,1,0,0|3,0,0]=4 7682 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [0,0,0,1,0,0|2,0,0]=3 7683 B13R1.1575 CNNC(=O)CN1CCCCCC1 22a_100016993582_100000740298 [0,0,0,1,0,0|3,0,0]=4 7684 B13R1.1575 CNNC(=O)NC1CCCCCC1 273464a_100000210984_100016993582 [0,0,0,1,0,0|3,0,0]=4 7685 B13R1.1575 CNNC(=O)NC1CCCCCC1 512a_100016993582_100000210984 [0,0,0,1,0,0|3,0,0]=4 7686 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,0,0,1,0,0|2,0,0]=3 7687 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [0,0,0,1,0,0|3,0,0]=4 7688 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [0,0,0,1,0,0|3,0,0]=4 7689 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [0,0,0,1,0,0|3,0,0]=4 7690 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [0,0,0,1,0,0|3,0,0]=4 7691 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [0,0,0,1,0,0|3,0,0]=4 7692 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [0,0,0,1,0,0|2,0,0]=3 7693 B13R1.1575 CSCC(=O)NC1CCCCCC1 11a_100000210984_100000184570 [0,0,0,1,0,0|3,0,0]=4 7694 B13R1.1575 CSCC(=O)NC1CCCCCC1 1626a_100000210984_100000184570 [0,0,0,1,0,0|3,0,0]=4 7695 B13R1.1575 CSCC(=O)NC1CCCCCC1 240690a_100000210984_100000184570 [0,0,0,1,0,0|3,0,0]=4 7696 B13R1.1575 CSCC(=O)NC1CCCCCC1 527a_100000210984_100000184570 [0,0,0,1,0,0|3,0,0]=4 7697 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_100000183474_200000210301 [0,0,0,1,0,0|3,0,0]=4 7698 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_200000210301_100000183474 [0,0,0,1,0,0|3,0,0]=4 7699 B13R1.1575 N#CCC(=O)CC1CCCCCC1 1458a_100000685095_100011214920 [0,0,0,1,0,0|2,0,1]=4 7700 B13R1.1575 N#CCC(=O)CC1CCCCCC1 1458a_100051588842_200000696569 [0,0,0,1,0,0|2,0,1]=4 7701 B13R1.1575 O=C(C=CBr)CC1CCCCCC1 1458a_100016273825_200000696569 [0,0,0,1,0,0|2,0,1]=4 7702 B13R1.1575 O=C(C=CCl)CC1CCCCCC1 1458a_200016279998_200000696569 [0,0,0,1,0,0|2,0,1]=4 7703 B13R1.1575 O=C(C=CI)CC1CCCCCC1 1458a_100016256311_200000696569 [0,0,0,1,0,0|2,0,1]=4 7704 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,0,0,1,0,0|2,0,0]=3 7705 B13R1.1575 O=C(CCF)CN1CCCCCC1 1458a_100000740298_100011217306 [0,0,0,1,0,0|3,0,0]=4 7706 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,0,0,1,0,0|2,0,0]=3 7707 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,0,0,1,0,0|2,0,0]=3 7708 B13R1.1575 O=C(CCO)CN1CCCCCC1 1458a_100000740298_100000211926 [0,0,0,1,0,0|3,0,0]=4 7709 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,0,0,1,0,0|3,0,0]=4 7710 B13R1.1575 O=C(CN1CCCCCC1)NCO 2230a_100000185865_100000185155 [0,0,0,1,0,0|3,0,0]=4 7711 B13R1.1575 O=C(CN1CCCCCC1)NCO 269982a_100000185865_100000185155 [0,0,0,1,0,0|3,0,0]=4 7712 B13R1.1575 O=C(CN1CCCCCC1)NCO 34a_100000185865_100000185155 [0,0,0,1,0,0|3,0,0]=4 7713 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_100000183474_200025704644 [0,0,0,1,0,0|3,0,0]=4 7714 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_200025704644_100000183474 [0,0,0,1,0,0|3,0,0]=4 7715 B13R1.1892 CCCCCCN1CC(C1)OCC 269982a_100000732654_100000210757 [0,0,0,1,0,0|2,0,1]=4 7716 B13R1.1892 CCCCCCN1CC(C1)OCC 34a_100000732654_100000210314 [0,0,0,1,0,0|2,0,1]=4 7717 B13R1.3151 C#CCCCCCCC(=O)C1CC1 1458a_100000210395_100012276617 [0,0,0,1,0,0|1,0,2]=4 7718 B13R1.3151 C=CCCCCCCC(=O)C1CC1 1458a_100000210395_100011215473 [0,0,0,1,0,0|1,0,2]=4 7719 B13R1.3151 CCCCCC#CCC(=O)C1CC1 1458a_100000210395_100009816472 [0,0,0,1,0,0|1,0,2]=4 7720 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,0,0,1,0,0|1,0,0]=2 7721 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,0,0,1,0,0|2,0,0]=3 7722 B13R1.3151 CCCCCCCCN(C)C1CC1 2230a_100000226674_100000210759 [0,0,0,1,0,0|3,0,0]=4 7723 B13R1.3151 CCCCCCCCN(C)C1CC1 269982a_100000207567_100000211595 [0,0,0,1,0,0|3,0,0]=4 7724 B13R1.3151 CCCCCCCCN(C)C1CC1 269982a_100000226674_100000210759 [0,0,0,1,0,0|3,0,0]=4 7725 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [0,0,0,1,0,0|2,0,0]=3 7726 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [0,0,0,1,0,0|2,0,0]=3 7727 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [0,0,0,1,0,0|2,0,0]=3 7728 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [0,0,0,1,0,0|2,0,0]=3 7729 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,0,0,1,0,0|3,0,0]=4 7730 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,0,0,1,0,0|3,0,0]=4 7731 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,0,0,1,0,0|3,0,0]=4 7732 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,0,0,1,0,0|3,0,0]=4 7733 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [0,0,0,1,0,0|2,0,0]=3 7734 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [0,0,0,1,0,0|2,0,0]=3 7735 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [0,0,0,1,0,0|2,0,0]=3 7736 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [0,0,0,1,0,0|2,0,0]=3 7737 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [0,0,0,1,0,0|2,0,0]=3 7738 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [0,0,0,1,0,0|2,0,0]=3 7739 B13R1.3151 CCCCCNCOC(=O)C1CC1 2230a_100000209983_100000140896 [0,0,0,1,0,0|3,0,0]=4 7740 B13R1.3151 CCCCCOCOC(=O)C1CC1 34a_100000210253_100000140896 [0,0,0,1,0,0|3,0,0]=4 7741 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000140896_100000210326 [0,0,0,1,0,0|3,0,0]=4 7742 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000210326_100000140896 [0,0,0,1,0,0|3,0,0]=4 7743 B13R1.3151 CCCCOCOCC(=O)C1CC1 34a_100000686663_100011995733 [0,0,0,1,0,0|3,0,0]=4 7744 B13R1.3151 CCCCOCSCC(=O)C1CC1 62a_100000746382_100011995733 [0,0,0,1,0,0|3,0,0]=4 7745 B13R1.3151 CCCCOCSCC(=O)C1CC1 62a_100011995733_100000746382 [0,0,0,1,0,0|3,0,0]=4 7746 B13R1.3151 CCCCSCCNC(=O)C1CC1 11a_100025743550_100000210395 [0,0,0,1,0,0|3,0,0]=4 7747 B13R1.3151 CCCCSCCNC(=O)C1CC1 1626a_100025743550_100000210395 [0,0,0,1,0,0|3,0,0]=4 7748 B13R1.3151 CCCCSCCNC(=O)C1CC1 240690a_100025743550_100000210395 [0,0,0,1,0,0|3,0,0]=4 7749 B13R1.3151 CCCCSCCNC(=O)C1CC1 527a_100025743550_100000210395 [0,0,0,1,0,0|3,0,0]=4 7750 B13R1.3151 CCCOCCCNC(=O)C1CC1 1626a_100011217757_100000210395 [0,0,0,1,0,0|3,0,0]=4 7751 B13R1.3151 CCCOCCCNC(=O)C1CC1 240690a_100011217757_100000210395 [0,0,0,1,0,0|3,0,0]=4 7752 B13R1.3151 CCCOCCCNC(=O)C1CC1 527a_100011217757_100000210395 [0,0,0,1,0,0|3,0,0]=4 7753 B13R1.3151 CCCOCCNCC(=O)C1CC1 2230a_100161115042_100000746382 [0,0,0,1,0,0|3,0,0]=4 7754 B13R1.3151 CCCOCCNCC(=O)C1CC1 34a_100161115042_100000746382 [0,0,0,1,0,0|3,0,0]=4 7755 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000686663_100011215938 [0,0,0,1,0,0|3,0,0]=4 7756 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000752267_100000746382 [0,0,0,1,0,0|3,0,0]=4 7757 B13R1.3151 CCCOCCOCC(=O)C1CC1 7a_100000752267_100000746382 [0,0,0,1,0,0|3,0,0]=4 7758 B13R1.3151 CCCOCCSCC(=O)C1CC1 62a_100000746382_100011215938 [0,0,0,1,0,0|3,0,0]=4 7759 B13R1.3151 CCCOCCSCC(=O)C1CC1 62a_100011215938_100000746382 [0,0,0,1,0,0|3,0,0]=4 7760 B13R1.3151 CCCSCCNCC(=O)C1CC1 2230a_100020603323_100000746382 [0,0,0,1,0,0|3,0,0]=4 7761 B13R1.3151 CCCSCCOCC(=O)C1CC1 34a_200000230433_100000746382 [0,0,0,1,0,0|3,0,0]=4 7762 B13R1.3151 CCCSCCOCC(=O)C1CC1 7a_200000230433_100000746382 [0,0,0,1,0,0|3,0,0]=4 7763 B13R1.3151 CCOCCCNCC(=O)C1CC1 2230a_100000210961_100000746382 [0,0,0,1,0,0|3,0,0]=4 7764 B13R1.3151 CCOCCCNCC(=O)C1CC1 34a_100000210961_100000746382 [0,0,0,1,0,0|3,0,0]=4 7765 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000686663_100012232248 [0,0,0,1,0,0|3,0,0]=4 7766 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000757476_100000746382 [0,0,0,1,0,0|3,0,0]=4 7767 B13R1.3151 CCOCCCOCC(=O)C1CC1 7a_100000757476_100000746382 [0,0,0,1,0,0|3,0,0]=4 7768 B13R1.3151 CCOCCCSCC(=O)C1CC1 62a_100000746382_100012232248 [0,0,0,1,0,0|3,0,0]=4 7769 B13R1.3151 CCOCCCSCC(=O)C1CC1 62a_100012232248_100000746382 [0,0,0,1,0,0|3,0,0]=4 7770 B13R1.3151 CCOCCOCCC(=O)C1CC1 1458a_100000210395_100011211534 [0,0,0,1,0,0|3,0,0]=4 7771 B13R1.3151 CCSCCCOCC(=O)C1CC1 34a_100011216438_100000746382 [0,0,0,1,0,0|3,0,0]=4 7772 B13R1.3151 CCSCCCOCC(=O)C1CC1 7a_100011216438_100000746382 [0,0,0,1,0,0|3,0,0]=4 7773 B13R1.3151 COCCCCCCC(=O)C1CC1 1458a_100000210395_100011998445 [0,0,0,1,0,0|2,0,0]=3 7774 B13R1.3151 COCCCCCCC(=O)C1CO1 1458a_100000701028_100011998445 [0,0,0,1,0,0|3,0,0]=4 7775 B13R1.3151 COCCCCCNC(=O)C1CC1 11a_100000747528_100000210395 [0,0,0,1,0,0|3,0,0]=4 7776 B13R1.3151 COCCCCCNC(=O)C1CC1 1626a_100000747528_100000210395 [0,0,0,1,0,0|3,0,0]=4 7777 B13R1.3151 COCCCCCNC(=O)C1CC1 240690a_100000747528_100000210395 [0,0,0,1,0,0|3,0,0]=4 7778 B13R1.3151 COCCCCCNC(=O)C1CC1 527a_100000747528_100000210395 [0,0,0,1,0,0|3,0,0]=4 7779 B13R1.3151 COCCCCOCC(=O)C1CC1 34a_100000686663_100000755781 [0,0,0,1,0,0|3,0,0]=4 7780 B13R1.3151 COCCCCOCC(=O)C1CC1 34a_100000740925_100000746382 [0,0,0,1,0,0|3,0,0]=4 7781 B13R1.3151 COCCCCSCC(=O)C1CC1 62a_100000730899_100000746382 [0,0,0,1,0,0|3,0,0]=4 7782 B13R1.3151 COCCCCSCC(=O)C1CC1 62a_100000746382_100000730899 [0,0,0,1,0,0|3,0,0]=4 7783 B13R1.3151 COCCOCCCC(=O)C1CC1 1458a_100000210395_100011216529 [0,0,0,1,0,0|3,0,0]=4 7784 B13R1.3151 CSCCCCOCC(=O)C1CC1 34a_100011217163_100000746382 [0,0,0,1,0,0|3,0,0]=4 7785 B13R1.3151 CSCCCCOCC(=O)C1CC1 7a_100011217163_100000746382 [0,0,0,1,0,0|3,0,0]=4 7786 B13R1.3151 N#CCCCCCCC(=O)C1CC1 1458a_100000210395_100009813337 [0,0,0,1,0,0|2,0,1]=4 7787 B13R1.3151 NCCCCCOCC(=O)C1CC1 34a_100000762737_100000746382 [0,0,0,1,0,0|3,0,0]=4 7788 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [0,0,0,1,0,0|2,0,0]=3 7789 B13R1.3151 O=C(CCCCCCCO)C1CO1 1458a_100000701028_100000760002 [0,0,0,1,0,0|3,0,0]=4 7790 B13R1.3151 O=C(CNCCCCCO)C1CC1 2230a_100000762737_100000746382 [0,0,0,1,0,0|3,0,0]=4 7791 B13R1.3151 O=C(CNCCCCCO)C1CC1 34a_100000762737_100000746382 [0,0,0,1,0,0|3,0,0]=4 7792 B13R1.3151 O=C(COCCCCCBr)C1CC1 34a_100000746331_100000746382 [0,0,0,1,0,0|3,0,0]=4 7793 B13R1.3151 O=C(COCCCCCBr)C1CC1 7a_100000746331_100000746382 [0,0,0,1,0,0|3,0,0]=4 7794 B13R1.3151 O=C(COCCCCCCl)C1CC1 34a_100000746330_100000746382 [0,0,0,1,0,0|3,0,0]=4 7795 B13R1.3151 O=C(COCCCCCCl)C1CC1 7a_100000746330_100000746382 [0,0,0,1,0,0|3,0,0]=4 7796 B13R1.3151 O=C(COCCCCCF)C1CC1 34a_100000686663_100000729378 [0,0,0,1,0,0|3,0,0]=4 7797 B13R1.3151 O=C(COCCCCCI)C1CC1 34a_200012148887_100000746382 [0,0,0,1,0,0|3,0,0]=4 7798 B13R1.3151 O=C(COCCCCCI)C1CC1 7a_200012148887_100000746382 [0,0,0,1,0,0|3,0,0]=4 7799 B13R1.3151 O=C(COCCCCCO)C1CC1 34a_100000686663_100000746330 [0,0,0,1,0,0|3,0,0]=4 7800 B13R1.3151 O=C(CSCCCCCF)C1CC1 62a_100000729378_100000746382 [0,0,0,1,0,0|3,0,0]=4 7801 B13R1.3151 O=C(CSCCCCCF)C1CC1 62a_100000746382_100000729378 [0,0,0,1,0,0|3,0,0]=4 7802 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746330_100000746382 [0,0,0,1,0,0|3,0,0]=4 7803 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746382_100000746330 [0,0,0,1,0,0|3,0,0]=4 7804 B13R1.3151 O=C(NCCCCCCO)C1CC1 240690a_100000686447_100000210395 [0,0,0,1,0,0|3,0,0]=4 7805 B13R1.3151 O=C(NCCCCCCO)C1CC1 527a_100000686447_100000210395 [0,0,0,1,0,0|3,0,0]=4 7806 B13R1.3516 CCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210211 [0,0,0,1,0,0|3,0,0]=4 7807 B13R1.3516 CCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210211 [0,0,0,1,0,0|3,0,0]=4 7808 B13R1.3516 CCCCN1CCNC(=O)C1CC 34a_100000187962_100000210210 [0,0,0,1,0,0|3,0,0]=4 7809 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [2,0,0,0,0,0|0,0,2]=4 7810 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [2,0,0,0,0,0|0,0,2]=4 7811 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [2,0,0,0,0,0|0,0,2]=4 7812 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [2,0,0,0,0,0|1,0,1]=4 7813 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [2,0,0,0,0,0|1,0,1]=4 7814 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [2,0,0,0,0,0|1,0,1]=4 7815 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [2,0,0,0,0,0|1,0,1]=4 7816 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [2,0,0,0,0,0|1,0,1]=4 7817 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [2,0,0,0,0,0|1,0,1]=4 7818 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [2,0,0,0,0,0|0,0,2]=4 7819 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [2,0,0,0,0,0|0,0,2]=4 7820 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [2,0,0,0,0,0|0,0,2]=4 7821 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [2,0,0,0,0,0|1,0,1]=4 7822 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [2,0,0,0,0,0|1,0,1]=4 7823 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [2,0,0,0,0,0|1,0,1]=4 7824 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [2,0,0,0,0,0|1,0,1]=4 7825 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [2,0,0,0,0,0|1,0,1]=4 7826 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [2,0,0,0,0,0|1,0,1]=4 7827 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [2,0,0,0,0,0|1,0,1]=4 7828 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [2,0,0,0,0,0|0,0,2]=4 7829 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [2,0,0,0,0,0|0,0,2]=4 7830 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [2,0,0,0,0,0|1,0,1]=4 7831 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [2,0,0,0,0,0|1,0,1]=4 7832 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [2,0,0,0,0,0|1,0,1]=4 7833 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [2,0,0,0,0,0|1,0,1]=4 7834 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [2,0,0,0,0,0|1,0,1]=4 7835 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [2,0,0,0,0,0|1,0,1]=4 7836 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [2,0,0,0,0,0|1,0,1]=4 7837 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [2,0,0,0,0,0|1,0,1]=4 7838 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [2,0,0,0,0,0|1,0,1]=4 7839 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [2,0,0,0,0,0|1,0,1]=4 7840 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [2,0,0,0,0,0|1,0,1]=4 7841 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [2,0,0,0,0,0|1,0,1]=4 7842 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [2,0,0,0,0,0|1,0,1]=4 7843 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [2,0,0,0,0,0|1,0,1]=4 7844 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [2,0,0,0,0,0|1,0,1]=4 7845 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [2,0,0,0,0,0|1,0,1]=4 7846 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [2,0,0,0,0,0|1,0,1]=4 7847 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [2,0,0,0,0,0|1,0,1]=4 7848 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [2,0,0,0,0,0|1,0,1]=4 7849 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [2,0,0,0,0,0|1,0,1]=4 7850 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [2,0,0,0,0,0|0,0,2]=4 7851 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [2,0,0,0,0,0|0,0,2]=4 7852 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [2,0,0,0,0,0|0,0,2]=4 7853 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [2,0,0,0,0,0|0,0,2]=4 7854 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [2,0,0,0,0,0|0,0,2]=4 7855 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [2,0,0,0,0,0|0,0,2]=4 7856 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [2,0,0,0,0,0|0,0,2]=4 7857 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [2,0,0,0,0,0|0,0,2]=4 7858 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [2,0,0,0,0,0|0,0,2]=4 7859 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 7860 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [2,0,0,0,0,0|1,0,1]=4 7861 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [2,0,0,0,0,0|1,0,1]=4 7862 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [2,0,0,0,0,0|1,0,1]=4 7863 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [2,0,0,0,0,0|1,0,1]=4 7864 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 7865 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [2,0,0,0,0,0|1,0,1]=4 7866 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [2,0,0,0,0,0|0,0,1]=3 7867 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [2,0,0,0,0,0|0,0,1]=3 7868 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [2,0,0,0,0,0|0,0,1]=3 7869 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [2,0,0,0,0,0|0,0,1]=3 7870 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [2,0,0,0,0,0|0,0,1]=3 7871 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [2,0,0,0,0,0|0,1,1]=4 7872 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [2,0,0,0,0,0|0,1,1]=4 7873 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [2,0,0,0,0,0|1,0,0]=3 7874 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [2,0,0,0,0,0|1,0,0]=3 7875 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [2,0,0,0,0,0|1,0,0]=3 7876 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [2,0,0,0,0,0|2,0,0]=4 7877 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [2,0,0,0,0,0|0,0,0]=2 7878 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [2,0,0,0,0,0|0,0,0]=2 7879 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [2,0,0,0,0,0|0,0,0]=2 7880 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [2,0,0,0,0,0|1,0,0]=3 7881 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [2,0,0,0,0,0|1,0,0]=3 7882 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [2,0,0,0,0,0|0,1,0]=3 7883 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [2,0,0,0,0,0|0,1,0]=3 7884 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [2,0,0,0,0,0|1,1,0]=4 7885 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [2,0,0,0,0,0|1,1,0]=4 7886 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [2,0,0,0,0,0|1,0,1]=4 7887 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [2,0,0,0,0,0|1,0,1]=4 7888 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [2,0,0,0,0,0|1,0,1]=4 7889 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [2,0,0,0,0,0|1,0,1]=4 7890 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [2,0,0,0,0,0|1,0,1]=4 7891 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [2,0,0,0,0,0|1,0,1]=4 7892 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [2,0,0,0,0,0|1,0,1]=4 7893 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [2,0,0,0,0,0|1,0,1]=4 7894 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [2,0,0,0,0,0|1,0,1]=4 7895 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [2,0,0,0,0,0|1,0,1]=4 7896 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [2,0,0,0,0,0|1,0,1]=4 7897 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [2,0,0,0,0,0|1,0,1]=4 7898 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [2,0,0,0,0,0|1,0,1]=4 7899 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [2,0,0,0,0,0|1,0,1]=4 7900 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [2,0,0,0,0,0|1,0,1]=4 7901 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [2,0,0,0,0,0|1,0,1]=4 7902 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [2,0,0,0,0,0|1,0,1]=4 7903 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [2,0,0,0,0,0|1,0,1]=4 7904 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [2,0,0,0,0,0|1,0,1]=4 7905 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [2,0,0,0,0,0|1,0,1]=4 7906 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [2,0,0,0,0,0|1,0,1]=4 7907 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [2,0,0,0,0,0|1,0,1]=4 7908 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [2,0,0,0,0,0|1,0,1]=4 7909 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [2,0,0,0,0,0|1,0,1]=4 7910 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [2,0,0,0,0,0|1,0,1]=4 7911 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [2,0,0,0,0,0|1,0,1]=4 7912 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [2,0,0,0,0,0|1,0,1]=4 7913 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [2,0,0,0,0,0|1,0,1]=4 7914 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [2,0,0,0,0,0|1,0,1]=4 7915 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [2,0,0,0,0,0|1,0,0]=3 7916 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [2,0,0,0,0,0|1,0,0]=3 7917 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [2,0,0,0,0,0|1,0,1]=4 7918 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [2,0,0,0,0,0|1,0,1]=4 7919 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [2,0,0,0,0,0|1,0,1]=4 7920 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [2,0,0,0,0,0|1,0,0]=3 7921 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [2,0,0,0,0,0|1,0,0]=3 7922 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [2,0,0,0,0,0|1,0,0]=3 7923 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [2,0,0,0,0,0|1,0,0]=3 7924 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [2,0,0,0,0,0|2,0,0]=4 7925 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [2,0,0,0,0,0|1,1,0]=4 7926 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [2,0,0,0,0,0|1,1,0]=4 7927 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [2,0,0,0,0,0|1,0,1]=4 7928 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [2,0,0,0,0,0|1,0,1]=4 7929 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [2,0,0,0,0,0|1,0,1]=4 7930 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [2,0,0,0,0,0|1,0,1]=4 7931 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [2,0,0,0,0,0|1,0,1]=4 7932 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [2,0,0,0,0,0|1,0,0]=3 7933 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [2,0,0,0,0,0|1,0,0]=3 7934 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [2,0,0,0,0,0|1,0,0]=3 7935 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [2,0,0,0,0,0|1,0,0]=3 7936 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [2,0,0,0,0,0|1,0,0]=3 7937 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [2,0,0,0,0,0|1,0,0]=3 7938 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [2,0,0,0,0,0|2,0,0]=4 7939 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [2,0,0,0,0,0|2,0,0]=4 7940 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [2,0,0,0,0,0|1,1,0]=4 7941 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [2,0,0,0,0,0|1,1,0]=4 7942 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [2,0,0,0,0,0|1,1,0]=4 7943 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [2,0,0,0,0,0|1,1,0]=4 7944 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [2,0,0,0,0,0|1,0,1]=4 7945 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [2,0,0,0,0,0|1,0,1]=4 7946 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [2,0,0,0,0,0|1,0,1]=4 7947 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [2,0,0,0,0,0|1,0,0]=3 7948 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [2,0,0,0,0,0|1,0,0]=3 7949 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [2,0,0,0,0,0|1,1,0]=4 7950 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [2,0,0,0,0,0|1,1,0]=4 7951 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [2,0,0,0,0,0|1,0,1]=4 7952 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [2,0,0,0,0,0|1,0,1]=4 7953 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [2,0,0,0,0,0|1,0,1]=4 7954 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [2,0,0,0,0,0|1,0,1]=4 7955 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [2,0,0,0,0,0|1,0,0]=3 7956 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [2,0,0,0,0,0|1,0,0]=3 7957 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [2,0,0,0,0,0|1,0,0]=3 7958 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [2,0,0,0,0,0|1,0,0]=3 7959 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [2,0,0,0,0,0|1,0,1]=4 7960 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [2,0,0,0,0,0|1,0,1]=4 7961 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [2,0,0,0,0,0|1,0,1]=4 7962 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [2,0,0,0,0,0|1,0,1]=4 7963 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [2,0,0,0,0,0|1,0,1]=4 7964 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [2,0,0,0,0,0|1,0,1]=4 7965 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [2,0,0,0,0,0|1,0,1]=4 7966 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [2,0,0,0,0,0|2,0,0]=4 7967 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [2,0,0,0,0,0|2,0,0]=4 7968 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [2,0,0,0,0,0|1,0,0]=3 7969 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [2,0,0,0,0,0|1,0,0]=3 7970 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [2,0,0,0,0,0|1,0,0]=3 7971 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [2,0,0,0,0,0|1,0,0]=3 7972 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [2,0,0,0,0,0|1,0,0]=3 7973 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [2,0,0,0,0,0|1,0,0]=3 7974 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [2,0,0,0,0,0|2,0,0]=4 7975 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [2,0,0,0,0,0|2,0,0]=4 7976 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [2,0,0,0,0,0|1,1,0]=4 7977 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [2,0,0,0,0,0|1,1,0]=4 7978 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [2,0,0,0,0,0|2,0,0]=4 7979 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [2,0,0,0,0,0|2,0,0]=4 7980 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [2,0,0,0,0,0|1,0,1]=4 7981 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [2,0,0,0,0,0|1,0,1]=4 7982 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [2,0,0,0,0,0|1,0,0]=3 7983 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [2,0,0,0,0,0|1,0,0]=3 7984 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [2,0,0,0,0,0|1,0,1]=4 7985 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [2,0,0,0,0,0|1,0,1]=4 7986 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [2,0,0,0,0,0|2,0,0]=4 7987 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [2,0,0,0,0,0|2,0,0]=4 7988 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [2,0,0,0,0,0|2,0,0]=4 7989 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [2,0,0,0,0,0|2,0,0]=4 7990 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [2,0,0,0,0,0|2,0,0]=4 7991 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [2,0,0,0,0,0|1,0,1]=4 7992 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [2,0,0,0,0,0|2,0,0]=4 7993 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [2,0,0,0,0,0|2,0,0]=4 7994 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [2,0,0,0,0,0|2,0,0]=4 7995 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [2,0,0,0,0,0|1,0,0]=3 7996 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [2,0,0,0,0,0|1,0,0]=3 7997 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [2,0,0,0,0,0|1,0,0]=3 7998 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [2,0,0,0,0,0|1,0,0]=3 7999 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [2,0,0,0,0,0|1,0,0]=3 8000 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [2,0,0,0,0,0|1,0,0]=3 8001 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [2,0,0,0,0,0|1,0,0]=3 8002 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [2,0,0,0,0,0|2,0,0]=4 8003 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [2,0,0,0,0,0|2,0,0]=4 8004 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [2,0,0,0,0,0|2,0,0]=4 8005 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [2,0,0,0,0,0|2,0,0]=4 8006 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [2,0,0,0,0,0|2,0,0]=4 8007 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [2,0,0,0,0,0|2,0,0]=4 8008 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [2,0,0,0,0,0|2,0,0]=4 8009 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [2,0,0,0,0,0|2,0,0]=4 8010 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [2,0,0,0,0,0|2,0,0]=4 8011 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [2,0,0,0,0,0|2,0,0]=4 8012 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [2,0,0,0,0,0|2,0,0]=4 8013 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [2,0,0,0,0,0|2,0,0]=4 8014 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [2,0,0,0,0,0|2,0,0]=4 8015 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [2,0,0,0,0,0|2,0,0]=4 8016 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [2,0,0,0,0,0|2,0,0]=4 8017 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [2,0,0,0,0,0|2,0,0]=4 8018 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [2,0,0,0,0,0|2,0,0]=4 8019 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [2,0,0,0,0,0|2,0,0]=4 8020 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [2,0,0,0,0,0|2,0,0]=4 8021 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [2,0,0,0,0,0|2,0,0]=4 8022 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [2,0,0,0,0,0|2,0,0]=4 8023 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [2,0,0,0,0,0|2,0,0]=4 8024 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [2,0,0,0,0,0|2,0,0]=4 8025 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [2,0,0,0,0,0|2,0,0]=4 8026 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [2,0,0,0,0,0|2,0,0]=4 8027 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [2,0,0,0,0,0|2,0,0]=4 8028 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [2,0,0,0,0,0|2,0,0]=4 8029 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [2,0,0,0,0,0|2,0,0]=4 8030 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [2,0,0,0,0,0|2,0,0]=4 8031 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [2,0,0,0,0,0|2,0,0]=4 8032 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [2,0,0,0,0,0|2,0,0]=4 8033 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [2,0,0,0,0,0|2,0,0]=4 8034 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [2,0,0,0,0,0|2,0,0]=4 8035 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [2,0,0,0,0,0|2,0,0]=4 8036 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [2,0,0,0,0,0|2,0,0]=4 8037 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [2,0,0,0,0,0|2,0,0]=4 8038 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [2,0,0,0,0,0|2,0,0]=4 8039 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [2,0,0,0,0,0|2,0,0]=4 8040 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [2,0,0,0,0,0|2,0,0]=4 8041 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [2,0,0,0,0,0|2,0,0]=4 8042 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [2,0,0,0,0,0|2,0,0]=4 8043 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [2,0,0,0,0,0|2,0,0]=4 8044 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [2,0,0,0,0,0|2,0,0]=4 8045 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [2,0,0,0,0,0|2,0,0]=4 8046 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [2,0,0,0,0,0|2,0,0]=4 8047 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [2,0,0,0,0,0|2,0,0]=4 8048 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [2,0,0,0,0,0|2,0,0]=4 8049 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [2,0,0,0,0,0|2,0,0]=4 8050 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [2,0,0,0,0,0|2,0,0]=4 8051 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [2,0,0,0,0,0|2,0,0]=4 8052 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [2,0,0,0,0,0|2,0,0]=4 8053 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [2,0,0,0,0,0|2,0,0]=4 8054 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [2,0,0,0,0,0|2,0,0]=4 8055 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [2,0,0,0,0,0|2,0,0]=4 8056 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [2,0,0,0,0,0|2,0,0]=4 8057 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [2,0,0,0,0,0|2,0,0]=4 8058 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [2,0,0,0,0,0|2,0,0]=4 8059 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [2,0,0,0,0,0|2,0,0]=4 8060 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [2,0,0,0,0,0|2,0,0]=4 8061 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [2,0,0,0,0,0|2,0,0]=4 8062 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [2,0,0,0,0,0|2,0,0]=4 8063 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [2,0,0,0,0,0|2,0,0]=4 8064 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [2,0,0,0,0,0|2,0,0]=4 8065 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [2,0,0,0,0,0|2,0,0]=4 8066 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [2,0,0,0,0,0|2,0,0]=4 8067 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [2,0,0,0,0,0|2,0,0]=4 8068 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [2,0,0,0,0,0|2,0,0]=4 8069 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [2,0,0,0,0,0|2,0,0]=4 8070 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [2,0,0,0,0,0|2,0,0]=4 8071 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [2,0,0,0,0,0|2,0,0]=4 8072 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [2,0,0,0,0,0|2,0,0]=4 8073 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [2,0,0,0,0,0|2,0,0]=4 8074 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [2,0,0,0,0,0|2,0,0]=4 8075 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [2,0,0,0,0,0|2,0,0]=4 8076 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [2,0,0,0,0,0|2,0,0]=4 8077 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [2,0,0,0,0,0|2,0,0]=4 8078 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [2,0,0,0,0,0|2,0,0]=4 8079 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [2,0,0,0,0,0|2,0,0]=4 8080 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [2,0,0,0,0,0|2,0,0]=4 8081 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [2,0,0,0,0,0|2,0,0]=4 8082 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [2,0,0,0,0,0|2,0,0]=4 8083 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [2,0,0,0,0,0|2,0,0]=4 8084 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [2,0,0,0,0,0|2,0,0]=4 8085 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [2,0,0,0,0,0|2,0,0]=4 8086 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [2,0,0,0,0,0|2,0,0]=4 8087 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [2,0,0,0,0,0|2,0,0]=4 8088 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [2,0,0,0,0,0|2,0,0]=4 8089 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [2,0,0,0,0,0|2,0,0]=4 8090 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [2,0,0,0,0,0|2,0,0]=4 8091 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [2,0,0,0,0,0|2,0,0]=4 8092 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [2,0,0,0,0,0|2,0,0]=4 8093 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [2,0,0,0,0,0|2,0,0]=4 8094 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [2,0,0,0,0,0|2,0,0]=4 8095 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [2,0,0,0,0,0|2,0,0]=4 8096 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [2,0,0,0,0,0|2,0,0]=4 8097 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [2,0,0,0,0,0|2,0,0]=4 8098 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [2,0,0,0,0,0|2,0,0]=4 8099 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [2,0,0,0,0,0|1,1,0]=4 8100 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [2,0,0,0,0,0|1,1,0]=4 8101 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [2,0,0,0,0,0|1,0,1]=4 8102 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [2,0,0,0,0,0|1,0,1]=4 8103 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [2,0,0,0,0,0|1,0,1]=4 8104 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [2,0,0,0,0,0|1,0,1]=4 8105 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 8106 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 8107 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [2,0,0,0,0,0|1,0,1]=4 8108 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [2,0,0,0,0,0|1,0,1]=4 8109 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [2,0,0,0,0,0|2,0,0]=4 8110 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [2,0,0,0,0,0|2,0,0]=4 8111 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [2,0,0,0,0,0|2,0,0]=4 8112 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [2,0,0,0,0,0|2,0,0]=4 8113 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [2,0,0,0,0,0|2,0,0]=4 8114 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [2,0,0,0,0,0|1,0,1]=4 8115 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [2,0,0,0,0,0|1,0,1]=4 8116 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 8117 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 8118 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [2,0,0,0,0,0|1,0,1]=4 8119 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [2,0,0,0,0,0|1,0,1]=4 8120 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [2,0,0,0,0,0|1,0,1]=4 8121 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [2,0,0,0,0,0|2,0,0]=4 8122 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [2,0,0,0,0,0|2,0,0]=4 8123 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [2,0,0,0,0,0|2,0,0]=4 8124 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [2,0,0,0,0,0|2,0,0]=4 8125 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [2,0,0,0,0,0|2,0,0]=4 8126 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [2,0,0,0,0,0|1,0,0]=3 8127 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [2,0,0,0,0,0|1,0,0]=3 8128 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [2,0,0,0,0,0|2,0,0]=4 8129 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [2,0,0,0,0,0|2,0,0]=4 8130 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [2,0,0,0,0,0|2,0,0]=4 8131 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [2,0,0,0,0,0|2,0,0]=4 8132 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [2,0,0,0,0,0|2,0,0]=4 8133 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 8134 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 8135 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [2,0,0,0,0,0|1,0,0]=3 8136 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [2,0,0,0,0,0|2,0,0]=4 8137 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [2,0,0,0,0,0|1,0,1]=4 8138 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [2,0,0,0,0,0|1,0,1]=4 8139 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [2,0,0,0,0,0|1,0,1]=4 8140 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 8141 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 8142 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 8143 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [2,0,0,0,0,0|2,0,0]=4 8144 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 8145 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 8146 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 8147 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 8148 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [2,0,0,0,0,0|2,0,0]=4 8149 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [2,0,0,0,0,0|2,0,0]=4 8150 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [2,0,0,0,0,0|2,0,0]=4 8151 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [2,0,0,0,0,0|2,0,0]=4 8152 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [2,0,0,0,0,0|2,0,0]=4 8153 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [2,0,0,0,0,0|2,0,0]=4 8154 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [2,0,0,0,0,0|2,0,0]=4 8155 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [2,0,0,0,0,0|1,0,0]=3 8156 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [2,0,0,0,0,0|1,0,0]=3 8157 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [2,0,0,0,0,0|2,0,0]=4 8158 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [2,0,0,0,0,0|2,0,0]=4 8159 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [2,0,0,0,0,0|2,0,0]=4 8160 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 8161 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 8162 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [2,0,0,0,0,0|2,0,0]=4 8163 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [2,0,0,0,0,0|2,0,0]=4 8164 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [2,0,0,0,0,0|2,0,0]=4 8165 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [2,0,0,0,0,0|1,0,0]=3 8166 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [2,0,0,0,0,0|1,0,0]=3 8167 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [2,0,0,0,0,0|2,0,0]=4 8168 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [2,0,0,0,0,0|2,0,0]=4 8169 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [2,0,0,0,0,0|2,0,0]=4 8170 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 8171 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 8172 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [2,0,0,0,0,0|2,0,0]=4 8173 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [2,0,0,0,0,0|2,0,0]=4 8174 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [2,0,0,0,0,0|2,0,0]=4 8175 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [2,0,0,0,0,0|1,0,0]=3 8176 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [2,0,0,0,0,0|1,0,0]=3 8177 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [2,0,0,0,0,0|2,0,0]=4 8178 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [2,0,0,0,0,0|2,0,0]=4 8179 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [2,0,0,0,0,0|1,0,0]=3 8180 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [2,0,0,0,0,0|2,0,0]=4 8181 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [2,0,0,0,0,0|2,0,0]=4 8182 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [2,0,0,0,0,0|1,0,0]=3 8183 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [2,0,0,0,0,0|1,0,0]=3 8184 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [2,0,0,0,0,0|2,0,0]=4 8185 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [2,0,0,0,0,0|2,0,0]=4 8186 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [2,0,0,0,0,0|1,0,0]=3 8187 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [2,0,0,0,0,0|1,0,0]=3 8188 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [2,0,0,0,0,0|1,0,0]=3 8189 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [2,0,0,0,0,0|1,0,0]=3 8190 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [2,0,0,0,0,0|1,0,0]=3 8191 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [2,0,0,0,0,0|1,0,0]=3 8192 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [2,0,0,0,0,0|1,0,0]=3 8193 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [2,0,0,0,0,0|1,0,0]=3 8194 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [2,0,0,0,0,0|1,0,0]=3 8195 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [2,0,0,0,0,0|2,0,0]=4 8196 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [2,0,0,0,0,0|1,0,0]=3 8197 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [2,0,0,0,0,0|1,0,0]=3 8198 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [2,0,0,0,0,0|2,0,0]=4 8199 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [2,0,0,0,0,0|2,0,0]=4 8200 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [2,0,0,0,0,0|2,0,0]=4 8201 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [2,0,0,0,0,0|2,0,0]=4 8202 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [2,0,0,0,0,0|2,0,0]=4 8203 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [2,0,0,0,0,0|2,0,0]=4 8204 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [2,0,0,0,0,0|2,0,0]=4 8205 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [2,0,0,0,0,0|2,0,0]=4 8206 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [2,0,0,0,0,0|2,0,0]=4 8207 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [2,0,0,0,0,0|2,0,0]=4 8208 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [2,0,0,0,0,0|2,0,0]=4 8209 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [2,0,0,0,0,0|2,0,0]=4 8210 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [2,0,0,0,0,0|2,0,0]=4 8211 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [2,0,0,0,0,0|2,0,0]=4 8212 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [2,0,0,0,0,0|2,0,0]=4 8213 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 8214 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [2,0,0,0,0,0|2,0,0]=4 8215 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [2,0,0,0,0,0|2,0,0]=4 8216 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [2,0,0,0,0,0|2,0,0]=4 8217 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [2,0,0,0,0,0|2,0,0]=4 8218 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [2,0,0,0,0,0|2,0,0]=4 8219 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [2,0,0,0,0,0|2,0,0]=4 8220 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [2,0,0,0,0,0|2,0,0]=4 8221 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [2,0,0,0,0,0|2,0,0]=4 8222 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [2,0,0,0,0,0|2,0,0]=4 8223 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [2,0,0,0,0,0|2,0,0]=4 8224 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [2,0,0,0,0,0|2,0,0]=4 8225 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [2,0,0,0,0,0|2,0,0]=4 8226 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [2,0,0,0,0,0|2,0,0]=4 8227 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [2,0,0,0,0,0|2,0,0]=4 8228 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [2,0,0,0,0,0|2,0,0]=4 8229 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [2,0,0,0,0,0|2,0,0]=4 8230 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [2,0,0,0,0,0|2,0,0]=4 8231 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [2,0,0,0,0,0|2,0,0]=4 8232 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [2,0,0,0,0,0|2,0,0]=4 8233 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [2,0,0,0,0,0|2,0,0]=4 8234 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [2,0,0,0,0,0|2,0,0]=4 8235 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [2,0,0,0,0,0|2,0,0]=4 8236 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [2,0,0,0,0,0|2,0,0]=4 8237 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [2,0,0,0,0,0|2,0,0]=4 8238 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [2,0,0,0,0,0|2,0,0]=4 8239 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [2,0,0,0,0,0|2,0,0]=4 8240 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [2,0,0,0,0,0|2,0,0]=4 8241 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [2,0,0,0,0,0|2,0,0]=4 8242 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [2,0,0,0,0,0|2,0,0]=4 8243 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [2,0,0,0,0,0|1,0,0]=3 8244 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [2,0,0,0,0,0|1,0,0]=3 8245 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [2,0,0,0,0,0|2,0,0]=4 8246 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [2,0,0,0,0,0|2,0,0]=4 8247 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [2,0,0,0,0,0|2,0,0]=4 8248 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [2,0,0,0,0,0|0,0,2]=4 8249 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [2,0,0,0,0,0|0,0,2]=4 8250 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [2,0,0,0,0,0|0,0,2]=4 8251 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [2,0,0,0,0,0|0,0,2]=4 8252 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [2,0,0,0,0,0|0,0,2]=4 8253 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [2,0,0,0,0,0|0,0,2]=4 8254 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [2,0,0,0,0,0|1,0,1]=4 8255 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [2,0,0,0,0,0|1,0,0]=3 8256 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [2,0,0,0,0,0|1,0,0]=3 8257 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [2,0,0,0,0,0|1,0,0]=3 8258 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [2,0,0,0,0,0|1,0,0]=3 8259 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [2,0,0,0,0,0|2,0,0]=4 8260 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [2,0,0,0,0,0|2,0,0]=4 8261 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [2,0,0,0,0,0|2,0,0]=4 8262 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [2,0,0,0,0,0|2,0,0]=4 8263 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [2,0,0,0,0,0|2,0,0]=4 8264 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [2,0,0,0,0,0|2,0,0]=4 8265 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [2,0,0,0,0,0|2,0,0]=4 8266 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [2,0,0,0,0,0|2,0,0]=4 8267 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [2,0,0,0,0,0|2,0,0]=4 8268 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [2,0,0,0,0,0|2,0,0]=4 8269 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [2,0,0,0,0,0|2,0,0]=4 8270 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [2,0,0,0,0,0|2,0,0]=4 8271 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [2,0,0,0,0,0|2,0,0]=4 8272 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [2,0,0,0,0,0|2,0,0]=4 8273 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [2,0,0,0,0,0|2,0,0]=4 8274 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [2,0,0,0,0,0|0,0,2]=4 8275 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [2,0,0,0,0,0|0,0,2]=4 8276 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [2,0,0,0,0,0|0,0,2]=4 8277 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [2,0,0,0,0,0|0,0,0]=2 8278 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [2,0,0,0,0,0|0,0,0]=2 8279 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [2,0,0,0,0,0|1,0,0]=3 8280 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [2,0,0,0,0,0|1,0,0]=3 8281 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [2,0,0,0,0,0|1,0,0]=3 8282 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [2,0,0,0,0,0|1,0,0]=3 8283 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [2,0,0,0,0,0|1,0,0]=3 8284 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [2,0,0,0,0,0|1,0,0]=3 8285 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [2,0,0,0,0,0|1,0,1]=4 8286 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [2,0,0,0,0,0|1,0,1]=4 8287 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [2,0,0,0,0,0|1,0,1]=4 8288 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [2,0,0,0,0,0|1,0,1]=4 8289 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [2,0,0,0,0,0|1,0,1]=4 8290 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [2,0,0,0,0,0|2,0,0]=4 8291 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [2,0,0,0,0,0|2,0,0]=4 8292 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [2,0,0,0,0,0|2,0,0]=4 8293 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [2,0,0,0,0,0|2,0,0]=4 8294 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [2,0,0,0,0,0|2,0,0]=4 8295 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [2,0,0,0,0,0|2,0,0]=4 8296 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [2,0,0,0,0,0|2,0,0]=4 8297 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [2,0,0,0,0,0|2,0,0]=4 8298 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 8299 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 8300 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 8301 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [2,0,0,0,0,0|1,0,0]=3 8302 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [2,0,0,0,0,0|2,0,0]=4 8303 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [2,0,0,0,0,0|2,0,0]=4 8304 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [2,0,0,0,0,0|2,0,0]=4 8305 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [2,0,0,0,0,0|2,0,0]=4 8306 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [2,0,0,0,0,0|2,0,0]=4 8307 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [2,0,0,0,0,0|2,0,0]=4 8308 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [2,0,0,0,0,0|2,0,0]=4 8309 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [2,0,0,0,0,0|2,0,0]=4 8310 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [2,0,0,0,0,0|2,0,0]=4 8311 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [2,0,0,0,0,0|2,0,0]=4 8312 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [2,0,0,0,0,0|1,0,0]=3 8313 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [2,0,0,0,0,0|2,0,0]=4 8314 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [2,0,0,0,0,0|1,0,0]=3 8315 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [2,0,0,0,0,0|1,0,0]=3 8316 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [2,0,0,0,0,0|2,0,0]=4 8317 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [2,0,0,0,0,0|2,0,0]=4 8318 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [2,0,0,0,0,0|2,0,0]=4 8319 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [2,0,0,0,0,0|1,0,0]=3 8320 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [2,0,0,0,0,0|1,0,0]=3 8321 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [2,0,0,0,0,0|1,0,0]=3 8322 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [2,0,0,0,0,0|1,0,0]=3 8323 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [2,0,0,0,0,0|2,0,0]=4 8324 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [2,0,0,0,0,0|2,0,0]=4 8325 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [2,0,0,0,0,0|1,0,0]=3 8326 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [2,0,0,0,0,0|1,0,0]=3 8327 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [2,0,0,0,0,0|2,0,0]=4 8328 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [2,0,0,0,0,0|2,0,0]=4 8329 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [2,0,0,0,0,0|2,0,0]=4 8330 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [2,0,0,0,0,0|2,0,0]=4 8331 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [2,0,0,0,0,0|1,0,0]=3 8332 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [2,0,0,0,0,0|1,0,0]=3 8333 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [2,0,0,0,0,0|1,0,0]=3 8334 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [2,0,0,0,0,0|2,0,0]=4 8335 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [2,0,0,0,0,0|2,0,0]=4 8336 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [2,0,0,0,0,0|2,0,0]=4 8337 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [2,0,0,0,0,0|2,0,0]=4 8338 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [2,0,0,0,0,0|1,0,0]=3 8339 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [2,0,0,0,0,0|1,0,0]=3 8340 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [2,0,0,0,0,0|2,0,0]=4 8341 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [2,0,0,0,0,0|2,0,0]=4 8342 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [2,0,0,0,0,0|1,0,0]=3 8343 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [2,0,0,0,0,0|1,0,0]=3 8344 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [2,0,0,0,0,0|2,0,0]=4 8345 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [2,0,0,0,0,0|2,0,0]=4 8346 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [2,0,0,0,0,0|2,0,0]=4 8347 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [2,0,0,0,0,0|2,0,0]=4 8348 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [2,0,0,0,0,0|2,0,0]=4 8349 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [2,0,0,0,0,0|1,0,0]=3 8350 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 8351 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 8352 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [2,0,0,0,0,0|2,0,0]=4 8353 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [2,0,0,0,0,0|2,0,0]=4 8354 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [2,0,0,0,0,0|2,0,0]=4 8355 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [2,0,0,0,0,0|2,0,0]=4 8356 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [2,0,0,0,0,0|2,0,0]=4 8357 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [2,0,0,0,0,0|2,0,0]=4 8358 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [2,0,0,0,0,0|2,0,0]=4 8359 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [2,0,0,0,0,0|2,0,0]=4 8360 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [2,0,0,0,0,0|1,0,0]=3 8361 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [2,0,0,0,0,0|1,0,0]=3 8362 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 8363 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 8364 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [2,0,0,0,0,0|2,0,0]=4 8365 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [2,0,0,0,0,0|1,0,0]=3 8366 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [2,0,0,0,0,0|2,0,0]=4 8367 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [2,0,0,0,0,0|1,0,0]=3 8368 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [2,0,0,0,0,0|1,0,0]=3 8369 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [2,0,0,0,0,0|1,0,0]=3 8370 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 8371 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 8372 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 8373 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [2,0,0,0,0,0|2,0,0]=4 8374 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [2,0,0,0,0,0|2,0,0]=4 8375 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [2,0,0,0,0,0|2,0,0]=4 8376 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [2,0,0,0,0,0|2,0,0]=4 8377 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [2,0,0,0,0,0|2,0,0]=4 8378 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [2,0,0,0,0,0|2,0,0]=4 8379 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [2,0,0,0,0,0|2,0,0]=4 8380 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [2,0,0,0,0,0|2,0,0]=4 8381 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [2,0,0,0,0,0|2,0,0]=4 8382 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [2,0,0,0,0,0|2,0,0]=4 8383 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [2,0,0,0,0,0|2,0,0]=4 8384 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [2,0,0,0,0,0|2,0,0]=4 8385 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [2,0,0,0,0,0|2,0,0]=4 8386 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [2,0,0,0,0,0|2,0,0]=4 8387 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [2,0,0,0,0,0|1,0,0]=3 8388 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [2,0,0,0,0,0|1,0,0]=3 8389 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [2,0,0,0,0,0|2,0,0]=4 8390 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [2,0,0,0,0,0|2,0,0]=4 8391 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [2,0,0,0,0,0|2,0,0]=4 8392 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [2,0,0,0,0,0|2,0,0]=4 8393 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [2,0,0,0,0,0|2,0,0]=4 8394 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [2,0,0,0,0,0|2,0,0]=4 8395 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [2,0,0,0,0,0|2,0,0]=4 8396 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [2,0,0,0,0,0|2,0,0]=4 8397 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [2,0,0,0,0,0|2,0,0]=4 8398 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [2,0,0,0,0,0|2,0,0]=4 8399 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [2,0,0,0,0,0|2,0,0]=4 8400 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [2,0,0,0,0,0|2,0,0]=4 8401 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [2,0,0,0,0,0|2,0,0]=4 8402 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [2,0,0,0,0,0|2,0,0]=4 8403 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [2,0,0,0,0,0|2,0,0]=4 8404 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [2,0,0,0,0,0|2,0,0]=4 8405 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [2,0,0,0,0,0|1,0,0]=3 8406 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [2,0,0,0,0,0|1,0,0]=3 8407 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [2,0,0,0,0,0|1,0,0]=3 8408 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [2,0,0,0,0,0|2,0,0]=4 8409 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [2,0,0,0,0,0|1,0,0]=3 8410 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [2,0,0,0,0,0|1,0,0]=3 8411 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [2,0,0,0,0,0|1,0,0]=3 8412 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [2,0,0,0,0,0|1,0,0]=3 8413 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [2,0,0,0,0,0|1,0,0]=3 8414 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [2,0,0,0,0,0|1,0,0]=3 8415 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [2,0,0,0,0,0|2,0,0]=4 8416 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [2,0,0,0,0,0|2,0,0]=4 8417 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [2,0,0,0,0,0|2,0,0]=4 8418 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [2,0,0,0,0,0|2,0,0]=4 8419 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [2,0,0,0,0,0|2,0,0]=4 8420 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [2,0,0,0,0,0|2,0,0]=4 8421 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [2,0,0,0,0,0|2,0,0]=4 8422 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [2,0,0,0,0,0|2,0,0]=4 8423 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [2,0,0,0,0,0|2,0,0]=4 8424 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [2,0,0,0,0,0|2,0,0]=4 8425 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [2,0,0,0,0,0|2,0,0]=4 8426 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [2,0,0,0,0,0|2,0,0]=4 8427 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [2,0,0,0,0,0|2,0,0]=4 8428 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [2,0,0,0,0,0|2,0,0]=4 8429 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [2,0,0,0,0,0|2,0,0]=4 8430 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [2,0,0,0,0,0|2,0,0]=4 8431 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [2,0,0,0,0,0|2,0,0]=4 8432 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [2,0,0,0,0,0|2,0,0]=4 8433 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [2,0,0,0,0,0|2,0,0]=4 8434 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [2,0,0,0,0,0|2,0,0]=4 8435 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [2,0,0,0,0,0|2,0,0]=4 8436 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [2,0,0,0,0,0|2,0,0]=4 8437 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [2,0,0,0,0,0|2,0,0]=4 8438 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [2,0,0,0,0,0|2,0,0]=4 8439 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [2,0,0,0,0,0|2,0,0]=4 8440 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [2,0,0,0,0,0|2,0,0]=4 8441 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [2,0,0,0,0,0|2,0,0]=4 8442 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [2,0,0,0,0,0|2,0,0]=4 8443 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [2,0,0,0,0,0|2,0,0]=4 8444 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [2,0,0,0,0,0|2,0,0]=4 8445 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [2,0,0,0,0,0|2,0,0]=4 8446 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [2,0,0,0,0,0|2,0,0]=4 8447 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [2,0,0,0,0,0|2,0,0]=4 8448 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [2,0,0,0,0,0|2,0,0]=4 8449 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [2,0,0,0,0,0|2,0,0]=4 8450 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [2,0,0,0,0,0|2,0,0]=4 8451 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [2,0,0,0,0,0|2,0,0]=4 8452 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [2,0,0,0,0,0|2,0,0]=4 8453 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [2,0,0,0,0,0|2,0,0]=4 8454 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [2,0,0,0,0,0|2,0,0]=4 8455 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [2,0,0,0,0,0|2,0,0]=4 8456 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [2,0,0,0,0,0|2,0,0]=4 8457 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [2,0,0,0,0,0|2,0,0]=4 8458 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [2,0,0,0,0,0|2,0,0]=4 8459 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [2,0,0,0,0,0|2,0,0]=4 8460 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [2,0,0,0,0,0|2,0,0]=4 8461 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [2,0,0,0,0,0|2,0,0]=4 8462 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [2,0,0,0,0,0|1,0,0]=3 8463 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [2,0,0,0,0,0|1,0,0]=3 8464 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [2,0,0,0,0,0|1,0,0]=3 8465 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [2,0,0,0,0,0|2,0,0]=4 8466 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [2,0,0,0,0,0|2,0,0]=4 8467 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [2,0,0,0,0,0|2,0,0]=4 8468 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [2,0,0,0,0,0|2,0,0]=4 8469 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [2,0,0,0,0,0|2,0,0]=4 8470 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [2,0,0,0,0,0|2,0,0]=4 8471 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [2,0,0,0,0,0|2,0,0]=4 8472 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [2,0,0,0,0,0|2,0,0]=4 8473 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [2,0,0,0,0,0|2,0,0]=4 8474 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [2,0,0,0,0,0|2,0,0]=4 8475 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [2,0,0,0,0,0|2,0,0]=4 8476 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [2,0,0,0,0,0|2,0,0]=4 8477 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [2,0,0,0,0,0|2,0,0]=4 8478 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [2,0,0,0,0,0|0,0,2]=4 8479 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [2,0,0,0,0,0|0,0,2]=4 8480 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [2,0,0,0,0,0|0,0,2]=4 8481 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [2,0,0,0,0,0|2,0,0]=4 8482 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [2,0,0,0,0,0|2,0,0]=4 8483 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [2,0,0,0,0,0|2,0,0]=4 8484 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [2,0,0,0,0,0|2,0,0]=4 8485 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [2,0,0,0,0,0|2,0,0]=4 8486 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [2,0,0,0,0,0|2,0,0]=4 8487 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [2,0,0,0,0,0|2,0,0]=4 8488 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [2,0,0,0,0,0|2,0,0]=4 8489 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [2,0,0,0,0,0|2,0,0]=4 8490 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [2,0,0,0,0,0|2,0,0]=4 8491 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [2,0,0,0,0,0|2,0,0]=4 8492 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [2,0,0,0,0,0|2,0,0]=4 8493 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [2,0,0,0,0,0|0,0,2]=4 8494 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [2,0,0,0,0,0|0,0,2]=4 8495 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [2,0,0,0,0,0|0,0,2]=4 8496 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [2,0,0,0,0,0|1,0,1]=4 8497 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|1,0,0]=3 8498 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|1,0,0]=3 8499 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [2,0,0,0,0,0|2,0,0]=4 8500 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [2,0,0,0,0,0|2,0,0]=4 8501 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [2,0,0,0,0,0|2,0,0]=4 8502 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [2,0,0,0,0,0|2,0,0]=4 8503 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [2,0,0,0,0,0|2,0,0]=4 8504 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [2,0,0,0,0,0|2,0,0]=4 8505 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [2,0,0,0,0,0|2,0,0]=4 8506 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [2,0,0,0,0,0|2,0,0]=4 8507 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [2,0,0,0,0,0|2,0,0]=4 8508 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [2,0,0,0,0,0|2,0,0]=4 8509 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [2,0,0,0,0,0|2,0,0]=4 8510 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [2,0,0,0,0,0|2,0,0]=4 8511 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [2,0,0,0,0,0|2,0,0]=4 8512 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [2,0,0,0,0,0|2,0,0]=4 8513 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [2,0,0,0,0,0|2,0,0]=4 8514 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [2,0,0,0,0,0|2,0,0]=4 8515 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [2,0,0,0,0,0|2,0,0]=4 8516 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [2,0,0,0,0,0|2,0,0]=4 8517 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [2,0,0,0,0,0|2,0,0]=4 8518 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [2,0,0,0,0,0|2,0,0]=4 8519 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [2,0,0,0,0,0|2,0,0]=4 8520 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [2,0,0,0,0,0|2,0,0]=4 8521 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [2,0,0,0,0,0|2,0,0]=4 8522 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [2,0,0,0,0,0|2,0,0]=4 8523 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [2,0,0,0,0,0|2,0,0]=4 8524 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [2,0,0,0,0,0|2,0,0]=4 8525 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [2,0,0,0,0,0|2,0,0]=4 8526 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [2,0,0,0,0,0|2,0,0]=4 8527 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [2,0,0,0,0,0|2,0,0]=4 8528 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [2,0,0,0,0,0|2,0,0]=4 8529 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [2,0,0,0,0,0|2,0,0]=4 8530 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [2,0,0,0,0,0|2,0,0]=4 8531 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [2,0,0,0,0,0|2,0,0]=4 8532 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [2,0,0,0,0,0|2,0,0]=4 8533 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [2,0,0,0,0,0|2,0,0]=4 8534 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [2,0,0,0,0,0|2,0,0]=4 8535 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [2,0,0,0,0,0|2,0,0]=4 8536 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [2,0,0,0,0,0|2,0,0]=4 8537 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [2,0,0,0,0,0|2,0,0]=4 8538 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [2,0,0,0,0,0|0,0,2]=4 8539 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [2,0,0,0,0,0|0,0,2]=4 8540 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [2,0,0,0,0,0|0,0,2]=4 8541 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [2,0,0,0,0,0|0,0,2]=4 8542 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [2,0,0,0,0,0|0,0,2]=4 8543 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|0,0,0]=2 8544 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|0,0,0]=2 8545 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|0,0,0]=2 8546 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [2,0,0,0,0,0|2,0,0]=4 8547 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [2,0,0,0,0,0|2,0,0]=4 8548 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [2,0,0,0,0,0|2,0,0]=4 8549 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [2,0,0,0,0,0|2,0,0]=4 8550 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [2,0,0,0,0,0|2,0,0]=4 8551 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [2,0,0,0,0,0|2,0,0]=4 8552 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|1,0,0]=3 8553 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|1,0,0]=3 8554 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|1,0,0]=3 8555 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|1,0,0]=3 8556 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 8557 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 8558 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 8559 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|1,0,0]=3 8560 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 8561 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 8562 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 8563 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 8564 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 8565 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 8566 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 8567 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 8568 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 8569 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|1,0,0]=3 8570 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|1,0,0]=3 8571 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|1,0,0]=3 8572 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 8573 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 8574 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 8575 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 8576 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [2,0,0,0,0,0|2,0,0]=4 8577 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|1,0,0]=3 8578 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|1,0,0]=3 8579 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 8580 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 8581 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [2,0,0,0,0,0|2,0,0]=4 8582 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [2,0,0,0,0,0|2,0,0]=4 8583 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|1,0,0]=3 8584 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 8585 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 8586 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [2,0,0,0,0,0|2,0,0]=4 8587 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [2,0,0,0,0,0|2,0,0]=4 8588 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [2,0,0,0,0,0|2,0,0]=4 8589 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [2,0,0,0,0,0|2,0,0]=4 8590 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [2,0,0,0,0,0|2,0,0]=4 8591 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|1,0,0]=3 8592 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|1,0,0]=3 8593 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|1,0,0]=3 8594 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|1,0,0]=3 8595 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 8596 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 8597 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [2,0,0,0,0,0|2,0,0]=4 8598 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [2,0,0,0,0,0|2,0,0]=4 8599 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [2,0,0,0,0,0|2,0,0]=4 8600 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [2,0,0,0,0,0|2,0,0]=4 8601 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 8602 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [2,0,0,0,0,0|2,0,0]=4 8603 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|1,0,0]=3 8604 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|1,0,0]=3 8605 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 8606 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 8607 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [2,0,0,0,0,0|2,0,0]=4 8608 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [2,0,0,0,0,0|2,0,0]=4 8609 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [2,0,0,0,0,0|2,0,0]=4 8610 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [2,0,0,0,0,0|2,0,0]=4 8611 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [2,0,0,0,0,0|2,0,0]=4 8612 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [2,0,0,0,0,0|2,0,0]=4 8613 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [2,0,0,0,0,0|2,0,0]=4 8614 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [2,0,0,0,0,0|2,0,0]=4 8615 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 8616 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [2,0,0,0,0,0|2,0,0]=4 8617 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 8618 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|1,0,0]=3 8619 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 8620 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 8621 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [2,0,0,0,0,0|2,0,0]=4 8622 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [2,0,0,0,0,0|2,0,0]=4 8623 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [2,0,0,0,0,0|2,0,0]=4 8624 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [2,0,0,0,0,0|2,0,0]=4 8625 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [2,0,0,0,0,0|2,0,0]=4 8626 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [2,0,0,0,0,0|2,0,0]=4 8627 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 8628 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [2,0,0,0,0,0|2,0,0]=4 8629 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|1,0,0]=3 8630 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|1,0,0]=3 8631 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [2,0,0,0,0,0|2,0,0]=4 8632 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [2,0,0,0,0,0|2,0,0]=4 8633 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [2,0,0,0,0,0|2,0,0]=4 8634 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [2,0,0,0,0,0|2,0,0]=4 8635 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 8636 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [2,0,0,0,0,0|2,0,0]=4 8637 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [2,0,0,0,0,0|2,0,0]=4 8638 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [2,0,0,0,0,0|2,0,0]=4 8639 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 8640 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 8641 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 8642 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 8643 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [2,0,0,0,0,0|2,0,0]=4 8644 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [2,0,0,0,0,0|2,0,0]=4 8645 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [2,0,0,0,0,0|2,0,0]=4 8646 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [2,0,0,0,0,0|2,0,0]=4 8647 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 8648 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [2,0,0,0,0,0|2,0,0]=4 8649 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [2,0,0,0,0,0|2,0,0]=4 8650 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [2,0,0,0,0,0|2,0,0]=4 8651 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [2,0,0,0,0,0|2,0,0]=4 8652 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [2,0,0,0,0,0|2,0,0]=4 8653 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [2,0,0,0,0,0|2,0,0]=4 8654 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [2,0,0,0,0,0|2,0,0]=4 8655 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [2,0,0,0,0,0|2,0,0]=4 8656 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [2,0,0,0,0,0|2,0,0]=4 8657 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 8658 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 8659 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [2,0,0,0,0,0|2,0,0]=4 8660 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [2,0,0,0,0,0|2,0,0]=4 8661 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [2,0,0,0,0,0|2,0,0]=4 8662 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [2,0,0,0,0,0|2,0,0]=4 8663 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [2,0,0,0,0,0|2,0,0]=4 8664 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [2,0,0,0,0,0|2,0,0]=4 8665 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [2,0,0,0,0,0|2,0,0]=4 8666 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [2,0,0,0,0,0|2,0,0]=4 8667 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [2,0,0,0,0,0|2,0,0]=4 8668 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [2,0,0,0,0,0|2,0,0]=4 8669 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [2,0,0,0,0,0|2,0,0]=4 8670 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [2,0,0,0,0,0|2,0,0]=4 8671 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [2,0,0,0,0,0|2,0,0]=4 8672 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [2,0,0,0,0,0|2,0,0]=4 8673 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|1,0,0]=3 8674 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [2,0,0,0,0,0|2,0,0]=4 8675 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [2,0,0,0,0,0|2,0,0]=4 8676 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [2,0,0,0,0,0|2,0,0]=4 8677 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [2,0,0,0,0,0|2,0,0]=4 8678 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [2,0,0,0,0,0|2,0,0]=4 8679 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 8680 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [2,0,0,0,0,0|2,0,0]=4 8681 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [2,0,0,0,0,0|2,0,0]=4 8682 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [2,0,0,0,0,0|2,0,0]=4 8683 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [2,0,0,0,0,0|2,0,0]=4 8684 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [2,0,0,0,0,0|2,0,0]=4 8685 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [2,0,0,0,0,0|2,0,0]=4 8686 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [2,0,0,0,0,0|2,0,0]=4 8687 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [2,0,0,0,0,0|2,0,0]=4 8688 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [2,0,0,0,0,0|2,0,0]=4 8689 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [2,0,0,0,0,0|2,0,0]=4 8690 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [2,0,0,0,0,0|2,0,0]=4 8691 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [2,0,0,0,0,0|2,0,0]=4 8692 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [2,0,0,0,0,0|2,0,0]=4 8693 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [2,0,0,0,0,0|2,0,0]=4 8694 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [2,0,0,0,0,0|2,0,0]=4 8695 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [2,0,0,0,0,0|2,0,0]=4 8696 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [2,0,0,0,0,0|2,0,0]=4 8697 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [2,0,0,0,0,0|2,0,0]=4 8698 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [2,0,0,0,0,0|2,0,0]=4 8699 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [2,0,0,0,0,0|2,0,0]=4 8700 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [2,0,0,0,0,0|2,0,0]=4 8701 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [2,0,0,0,0,0|2,0,0]=4 8702 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [2,0,0,0,0,0|2,0,0]=4 8703 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [2,0,0,0,0,0|2,0,0]=4 8704 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 8705 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 8706 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|1,0,0]=3 8707 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,1,0,0,0,0|0,0,2]=4 8708 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,1,0,0,0,0|0,0,2]=4 8709 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [1,1,0,0,0,0|0,0,2]=4 8710 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [1,1,0,0,0,0|0,0,2]=4 8711 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [1,1,0,0,0,0|0,0,2]=4 8712 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,1,0,0,0,0|0,0,2]=4 8713 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,1,0,0,0,0|0,0,2]=4 8714 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,1,0,0,0,0|0,0,2]=4 8715 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [1,1,0,0,0,0|0,0,2]=4 8716 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [1,1,0,0,0,0|0,0,2]=4 8717 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [1,1,0,0,0,0|0,0,2]=4 8718 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [1,1,0,0,0,0|1,0,0]=3 8719 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [1,1,0,0,0,0|1,0,0]=3 8720 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [1,1,0,0,0,0|2,0,0]=4 8721 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [1,1,0,0,0,0|2,0,0]=4 8722 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [1,1,0,0,0,0|2,0,0]=4 8723 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [1,1,0,0,0,0|2,0,0]=4 8724 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [1,1,0,0,0,0|2,0,0]=4 8725 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [1,1,0,0,0,0|2,0,0]=4 8726 B12R0.5 CC/C=C/CCCOCCOCC 34a_100016287902_100000210147 [1,1,0,0,0,0|2,0,0]=4 8727 B12R0.5 CC/C=C/CCCOCCOCC 7a_100016287902_100011215890 [1,1,0,0,0,0|2,0,0]=4 8728 B12R0.5 CC/C=C/CCCOCCSCC 34a_100016287902_100000757381 [1,1,0,0,0,0|2,0,0]=4 8729 B12R0.5 CC/C=C/CCCOCCSCC 7a_100016287902_100000757381 [1,1,0,0,0,0|2,0,0]=4 8730 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [1,1,0,0,0,0|1,0,0]=3 8731 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [1,1,0,0,0,0|1,0,0]=3 8732 B12R0.5 CC/C=C\CCCCCNCCF 269862a_100000724931_100016288537 [1,1,0,0,0,0|2,0,0]=4 8733 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [1,1,0,0,0,0|2,0,0]=4 8734 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [1,1,0,0,0,0|1,0,0]=3 8735 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [1,1,0,0,0,0|1,0,0]=3 8736 B12R0.5 CC/C=C\CCCCCOCCF 34a_100016268722_100011217306 [1,1,0,0,0,0|2,0,0]=4 8737 B12R0.5 CC/C=C\CCCCCOCCF 7a_100016268722_100011217306 [1,1,0,0,0,0|2,0,0]=4 8738 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [1,1,0,0,0,0|2,0,0]=4 8739 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [1,1,0,0,0,0|2,0,0]=4 8740 B12R0.5 CC/C=C\CCCCCOCSC 34a_100016268722_100011218213 [1,1,0,0,0,0|2,0,0]=4 8741 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [1,1,0,0,0,0|1,0,0]=3 8742 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [1,1,0,0,0,0|1,0,0]=3 8743 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [1,1,0,0,0,0|2,0,0]=4 8744 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [1,1,0,0,0,0|2,0,0]=4 8745 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [1,1,0,0,0,0|2,0,0]=4 8746 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [1,1,0,0,0,0|2,0,0]=4 8747 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [1,1,0,0,0,0|2,0,0]=4 8748 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [1,1,0,0,0,0|2,0,0]=4 8749 B12R0.5 CC/C=C\CCCCOCCSC 34a_100016287862_100000212216 [1,1,0,0,0,0|2,0,0]=4 8750 B12R0.5 CC/C=C\CCCCOCCSC 7a_100016287862_100000212216 [1,1,0,0,0,0|2,0,0]=4 8751 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [1,1,0,0,0,0|1,0,0]=3 8752 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [1,1,0,0,0,0|2,0,0]=4 8753 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [1,1,0,0,0,0|2,0,0]=4 8754 B12R0.5 CC/C=C\CCNCCCOCC 2230a_100000210961_100015370543 [1,1,0,0,0,0|2,0,0]=4 8755 B12R0.5 CC/C=C\CCNCCCOCC 34a_100000210961_100015370543 [1,1,0,0,0,0|2,0,0]=4 8756 B12R0.5 CC/C=C\CCNCCOCCC 2230a_100161115042_100015370543 [1,1,0,0,0,0|2,0,0]=4 8757 B12R0.5 CC/C=C\CCNCCOCCC 34a_100161115042_100015370543 [1,1,0,0,0,0|2,0,0]=4 8758 B12R0.5 CC/C=C\CCNCCSCCC 2230a_100020603323_100015370543 [1,1,0,0,0,0|2,0,0]=4 8759 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [1,1,0,0,0,0|2,0,0]=4 8760 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [1,1,0,0,0,0|2,0,0]=4 8761 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,1,0,0,0,0|1,0,0]=3 8762 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,1,0,0,0,0|1,0,0]=3 8763 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,1,0,0,0,0|1,0,0]=3 8764 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,1,0,0,0,0|1,0,0]=3 8765 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [1,1,0,0,0,0|2,0,0]=4 8766 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [1,1,0,0,0,0|2,0,0]=4 8767 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [1,1,0,0,0,0|2,0,0]=4 8768 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [1,1,0,0,0,0|2,0,0]=4 8769 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [1,1,0,0,0,0|2,0,0]=4 8770 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [1,1,0,0,0,0|2,0,0]=4 8771 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [1,1,0,0,0,0|2,0,0]=4 8772 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [1,1,0,0,0,0|2,0,0]=4 8773 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [1,1,0,0,0,0|2,0,0]=4 8774 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [1,1,0,0,0,0|2,0,0]=4 8775 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [1,1,0,0,0,0|2,0,0]=4 8776 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [1,1,0,0,0,0|2,0,0]=4 8777 B12R0.5 CC/C=C\CCOCCCCSC 34a_100011217163_100015370543 [1,1,0,0,0,0|2,0,0]=4 8778 B12R0.5 CC/C=C\CCOCCCCSC 7a_100011217163_100015370543 [1,1,0,0,0,0|2,0,0]=4 8779 B12R0.5 CC/C=C\CCOCCCOCC 34a_100000757476_100015370543 [1,1,0,0,0,0|2,0,0]=4 8780 B12R0.5 CC/C=C\CCOCCCOCC 34a_100016288707_100012232248 [1,1,0,0,0,0|2,0,0]=4 8781 B12R0.5 CC/C=C\CCOCCCOCC 7a_100000757476_100015370543 [1,1,0,0,0,0|2,0,0]=4 8782 B12R0.5 CC/C=C\CCOCCCOCC 7a_100016288707_100012232248 [1,1,0,0,0,0|2,0,0]=4 8783 B12R0.5 CC/C=C\CCOCCCSCC 34a_100011216438_100015370543 [1,1,0,0,0,0|2,0,0]=4 8784 B12R0.5 CC/C=C\CCOCCCSCC 7a_100011216438_100015370543 [1,1,0,0,0,0|2,0,0]=4 8785 B12R0.5 CC/C=C\CCOCCOCCC 34a_100000752267_100015370543 [1,1,0,0,0,0|2,0,0]=4 8786 B12R0.5 CC/C=C\CCOCCOCCC 34a_100016288707_100011215938 [1,1,0,0,0,0|2,0,0]=4 8787 B12R0.5 CC/C=C\CCOCCOCCC 7a_100000752267_100015370543 [1,1,0,0,0,0|2,0,0]=4 8788 B12R0.5 CC/C=C\CCOCCOCCC 7a_100016288707_100011215938 [1,1,0,0,0,0|2,0,0]=4 8789 B12R0.5 CC/C=C\CCOCCSCCC 34a_200000230433_100015370543 [1,1,0,0,0,0|2,0,0]=4 8790 B12R0.5 CC/C=C\CCOCCSCCC 7a_200000230433_100015370543 [1,1,0,0,0,0|2,0,0]=4 8791 B12R0.5 CC/C=C\CCOCOCCCC 34a_100016288707_100011995733 [1,1,0,0,0,0|2,0,0]=4 8792 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [1,1,0,0,0,0|1,0,0]=3 8793 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [1,1,0,0,0,0|1,0,0]=3 8794 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [1,1,0,0,0,0|2,0,0]=4 8795 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [1,1,0,0,0,0|2,0,0]=4 8796 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [1,1,0,0,0,0|2,0,0]=4 8797 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [1,1,0,0,0,0|2,0,0]=4 8798 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [1,1,0,0,0,0|2,0,0]=4 8799 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [1,1,0,0,0,0|2,0,0]=4 8800 B12R0.5 CC/C=C\CCSCCCOCC 62a_100012232248_100015370543 [1,1,0,0,0,0|2,0,0]=4 8801 B12R0.5 CC/C=C\CCSCCCOCC 62a_100015370543_100012232248 [1,1,0,0,0,0|2,0,0]=4 8802 B12R0.5 CC/C=C\CCSCCOCCC 62a_100011215938_100015370543 [1,1,0,0,0,0|2,0,0]=4 8803 B12R0.5 CC/C=C\CCSCCOCCC 62a_100015370543_100011215938 [1,1,0,0,0,0|2,0,0]=4 8804 B12R0.5 CC/C=C\CCSCOCCCC 62a_100011995733_100015370543 [1,1,0,0,0,0|2,0,0]=4 8805 B12R0.5 CC/C=C\CCSCOCCCC 62a_100015370543_100011995733 [1,1,0,0,0,0|2,0,0]=4 8806 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [1,1,0,0,0,0|1,0,0]=3 8807 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [1,1,0,0,0,0|2,0,0]=4 8808 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [1,1,0,0,0,0|2,0,0]=4 8809 B12R0.5 CC/C=C\CNCCCCCOC 2230a_100000747528_100103147603 [1,1,0,0,0,0|2,0,0]=4 8810 B12R0.5 CC/C=C\CNCCCCCOC 34a_100000747528_100103147603 [1,1,0,0,0,0|2,0,0]=4 8811 B12R0.5 CC/C=C\CNCCCOCCC 2230a_100011217757_100103147603 [1,1,0,0,0,0|2,0,0]=4 8812 B12R0.5 CC/C=C\CNCCCOCCC 34a_100011217757_100103147603 [1,1,0,0,0,0|2,0,0]=4 8813 B12R0.5 CC/C=C\CNCCSCCCC 2230a_100025743550_100103147603 [1,1,0,0,0,0|2,0,0]=4 8814 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [1,1,0,0,0,0|2,0,0]=4 8815 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [1,1,0,0,0,0|2,0,0]=4 8816 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [1,1,0,0,0,0|1,0,0]=3 8817 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [1,1,0,0,0,0|1,0,0]=3 8818 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [1,1,0,0,0,0|1,0,0]=3 8819 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [1,1,0,0,0,0|2,0,0]=4 8820 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [1,1,0,0,0,0|2,0,0]=4 8821 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [1,1,0,0,0,0|2,0,0]=4 8822 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [1,1,0,0,0,0|2,0,0]=4 8823 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [1,1,0,0,0,0|2,0,0]=4 8824 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [1,1,0,0,0,0|2,0,0]=4 8825 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [1,1,0,0,0,0|2,0,0]=4 8826 B12R0.5 CC/C=C\COCCCCCNC 34a_100000722520_100103147603 [1,1,0,0,0,0|2,0,0]=4 8827 B12R0.5 CC/C=C\COCCOCCCC 34a_100000210238_100103147603 [1,1,0,0,0,0|2,0,0]=4 8828 B12R0.5 CC/C=C\COCCOCCCC 34a_100016268518_100000743108 [1,1,0,0,0,0|2,0,0]=4 8829 B12R0.5 CC/C=C\COCCOCCCC 7a_100000210238_100103147603 [1,1,0,0,0,0|2,0,0]=4 8830 B12R0.5 CC/C=C\COCCSCCCC 34a_200000230436_100103147603 [1,1,0,0,0,0|2,0,0]=4 8831 B12R0.5 CC/C=C\COCCSCCCC 7a_200000230436_100103147603 [1,1,0,0,0,0|2,0,0]=4 8832 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [1,1,0,0,0,0|1,0,0]=3 8833 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [1,1,0,0,0,0|1,0,0]=3 8834 B12R0.5 CC/C=C\CSCCCCCCF 62a_100015922095_100103147603 [1,1,0,0,0,0|2,0,0]=4 8835 B12R0.5 CC/C=C\CSCCCCCCF 62a_100103147603_100015922095 [1,1,0,0,0,0|2,0,0]=4 8836 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [1,1,0,0,0,0|2,0,0]=4 8837 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [1,1,0,0,0,0|2,0,0]=4 8838 B12R0.5 CC/C=C\CSCCOCCCC 62a_100000743108_100103147603 [1,1,0,0,0,0|2,0,0]=4 8839 B12R0.5 CC/C=C\CSCCOCCCC 62a_100103147603_100000743108 [1,1,0,0,0,0|2,0,0]=4 8840 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [1,1,0,0,0,0|1,0,1]=4 8841 B12R0.5 CCC#CCCCCCCNCC 2230a_100015525214_200000036426 [1,1,0,0,0,0|1,0,1]=4 8842 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [1,1,0,0,0,0|0,0,2]=4 8843 B12R0.5 CCC#CCCCCCCSCC 62a_100000210202_200000036426 [1,1,0,0,0,0|1,0,1]=4 8844 B12R0.5 CCC#CCCCCCCSCC 62a_200000036426_100000210202 [1,1,0,0,0,0|1,0,1]=4 8845 B12R0.5 CCC#CCCOCCCCCC 34a_100000036655_100000210314 [1,1,0,0,0,0|1,0,1]=4 8846 B12R0.5 CCC#CCCOCCCCCC 7a_100000036655_100000210314 [1,1,0,0,0,0|1,0,1]=4 8847 B12R0.5 CCC#CCNCCCCCCC 2230a_100000229938_100009813939 [1,1,0,0,0,0|1,0,1]=4 8848 B12R0.5 CCC#CCOCCCCCCC 34a_100000032950_100000210614 [1,1,0,0,0,0|1,0,1]=4 8849 B12R0.5 CCC#CCOCCCCCCC 34a_100000210272_100009813939 [1,1,0,0,0,0|1,0,1]=4 8850 B12R0.5 CCC#CCOCCCCCCC 7a_100000210272_100009813939 [1,1,0,0,0,0|1,0,1]=4 8851 B12R0.5 CCC#CCSCCCCCCC 62a_100000210614_100009813939 [1,1,0,0,0,0|1,0,1]=4 8852 B12R0.5 CCC#CCSCCCCCCC 62a_100009813939_100000210316 [1,1,0,0,0,0|1,0,1]=4 8853 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [1,1,0,0,0,0|1,0,1]=4 8854 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [1,1,0,0,0,0|1,0,1]=4 8855 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [1,1,0,0,0,0|0,0,2]=4 8856 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [1,1,0,0,0,0|0,0,2]=4 8857 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [1,1,0,0,0,0|0,0,2]=4 8858 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [1,1,0,0,0,0|0,0,2]=4 8859 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [1,1,0,0,0,0|0,0,2]=4 8860 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [1,1,0,0,0,0|0,0,2]=4 8861 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [1,1,0,0,0,0|0,0,2]=4 8862 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [1,1,0,0,0,0|0,0,2]=4 8863 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [1,1,0,0,0,0|0,0,2]=4 8864 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [1,1,0,0,0,0|0,0,2]=4 8865 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,1,0,0,0,0|1,0,0]=3 8866 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,1,0,0,0,0|1,0,0]=3 8867 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,1,0,0,0,0|1,0,0]=3 8868 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,1,0,0,0,0|1,0,0]=3 8869 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [1,1,0,0,0,0|1,0,0]=3 8870 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,1,0,0,0,0|1,0,1]=4 8871 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,1,0,0,0,0|1,0,1]=4 8872 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,1,0,0,0,0|1,0,1]=4 8873 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,1,0,0,0,0|1,0,1]=4 8874 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,1,0,0,0,0|1,0,1]=4 8875 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,1,0,0,0,0|1,0,1]=4 8876 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,1,0,0,0,0|1,0,1]=4 8877 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,1,0,0,0,0|1,0,1]=4 8878 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,1,0,0,0,0|1,0,1]=4 8879 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,1,0,0,0,0|1,0,1]=4 8880 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,1,0,0,0,0|1,0,1]=4 8881 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,1,0,0,0,0|1,0,1]=4 8882 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,1,0,0,0,0|1,0,1]=4 8883 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,1,0,0,0,0|1,0,1]=4 8884 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,1,0,0,0,0|1,0,1]=4 8885 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,1,0,0,0,0|1,0,1]=4 8886 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,1,0,0,0,0|1,0,1]=4 8887 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,1,0,0,0,0|0,0,1]=3 8888 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,1,0,0,0,0|0,0,1]=3 8889 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,1,0,0,0,0|0,0,1]=3 8890 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,1,0,0,0,0|1,0,1]=4 8891 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,1,0,0,0,0|1,0,1]=4 8892 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,1,0,0,0,0|0,1,1]=4 8893 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,1,0,0,0,0|1,0,1]=4 8894 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,1,0,0,0,0|1,0,1]=4 8895 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,1,0,0,0,0|1,0,1]=4 8896 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,1,0,0,0,0|1,0,1]=4 8897 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,1,0,0,0,0|1,0,1]=4 8898 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,1,0,0,0,0|1,0,1]=4 8899 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,1,0,0,0,0|1,0,1]=4 8900 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,1,0,0,0,0|1,0,1]=4 8901 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,1,0,0,0,0|1,0,1]=4 8902 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,1,0,0,0,0|1,0,1]=4 8903 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,1,0,0,0,0|1,0,1]=4 8904 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,1,0,0,0,0|1,0,1]=4 8905 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [1,1,0,0,0,0|0,0,2]=4 8906 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [1,1,0,0,0,0|0,0,2]=4 8907 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [1,1,0,0,0,0|0,0,2]=4 8908 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,1,0,0,0,0|0,0,1]=3 8909 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,1,0,0,0,0|0,0,1]=3 8910 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,1,0,0,0,0|0,0,1]=3 8911 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,1,0,0,0,0|0,0,1]=3 8912 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,1,0,0,0,0|0,0,1]=3 8913 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,1,0,0,0,0|0,0,1]=3 8914 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,1,0,0,0,0|0,0,1]=3 8915 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,1,0,0,0,0|0,0,1]=3 8916 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,1,0,0,0,0|0,0,1]=3 8917 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,1,0,0,0,0|0,0,1]=3 8918 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,1,0,0,0,0|0,1,1]=4 8919 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,1,0,0,0,0|0,1,1]=4 8920 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,1,0,0,0,0|0,1,1]=4 8921 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,1,0,0,0,0|0,1,1]=4 8922 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,1,0,0,0,0|0,1,1]=4 8923 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,1,0,0,0,0|1,0,1]=4 8924 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,1,0,0,0,0|1,0,1]=4 8925 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,1,0,0,0,0|1,0,1]=4 8926 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,1,0,0,0,0|1,0,1]=4 8927 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [1,1,0,0,0,0|2,0,0]=4 8928 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [1,1,0,0,0,0|2,0,0]=4 8929 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [1,1,0,0,0,0|2,0,0]=4 8930 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [1,1,0,0,0,0|2,0,0]=4 8931 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [1,1,0,0,0,0|2,0,0]=4 8932 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [1,1,0,0,0,0|2,0,0]=4 8933 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [1,1,0,0,0,0|2,0,0]=4 8934 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [1,1,0,0,0,0|2,0,0]=4 8935 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [1,1,0,0,0,0|2,0,0]=4 8936 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [1,1,0,0,0,0|2,0,0]=4 8937 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [1,1,0,0,0,0|2,0,0]=4 8938 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [1,1,0,0,0,0|2,0,0]=4 8939 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [1,1,0,0,0,0|2,0,0]=4 8940 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,1,0,0,0,0|1,0,1]=4 8941 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,1,0,0,0,0|1,0,1]=4 8942 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,1,0,0,0,0|1,0,1]=4 8943 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,1,0,0,0,0|1,0,1]=4 8944 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [1,1,0,0,0,0|2,0,0]=4 8945 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [1,1,0,0,0,0|2,0,0]=4 8946 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [1,1,0,0,0,0|2,0,0]=4 8947 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [1,1,0,0,0,0|2,0,0]=4 8948 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [1,1,0,0,0,0|2,0,0]=4 8949 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [1,1,0,0,0,0|2,0,0]=4 8950 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [1,1,0,0,0,0|2,0,0]=4 8951 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [1,1,0,0,0,0|2,0,0]=4 8952 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [1,1,0,0,0,0|2,0,0]=4 8953 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [1,1,0,0,0,0|2,0,0]=4 8954 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [1,1,0,0,0,0|2,0,0]=4 8955 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [1,1,0,0,0,0|2,0,0]=4 8956 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [1,1,0,0,0,0|2,0,0]=4 8957 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [1,1,0,0,0,0|2,0,0]=4 8958 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,1,0,0,0,0|1,0,1]=4 8959 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,1,0,0,0,0|1,0,1]=4 8960 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [1,1,0,0,0,0|2,0,0]=4 8961 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [1,1,0,0,0,0|2,0,0]=4 8962 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [1,1,0,0,0,0|2,0,0]=4 8963 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [1,1,0,0,0,0|2,0,0]=4 8964 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [1,1,0,0,0,0|2,0,0]=4 8965 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [1,1,0,0,0,0|2,0,0]=4 8966 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [1,1,0,0,0,0|2,0,0]=4 8967 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [1,1,0,0,0,0|2,0,0]=4 8968 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [1,1,0,0,0,0|0,0,1]=3 8969 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [1,1,0,0,0,0|0,0,1]=3 8970 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,1,0,0,0,0|1,0,1]=4 8971 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,1,0,0,0,0|1,0,1]=4 8972 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [1,1,0,0,0,0|0,0,1]=3 8973 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [1,1,0,0,0,0|0,0,1]=3 8974 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [1,1,0,0,0,0|0,0,1]=3 8975 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [1,1,0,0,0,0|0,1,1]=4 8976 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [1,1,0,0,0,0|0,1,1]=4 8977 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,1,0,0,0,0|1,0,1]=4 8978 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,1,0,0,0,0|1,0,1]=4 8979 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,1,0,0,0,0|1,0,1]=4 8980 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,1,0,0,0,0|1,0,1]=4 8981 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [1,1,0,0,0,0|0,0,1]=3 8982 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [1,1,0,0,0,0|0,0,1]=3 8983 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [1,1,0,0,0,0|0,0,1]=3 8984 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [1,1,0,0,0,0|0,0,1]=3 8985 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [1,1,0,0,0,0|0,1,1]=4 8986 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [1,1,0,0,0,0|0,1,1]=4 8987 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [1,1,0,0,0,0|0,1,1]=4 8988 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [1,1,0,0,0,0|0,1,1]=4 8989 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,1,0,0,0,0|1,0,1]=4 8990 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,1,0,0,0,0|1,0,1]=4 8991 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [1,1,0,0,0,0|0,0,1]=3 8992 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [1,1,0,0,0,0|0,0,1]=3 8993 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [1,1,0,0,0,0|0,1,1]=4 8994 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [1,1,0,0,0,0|0,1,1]=4 8995 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,1,0,0,0,0|1,0,1]=4 8996 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [1,1,0,0,0,0|0,0,1]=3 8997 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [1,1,0,0,0,0|0,0,1]=3 8998 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [1,1,0,0,0,0|0,0,1]=3 8999 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [1,1,0,0,0,0|1,0,1]=4 9000 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [1,1,0,0,0,0|1,0,1]=4 9001 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [1,1,0,0,0,0|1,0,1]=4 9002 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [1,1,0,0,0,0|1,0,1]=4 9003 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [1,1,0,0,0,0|1,0,1]=4 9004 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [1,1,0,0,0,0|1,0,1]=4 9005 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [1,1,0,0,0,0|2,0,0]=4 9006 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,1,0,0,0,0|1,0,1]=4 9007 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,1,0,0,0,0|1,0,1]=4 9008 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [1,1,0,0,0,0|0,0,1]=3 9009 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [1,1,0,0,0,0|0,0,1]=3 9010 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [1,1,0,0,0,0|0,0,1]=3 9011 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [1,1,0,0,0,0|0,0,1]=3 9012 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [1,1,0,0,0,0|0,1,1]=4 9013 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [1,1,0,0,0,0|0,1,1]=4 9014 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [1,1,0,0,0,0|1,0,1]=4 9015 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [1,1,0,0,0,0|1,0,1]=4 9016 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [1,1,0,0,0,0|1,0,1]=4 9017 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [1,1,0,0,0,0|1,0,1]=4 9018 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [1,1,0,0,0,0|1,0,1]=4 9019 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [1,1,0,0,0,0|1,0,1]=4 9020 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [1,1,0,0,0,0|1,0,1]=4 9021 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [1,1,0,0,0,0|1,0,1]=4 9022 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [1,1,0,0,0,0|1,0,1]=4 9023 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [1,1,0,0,0,0|1,0,1]=4 9024 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [1,1,0,0,0,0|1,0,1]=4 9025 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [1,1,0,0,0,0|1,0,1]=4 9026 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [1,1,0,0,0,0|1,0,1]=4 9027 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [1,1,0,0,0,0|1,0,1]=4 9028 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [1,1,0,0,0,0|1,0,1]=4 9029 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [1,1,0,0,0,0|1,0,1]=4 9030 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [1,1,0,0,0,0|1,0,1]=4 9031 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [1,1,0,0,0,0|1,0,1]=4 9032 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [1,1,0,0,0,0|1,0,1]=4 9033 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [1,1,0,0,0,0|1,0,1]=4 9034 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [1,1,0,0,0,0|1,0,1]=4 9035 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [1,1,0,0,0,0|1,0,1]=4 9036 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [1,1,0,0,0,0|2,0,0]=4 9037 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [1,1,0,0,0,0|2,0,0]=4 9038 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,1,0,0,0,0|1,0,1]=4 9039 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [1,1,0,0,0,0|0,0,1]=3 9040 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [1,1,0,0,0,0|0,0,1]=3 9041 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [1,1,0,0,0,0|1,0,1]=4 9042 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [1,1,0,0,0,0|1,0,1]=4 9043 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [1,1,0,0,0,0|1,0,1]=4 9044 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [1,1,0,0,0,0|1,0,1]=4 9045 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [1,1,0,0,0,0|1,0,1]=4 9046 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [1,1,0,0,0,0|1,0,1]=4 9047 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [1,1,0,0,0,0|1,0,1]=4 9048 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [1,1,0,0,0,0|1,0,1]=4 9049 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [1,1,0,0,0,0|1,0,1]=4 9050 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [1,1,0,0,0,0|1,0,1]=4 9051 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [1,1,0,0,0,0|1,0,1]=4 9052 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [1,1,0,0,0,0|1,0,1]=4 9053 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [1,1,0,0,0,0|1,0,1]=4 9054 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [1,1,0,0,0,0|1,0,1]=4 9055 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [1,1,0,0,0,0|1,0,1]=4 9056 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [1,1,0,0,0,0|1,0,1]=4 9057 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [1,1,0,0,0,0|1,0,1]=4 9058 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [1,1,0,0,0,0|1,0,1]=4 9059 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [1,1,0,0,0,0|1,0,1]=4 9060 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [1,1,0,0,0,0|1,0,1]=4 9061 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [1,1,0,0,0,0|1,0,1]=4 9062 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [1,1,0,0,0,0|1,0,1]=4 9063 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [1,1,0,0,0,0|1,0,1]=4 9064 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [1,1,0,0,0,0|1,0,1]=4 9065 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [1,1,0,0,0,0|1,0,1]=4 9066 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [1,1,0,0,0,0|1,0,1]=4 9067 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [1,1,0,0,0,0|1,0,1]=4 9068 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [1,1,0,0,0,0|1,0,1]=4 9069 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [1,1,0,0,0,0|1,0,1]=4 9070 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [1,1,0,0,0,0|1,0,1]=4 9071 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [1,1,0,0,0,0|1,0,1]=4 9072 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [1,1,0,0,0,0|1,0,1]=4 9073 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [1,1,0,0,0,0|1,0,1]=4 9074 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [1,1,0,0,0,0|1,0,1]=4 9075 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [1,1,0,0,0,0|1,0,1]=4 9076 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [1,1,0,0,0,0|1,0,1]=4 9077 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [1,1,0,0,0,0|1,0,1]=4 9078 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [1,1,0,0,0,0|1,0,1]=4 9079 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [1,1,0,0,0,0|1,0,1]=4 9080 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [1,1,0,0,0,0|1,0,1]=4 9081 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [1,1,0,0,0,0|1,0,1]=4 9082 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [1,1,0,0,0,0|1,0,1]=4 9083 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [1,1,0,0,0,0|1,0,1]=4 9084 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [1,1,0,0,0,0|1,0,1]=4 9085 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [1,1,0,0,0,0|1,0,1]=4 9086 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,1,0,0,0,0|2,0,0]=4 9087 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,1,0,0,0,0|2,0,0]=4 9088 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,1,0,0,0,0|1,0,1]=4 9089 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,1,0,0,0,0|1,0,1]=4 9090 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,1,0,0,0,0|1,0,1]=4 9091 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,1,0,0,0,0|1,0,1]=4 9092 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,1,0,0,0,0|1,0,1]=4 9093 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,1,0,0,0,0|1,0,1]=4 9094 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [1,1,0,0,0,0|1,0,1]=4 9095 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [1,1,0,0,0,0|1,0,1]=4 9096 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [1,1,0,0,0,0|1,0,1]=4 9097 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [1,1,0,0,0,0|1,0,1]=4 9098 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [1,1,0,0,0,0|1,0,1]=4 9099 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [1,1,0,0,0,0|1,0,1]=4 9100 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [1,1,0,0,0,0|1,0,1]=4 9101 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [1,1,0,0,0,0|1,0,1]=4 9102 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [1,1,0,0,0,0|1,0,1]=4 9103 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [1,1,0,0,0,0|1,0,1]=4 9104 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [1,1,0,0,0,0|1,0,1]=4 9105 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [1,1,0,0,0,0|1,0,1]=4 9106 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,1,0,0,0,0|2,0,0]=4 9107 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,1,0,0,0,0|2,0,0]=4 9108 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [1,1,0,0,0,0|1,0,1]=4 9109 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [1,1,0,0,0,0|1,0,1]=4 9110 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [1,1,0,0,0,0|1,0,1]=4 9111 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,1,0,0,0,0|1,0,1]=4 9112 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,1,0,0,0,0|1,0,1]=4 9113 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,1,0,0,0,0|1,0,1]=4 9114 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,1,0,0,0,0|0,0,1]=3 9115 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,1,0,0,0,0|0,0,1]=3 9116 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,1,0,0,0,0|0,0,1]=3 9117 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,1,0,0,0,0|0,0,1]=3 9118 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,1,0,0,0,0|0,0,1]=3 9119 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,1,0,0,0,0|0,0,1]=3 9120 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [1,1,0,0,0,0|1,0,1]=4 9121 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [1,1,0,0,0,0|1,0,1]=4 9122 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [1,1,0,0,0,0|1,0,1]=4 9123 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [1,1,0,0,0,0|1,0,1]=4 9124 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [1,1,0,0,0,0|1,0,1]=4 9125 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [1,1,0,0,0,0|1,0,1]=4 9126 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [1,1,0,0,0,0|1,0,1]=4 9127 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [1,1,0,0,0,0|1,0,1]=4 9128 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [1,1,0,0,0,0|1,0,1]=4 9129 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [1,1,0,0,0,0|1,0,1]=4 9130 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [1,1,0,0,0,0|1,0,1]=4 9131 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [1,1,0,0,0,0|1,0,1]=4 9132 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [1,1,0,0,0,0|1,0,1]=4 9133 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [1,1,0,0,0,0|1,0,1]=4 9134 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [1,1,0,0,0,0|1,0,1]=4 9135 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [1,1,0,0,0,0|1,0,1]=4 9136 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [1,1,0,0,0,0|1,0,1]=4 9137 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [1,1,0,0,0,0|1,0,1]=4 9138 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [1,1,0,0,0,0|1,0,1]=4 9139 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [1,1,0,0,0,0|1,0,1]=4 9140 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [1,1,0,0,0,0|1,0,1]=4 9141 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [1,1,0,0,0,0|1,0,1]=4 9142 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [1,1,0,0,0,0|1,0,1]=4 9143 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [1,1,0,0,0,0|1,0,1]=4 9144 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [1,1,0,0,0,0|1,0,1]=4 9145 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [1,1,0,0,0,0|1,0,1]=4 9146 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [1,1,0,0,0,0|1,0,1]=4 9147 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [1,1,0,0,0,0|1,0,1]=4 9148 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [1,1,0,0,0,0|1,0,1]=4 9149 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [1,1,0,0,0,0|1,0,1]=4 9150 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [1,1,0,0,0,0|1,0,1]=4 9151 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [1,1,0,0,0,0|1,0,1]=4 9152 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [1,1,0,0,0,0|1,0,1]=4 9153 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [1,1,0,0,0,0|1,0,1]=4 9154 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [1,1,0,0,0,0|1,0,1]=4 9155 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [1,1,0,0,0,0|1,0,1]=4 9156 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [1,1,0,0,0,0|1,0,1]=4 9157 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [1,1,0,0,0,0|1,0,1]=4 9158 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [1,1,0,0,0,0|1,0,1]=4 9159 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [1,1,0,0,0,0|1,0,1]=4 9160 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [1,1,0,0,0,0|1,0,1]=4 9161 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [1,1,0,0,0,0|1,0,1]=4 9162 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [1,1,0,0,0,0|1,0,1]=4 9163 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [1,1,0,0,0,0|1,0,1]=4 9164 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [1,1,0,0,0,0|1,0,1]=4 9165 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [1,1,0,0,0,0|1,0,1]=4 9166 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [1,1,0,0,0,0|1,0,1]=4 9167 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [1,1,0,0,0,0|1,0,1]=4 9168 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [1,1,0,0,0,0|1,0,1]=4 9169 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [1,1,0,0,0,0|1,0,1]=4 9170 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [1,1,0,0,0,0|1,0,1]=4 9171 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [1,1,0,0,0,0|1,0,1]=4 9172 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [1,1,0,0,0,0|1,0,1]=4 9173 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [1,1,0,0,0,0|1,0,1]=4 9174 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [1,1,0,0,0,0|1,0,1]=4 9175 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [1,1,0,0,0,0|1,0,1]=4 9176 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [1,1,0,0,0,0|1,0,1]=4 9177 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [1,1,0,0,0,0|1,0,1]=4 9178 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [1,1,0,0,0,0|1,0,1]=4 9179 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [1,1,0,0,0,0|1,0,1]=4 9180 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [1,1,0,0,0,0|1,0,1]=4 9181 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [1,1,0,0,0,0|1,0,1]=4 9182 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [1,1,0,0,0,0|1,0,1]=4 9183 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [1,1,0,0,0,0|1,0,1]=4 9184 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [1,1,0,0,0,0|1,0,1]=4 9185 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,1,0,0,0,0|0,1,1]=4 9186 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,1,0,0,0,0|0,1,1]=4 9187 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [1,1,0,0,0,0|1,0,1]=4 9188 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [1,1,0,0,0,0|1,0,1]=4 9189 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [1,1,0,0,0,0|1,0,1]=4 9190 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [1,1,0,0,0,0|1,0,1]=4 9191 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [1,1,0,0,0,0|1,0,1]=4 9192 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [1,1,0,0,0,0|1,0,1]=4 9193 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [1,1,0,0,0,0|1,0,1]=4 9194 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [1,1,0,0,0,0|1,0,1]=4 9195 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [1,1,0,0,0,0|1,0,1]=4 9196 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [1,1,0,0,0,0|1,0,1]=4 9197 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [1,1,0,0,0,0|1,0,1]=4 9198 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [1,1,0,0,0,0|1,0,1]=4 9199 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [1,1,0,0,0,0|1,0,1]=4 9200 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [1,1,0,0,0,0|1,0,1]=4 9201 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [1,1,0,0,0,0|1,0,1]=4 9202 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [1,1,0,0,0,0|1,0,1]=4 9203 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [1,1,0,0,0,0|1,0,1]=4 9204 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [1,1,0,0,0,0|1,0,1]=4 9205 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [1,1,0,0,0,0|1,0,1]=4 9206 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [1,1,0,0,0,0|1,0,1]=4 9207 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [1,1,0,0,0,0|1,0,1]=4 9208 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [1,1,0,0,0,0|1,0,1]=4 9209 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [1,1,0,0,0,0|1,0,1]=4 9210 B12R0.47 CC/C=C\CCN(C)CCCCC 2230a_100000223495_100015370543 [1,1,0,0,0,0|2,0,0]=4 9211 B12R0.47 CC/C=C\CCN(C)CCCCC 269982a_100000223495_100015370543 [1,1,0,0,0,0|2,0,0]=4 9212 B12R0.47 CC/C=C\CN(C)CCCCCC 2230a_106256046315_100103147603 [1,1,0,0,0,0|2,0,0]=4 9213 B12R0.47 CC/C=C\CN(C)CCCCCC 269982a_106256046315_100103147603 [1,1,0,0,0,0|2,0,0]=4 9214 B12R0.47 CC/C=C\CNC(C)CCCCC 2230a_100000211957_100103147603 [1,1,0,0,0,0|2,0,0]=4 9215 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [1,1,0,0,0,0|2,0,0]=4 9216 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [1,1,0,0,0,0|2,0,0]=4 9217 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [1,1,0,0,0,0|2,0,0]=4 9218 B12R0.47 CC/C=C\CSC(C)CCCCC 62a_100103147603_200011218191 [1,1,0,0,0,0|2,0,0]=4 9219 B12R0.47 CC/C=C\CSC(C)CCCCC 62a_200011218191_100103147603 [1,1,0,0,0,0|2,0,0]=4 9220 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [1,1,0,0,0,0|0,0,2]=4 9221 B12R0.47 CCCCCC(C)NCCOCC 2230a_100000211957_100011215890 [1,1,0,0,0,0|1,0,1]=4 9222 B12R0.47 CCCCCC(C)NCCOCC 2230a_102516460346_200011218191 [1,1,0,0,0,0|1,0,1]=4 9223 B12R0.47 CCCCCC(C)NCCOCC 270004a_102516460346_100000211708 [1,1,0,0,0,0|1,0,1]=4 9224 B12R0.47 CCCCCC(C)NCCOCC 34a_102516460346_200011218191 [1,1,0,0,0,0|1,0,1]=4 9225 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [1,1,0,0,0,0|1,0,1]=4 9226 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [1,1,0,0,0,0|1,0,1]=4 9227 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [1,1,0,0,0,0|1,0,1]=4 9228 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [1,1,0,0,0,0|1,0,1]=4 9229 B12R0.47 CCCCCC(C)SCCOCC 62a_100000210147_200011218191 [1,1,0,0,0,0|1,0,1]=4 9230 B12R0.47 CCCCCC(C)SCCOCC 62a_200011218191_100011215890 [1,1,0,0,0,0|1,0,1]=4 9231 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [1,1,0,0,0,0|0,0,2]=4 9232 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [1,1,0,0,0,0|0,0,2]=4 9233 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [1,1,0,0,0,0|0,0,2]=4 9234 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [1,1,0,0,0,0|0,0,1]=3 9235 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [1,1,0,0,0,0|0,0,1]=3 9236 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [1,1,0,0,0,0|1,0,1]=4 9237 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [1,1,0,0,0,0|1,0,1]=4 9238 B12R0.47 CCCCCCC(C)SCOCC 62a_100000739092_100011215978 [1,1,0,0,0,0|1,0,1]=4 9239 B12R0.47 CCCCCCC(C)SCOCC 62a_100011215978_100000739092 [1,1,0,0,0,0|1,0,1]=4 9240 B12R0.47 CCCCCCN(C)CCOCC 2230a_106256046315_100011215890 [1,1,0,0,0,0|1,0,1]=4 9241 B12R0.47 CCCCCCN(C)CCOCC 269982a_106256046315_100011215890 [1,1,0,0,0,0|1,0,1]=4 9242 B12R0.47 CCCCCN(C)CCCOCC 2230a_100000223495_100012232248 [1,1,0,0,0,0|1,0,1]=4 9243 B12R0.47 CCCCCN(C)CCCOCC 269982a_100000223495_100012232248 [1,1,0,0,0,0|1,0,1]=4 9244 B12R0.47 CCCCCNC(C)CCOCC 270004a_100000209983_200011216536 [1,1,0,0,0,0|1,0,1]=4 9245 B12R0.206 CC/C=C\CCNC(C)CCCC 2230a_100000126638_100015370543 [1,1,0,0,0,0|2,0,0]=4 9246 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [1,1,0,0,0,0|2,0,0]=4 9247 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [1,1,0,0,0,0|2,0,0]=4 9248 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [1,1,0,0,0,0|2,0,0]=4 9249 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [1,1,0,0,0,0|2,0,0]=4 9250 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_100015370543_200011215066 [1,1,0,0,0,0|2,0,0]=4 9251 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_200011215066_100015370543 [1,1,0,0,0,0|2,0,0]=4 9252 B12R0.206 CC/C=C\COCC(C)CCCC 34a_100011995851_100103147603 [1,1,0,0,0,0|2,0,0]=4 9253 B12R0.206 CC/C=C\COCC(C)CCCC 7a_100011995851_100103147603 [1,1,0,0,0,0|2,0,0]=4 9254 B12R0.206 CC/C=C\COC[C@@H](N)CCCC 34a_100011934283_100103147603 [1,1,0,0,0,0|2,0,0]=4 9255 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [1,1,0,0,0,0|1,0,1]=4 9256 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [1,1,0,0,0,0|0,0,1]=3 9257 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [1,1,0,0,0,0|0,0,1]=3 9258 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [1,1,0,0,0,0|1,0,1]=4 9259 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [1,1,0,0,0,0|1,0,1]=4 9260 B12R0.206 CCCCC(C)COCCOCC 34a_100011995851_100000210147 [1,1,0,0,0,0|1,0,1]=4 9261 B12R0.206 CCCCC(C)COCCOCC 7a_100011995851_100011215890 [1,1,0,0,0,0|1,0,1]=4 9262 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000126638_100012232248 [1,1,0,0,0,0|1,0,1]=4 9263 B12R0.206 CCCCC(C)NCCCOCC 2230a_100000210961_200011215066 [1,1,0,0,0,0|1,0,1]=4 9264 B12R0.206 CCCCC(C)NCCCOCC 270004a_100000210961_100000210087 [1,1,0,0,0,0|1,0,1]=4 9265 B12R0.206 CCCCC(C)NCCCOCC 34a_100000210961_200011215066 [1,1,0,0,0,0|1,0,1]=4 9266 B12R0.206 CCCCC(C)OCCCOCC 34a_100000687866_100012232248 [1,1,0,0,0,0|1,0,1]=4 9267 B12R0.206 CCCCC(C)OCCCOCC 34a_100000757476_200011215066 [1,1,0,0,0,0|1,0,1]=4 9268 B12R0.206 CCCCC(C)OCCCOCC 7a_100000687866_100012232248 [1,1,0,0,0,0|1,0,1]=4 9269 B12R0.206 CCCCC(C)OCCCOCC 7a_100000757476_200011215066 [1,1,0,0,0,0|1,0,1]=4 9270 B12R0.206 CCCCC(C)SCCCOCC 62a_100012232248_200011215066 [1,1,0,0,0,0|1,0,1]=4 9271 B12R0.206 CCCCC(C)SCCCOCC 62a_200011215066_100012232248 [1,1,0,0,0,0|1,0,1]=4 9272 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [1,1,0,0,0,0|0,0,2]=4 9273 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [1,1,0,0,0,0|2,0,0]=4 9274 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [1,1,0,0,0,0|2,0,0]=4 9275 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [1,1,0,0,0,0|2,0,0]=4 9276 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [1,1,0,0,0,0|2,0,0]=4 9277 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [1,1,0,0,0,0|2,0,0]=4 9278 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [1,1,0,0,0,0|2,0,0]=4 9279 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [1,1,0,0,0,0|1,0,1]=4 9280 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [1,1,0,0,0,0|1,0,1]=4 9281 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [1,1,0,0,0,0|1,0,1]=4 9282 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [1,1,0,0,0,0|1,0,1]=4 9283 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [1,1,0,0,0,0|1,0,1]=4 9284 B12R0.206 CCCC[C@H](N)COCCOCC 34a_100011934283_100000210147 [1,1,0,0,0,0|1,0,1]=4 9285 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [1,1,0,0,0,0|1,0,1]=4 9286 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [1,1,0,0,0,0|1,0,1]=4 9287 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [1,1,0,0,0,0|1,0,1]=4 9288 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [1,1,0,0,0,0|1,0,1]=4 9289 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [1,1,0,0,0,0|1,0,1]=4 9290 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [1,1,0,0,0,0|1,0,1]=4 9291 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [1,1,0,0,0,0|1,0,1]=4 9292 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [1,1,0,0,0,0|1,0,1]=4 9293 B12R0.234 CC/C=C/CCCOCCC(C)C 34a_100016287902_100000210312 [1,1,0,0,0,0|2,0,0]=4 9294 B12R0.234 CC/C=C/CCCOCCC(C)C 7a_100016287902_100000210626 [1,1,0,0,0,0|2,0,0]=4 9295 B12R0.234 CC/C=C/CCCOCCC(C)O 34a_100016287902_100012276601 [1,1,0,0,0,0|2,0,0]=4 9296 B12R0.234 CC/C=C/CCCOCCC(C)O 7a_100016287902_100012276601 [1,1,0,0,0,0|2,0,0]=4 9297 B12R0.234 CC/C=C\CCCCCOC(C)C 34a_100016268722_100000210206 [1,1,0,0,0,0|2,0,0]=4 9298 B12R0.234 CC/C=C\CCCCCOC(C)C 7a_100016268722_100000210206 [1,1,0,0,0,0|2,0,0]=4 9299 B12R0.234 CC/C=C\CCCCOCC(C)C 34a_100016287862_100000210624 [1,1,0,0,0,0|2,0,0]=4 9300 B12R0.234 CC/C=C\CCCCOCC(C)C 7a_100016287862_100000210760 [1,1,0,0,0,0|2,0,0]=4 9301 B12R0.234 CC/C=C\CCCCOCC(C)O 34a_100016287862_100011218427 [1,1,0,0,0,0|2,0,0]=4 9302 B12R0.234 CC/C=C\CCCCOCC(C)O 7a_100016287862_100011218427 [1,1,0,0,0,0|2,0,0]=4 9303 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 34a_100016287862_100009817552 [1,1,0,0,0,0|2,0,0]=4 9304 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 7a_100016287862_100009817552 [1,1,0,0,0,0|2,0,0]=4 9305 B12R0.234 CC/C=C\CCNCCCC(C)C 2230a_200000737386_100015370543 [1,1,0,0,0,0|2,0,0]=4 9306 B12R0.234 CC/C=C\CCNCCCC(C)C 34a_200000737386_100015370543 [1,1,0,0,0,0|2,0,0]=4 9307 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100000210774_100015370543 [1,1,0,0,0,0|2,0,0]=4 9308 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100016288707_100011214892 [1,1,0,0,0,0|2,0,0]=4 9309 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100000210774_100015370543 [1,1,0,0,0,0|2,0,0]=4 9310 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100016288707_100011214892 [1,1,0,0,0,0|2,0,0]=4 9311 B12R0.234 CC/C=C\CCOCCCC(C)O 34a_100016288707_200000718107 [1,1,0,0,0,0|2,0,0]=4 9312 B12R0.234 CC/C=C\CCOCCCC(C)O 7a_100016288707_200000718107 [1,1,0,0,0,0|2,0,0]=4 9313 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100011214892_100015370543 [1,1,0,0,0,0|2,0,0]=4 9314 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100015370543_100011214892 [1,1,0,0,0,0|2,0,0]=4 9315 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_100015370543_200000718107 [1,1,0,0,0,0|2,0,0]=4 9316 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_200000718107_100015370543 [1,1,0,0,0,0|2,0,0]=4 9317 B12R0.234 CC/C=C\COCCCCC(C)C 34a_100011214890_100103147603 [1,1,0,0,0,0|2,0,0]=4 9318 B12R0.234 CC/C=C\COCCCCC(C)C 34a_100016268518_100011216152 [1,1,0,0,0,0|2,0,0]=4 9319 B12R0.234 CC/C=C\COCCCCC(C)C 7a_100011214890_100103147603 [1,1,0,0,0,0|2,0,0]=4 9320 B12R0.234 CC/C=C\CSCCCCC(C)C 62a_100011216152_100103147603 [1,1,0,0,0,0|2,0,0]=4 9321 B12R0.234 CC/C=C\CSCCCCC(C)C 62a_100103147603_100011216152 [1,1,0,0,0,0|2,0,0]=4 9322 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [1,1,0,0,0,0|1,0,1]=4 9323 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [1,1,0,0,0,0|1,0,1]=4 9324 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [1,1,0,0,0,0|1,0,1]=4 9325 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [1,1,0,0,0,0|1,0,1]=4 9326 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [1,1,0,0,0,0|1,0,1]=4 9327 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [1,1,0,0,0,0|1,0,1]=4 9328 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [1,1,0,0,0,0|0,0,1]=3 9329 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [1,1,0,0,0,0|0,0,1]=3 9330 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [1,1,0,0,0,0|0,0,1]=3 9331 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [1,1,0,0,0,0|0,1,1]=4 9332 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [1,1,0,0,0,0|2,0,0]=4 9333 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [1,1,0,0,0,0|2,0,0]=4 9334 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [1,1,0,0,0,0|2,0,0]=4 9335 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [1,1,0,0,0,0|2,0,0]=4 9336 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [1,1,0,0,0,0|2,0,0]=4 9337 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [1,1,0,0,0,0|2,0,0]=4 9338 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [1,1,0,0,0,0|2,0,0]=4 9339 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [1,1,0,0,0,0|2,0,0]=4 9340 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [1,1,0,0,0,0|2,0,0]=4 9341 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [1,1,0,0,0,0|2,0,0]=4 9342 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [1,1,0,0,0,0|2,0,0]=4 9343 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [1,1,0,0,0,0|2,0,0]=4 9344 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [1,1,0,0,0,0|2,0,0]=4 9345 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [1,1,0,0,0,0|2,0,0]=4 9346 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [1,1,0,0,0,0|2,0,0]=4 9347 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [1,1,0,0,0,0|2,0,0]=4 9348 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [1,1,0,0,0,0|2,0,0]=4 9349 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [1,1,0,0,0,0|2,0,0]=4 9350 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [1,1,0,0,0,0|2,0,0]=4 9351 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [1,1,0,0,0,0|2,0,0]=4 9352 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [1,1,0,0,0,0|2,0,0]=4 9353 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [1,1,0,0,0,0|2,0,0]=4 9354 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [1,1,0,0,0,0|2,0,0]=4 9355 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [1,1,0,0,0,0|2,0,0]=4 9356 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [1,1,0,0,0,0|2,0,0]=4 9357 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [1,1,0,0,0,0|2,0,0]=4 9358 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [1,1,0,0,0,0|2,0,0]=4 9359 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [1,1,0,0,0,0|2,0,0]=4 9360 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [1,1,0,0,0,0|1,0,1]=4 9361 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [1,1,0,0,0,0|1,0,1]=4 9362 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [1,1,0,0,0,0|1,0,1]=4 9363 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [1,1,0,0,0,0|1,0,1]=4 9364 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [1,1,0,0,0,0|1,0,1]=4 9365 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [1,1,0,0,0,0|1,0,1]=4 9366 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [1,1,0,0,0,0|1,0,1]=4 9367 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [1,1,0,0,0,0|1,0,1]=4 9368 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [1,1,0,0,0,0|1,0,1]=4 9369 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [1,1,0,0,0,0|1,0,1]=4 9370 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [1,1,0,0,0,0|1,0,1]=4 9371 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [1,1,0,0,0,0|1,0,1]=4 9372 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [1,1,0,0,0,0|1,0,1]=4 9373 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [1,1,0,0,0,0|1,0,1]=4 9374 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [1,1,0,0,0,0|1,0,1]=4 9375 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [1,1,0,0,0,0|1,0,1]=4 9376 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [1,1,0,0,0,0|1,0,1]=4 9377 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [1,1,0,0,0,0|1,0,1]=4 9378 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [1,1,0,0,0,0|1,0,1]=4 9379 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [1,1,0,0,0,0|1,0,1]=4 9380 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [1,1,0,0,0,0|2,0,0]=4 9381 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [1,1,0,0,0,0|2,0,0]=4 9382 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [1,1,0,0,0,0|0,0,1]=3 9383 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [1,1,0,0,0,0|0,0,1]=3 9384 B12R0.234 CCOCCCNCCCC(C)C 2230a_100000210961_100011214892 [1,1,0,0,0,0|1,0,1]=4 9385 B12R0.234 CCOCCCNCCCC(C)C 2230a_200000737386_100012232248 [1,1,0,0,0,0|1,0,1]=4 9386 B12R0.234 CCOCCCNCCCC(C)C 34a_100000210961_100011214892 [1,1,0,0,0,0|1,0,1]=4 9387 B12R0.234 CCOCCCNCCCC(C)C 34a_200000737386_100012232248 [1,1,0,0,0,0|1,0,1]=4 9388 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [1,1,0,0,0,0|1,0,1]=4 9389 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [1,1,0,0,0,0|1,0,1]=4 9390 B12R0.234 CCOCCCOCCCC(C)C 34a_100000210774_100012232248 [1,1,0,0,0,0|1,0,1]=4 9391 B12R0.234 CCOCCCOCCCC(C)C 34a_100000757476_100011214892 [1,1,0,0,0,0|1,0,1]=4 9392 B12R0.234 CCOCCCOCCCC(C)C 7a_100000210774_100012232248 [1,1,0,0,0,0|1,0,1]=4 9393 B12R0.234 CCOCCCOCCCC(C)C 7a_100000757476_100011214892 [1,1,0,0,0,0|1,0,1]=4 9394 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [1,1,0,0,0,0|1,0,1]=4 9395 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [1,1,0,0,0,0|1,0,1]=4 9396 B12R0.234 CCOCCCSCCCC(C)C 62a_100011214892_100012232248 [1,1,0,0,0,0|1,0,1]=4 9397 B12R0.234 CCOCCCSCCCC(C)C 62a_100012232248_100011214892 [1,1,0,0,0,0|1,0,1]=4 9398 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [1,1,0,0,0,0|1,0,1]=4 9399 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [1,1,0,0,0,0|1,0,1]=4 9400 B12R0.234 CCOCCNCCCCC(C)C 2230a_102516460346_100011216152 [1,1,0,0,0,0|1,0,1]=4 9401 B12R0.234 CCOCCNCCCCC(C)C 34a_102516460346_100011216152 [1,1,0,0,0,0|1,0,1]=4 9402 B12R0.234 CCOCCOCCCCC(C)C 34a_100000210136_100011216152 [1,1,0,0,0,0|1,0,1]=4 9403 B12R0.234 CCOCCOCCCCC(C)C 34a_100011214890_100000210147 [1,1,0,0,0,0|1,0,1]=4 9404 B12R0.234 CCOCCOCCCCC(C)C 7a_100000210136_100011216152 [1,1,0,0,0,0|1,0,1]=4 9405 B12R0.234 CCOCCOCCCCC(C)C 7a_100011214890_100011215890 [1,1,0,0,0,0|1,0,1]=4 9406 B12R0.234 CCOCCSCCCCC(C)C 62a_100000210147_100011216152 [1,1,0,0,0,0|1,0,1]=4 9407 B12R0.234 CCOCCSCCCCC(C)C 62a_100011216152_100011215890 [1,1,0,0,0,0|1,0,1]=4 9408 B12R0.234 CCOCSCCCCCC(C)C 62a_100000210682_100000739092 [1,1,0,0,0,0|1,0,1]=4 9409 B12R0.234 CCOCSCCCCCC(C)C 62a_100000739092_100000210682 [1,1,0,0,0,0|1,0,1]=4 9410 B12R0.248 CC/C=C/CCCOCC(C)CC 34a_100016287902_100000748023 [1,1,0,0,0,0|2,0,0]=4 9411 B12R0.248 CC/C=C/CCCOCC(C)CC 7a_100016287902_100000748023 [1,1,0,0,0,0|2,0,0]=4 9412 B12R0.248 CC/C=C/CCCOCC(O)CC 34a_100016287902_100011218378 [1,1,0,0,0,0|2,0,0]=4 9413 B12R0.248 CC/C=C/CCCOCC(O)CC 7a_100016287902_100011218378 [1,1,0,0,0,0|2,0,0]=4 9414 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 34a_100016287902_100009816398 [1,1,0,0,0,0|2,0,0]=4 9415 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 7a_100016287902_100009816398 [1,1,0,0,0,0|2,0,0]=4 9416 B12R0.248 CC/C=C\CCCCOC(C)CC 34a_100016287862_100011215416 [1,1,0,0,0,0|2,0,0]=4 9417 B12R0.248 CC/C=C\CCCCOC(C)CC 7a_100016287862_100000758301 [1,1,0,0,0,0|2,0,0]=4 9418 B12R0.248 CC/C=C\CCNCCC(C)CC 2230a_100020591266_100015370543 [1,1,0,0,0,0|2,0,0]=4 9419 B12R0.248 CC/C=C\CCOCCC(C)CC 7a_100011215188_100015370543 [1,1,0,0,0,0|2,0,0]=4 9420 B12R0.248 CC/C=C\COCCCC(C)CC 7a_100011216074_100103147603 [1,1,0,0,0,0|2,0,0]=4 9421 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [1,1,0,0,0,0|1,0,1]=4 9422 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,1,0,0,0,0|1,0,1]=4 9423 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,1,0,0,0,0|1,0,1]=4 9424 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [1,1,0,0,0,0|1,0,1]=4 9425 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [1,1,0,0,0,0|1,0,1]=4 9426 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [1,1,0,0,0,0|1,0,1]=4 9427 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [1,1,0,0,0,0|1,0,1]=4 9428 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,1,0,0,0,0|2,0,0]=4 9429 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,1,0,0,0,0|2,0,0]=4 9430 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,1,0,0,0,0|2,0,0]=4 9431 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,1,0,0,0,0|2,0,0]=4 9432 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [1,1,0,0,0,0|2,0,0]=4 9433 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [1,1,0,0,0,0|2,0,0]=4 9434 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [1,1,0,0,0,0|2,0,0]=4 9435 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [1,1,0,0,0,0|2,0,0]=4 9436 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [1,1,0,0,0,0|2,0,0]=4 9437 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [1,1,0,0,0,0|2,0,0]=4 9438 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [1,1,0,0,0,0|2,0,0]=4 9439 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [1,1,0,0,0,0|2,0,0]=4 9440 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [1,1,0,0,0,0|2,0,0]=4 9441 B12R0.248 CCOCCCNCCC(C)CC 2230a_100020591266_100012232248 [1,1,0,0,0,0|1,0,1]=4 9442 B12R0.248 CCOCCCOCCC(C)CC 7a_100011215188_100012232248 [1,1,0,0,0,0|1,0,1]=4 9443 B12R0.248 CCOCCOCCCC(C)CC 7a_100011216074_100011215890 [1,1,0,0,0,0|1,0,1]=4 9444 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [1,1,0,0,0,0|1,0,1]=4 9445 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [1,1,0,0,0,0|2,0,0]=4 9446 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [1,1,0,0,0,0|2,0,0]=4 9447 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [1,1,0,0,0,0|2,0,0]=4 9448 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [1,1,0,0,0,0|2,0,0]=4 9449 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [1,1,0,0,0,0|1,0,0]=3 9450 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [1,1,0,0,0,0|1,0,0]=3 9451 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [1,1,0,0,0,0|2,0,0]=4 9452 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [1,1,0,0,0,0|2,0,0]=4 9453 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [1,1,0,0,0,0|2,0,0]=4 9454 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [1,1,0,0,0,0|2,0,0]=4 9455 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [1,1,0,0,0,0|2,0,0]=4 9456 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [1,1,0,0,0,0|2,0,0]=4 9457 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [1,1,0,0,0,0|2,0,0]=4 9458 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [1,1,0,0,0,0|2,0,0]=4 9459 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [1,1,0,0,0,0|2,0,0]=4 9460 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [1,1,0,0,0,0|2,0,0]=4 9461 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [1,1,0,0,0,0|2,0,0]=4 9462 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [1,1,0,0,0,0|2,0,0]=4 9463 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [1,1,0,0,0,0|2,0,0]=4 9464 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [1,1,0,0,0,0|2,0,0]=4 9465 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [1,1,0,0,0,0|2,0,0]=4 9466 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [1,1,0,0,0,0|2,0,0]=4 9467 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [1,1,0,0,0,0|2,0,0]=4 9468 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [1,1,0,0,0,0|2,0,0]=4 9469 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [1,1,0,0,0,0|2,0,0]=4 9470 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [1,1,0,0,0,0|1,0,1]=4 9471 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [1,1,0,0,0,0|1,0,1]=4 9472 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [1,1,0,0,0,0|1,0,1]=4 9473 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [1,1,0,0,0,0|1,0,0]=3 9474 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [1,1,0,0,0,0|1,0,0]=3 9475 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [1,1,0,0,0,0|1,0,0]=3 9476 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [1,1,0,0,0,0|2,0,0]=4 9477 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [1,1,0,0,0,0|2,0,0]=4 9478 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [1,1,0,0,0,0|1,0,0]=3 9479 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [1,1,0,0,0,0|2,0,0]=4 9480 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 9481 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 9482 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 9483 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [1,1,0,0,0,0|1,0,0]=3 9484 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [1,1,0,0,0,0|1,0,1]=4 9485 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [1,1,0,0,0,0|1,0,1]=4 9486 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [1,1,0,0,0,0|1,0,1]=4 9487 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 9488 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 9489 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 9490 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [1,1,0,0,0,0|2,0,0]=4 9491 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [1,1,0,0,0,0|2,0,0]=4 9492 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [1,1,0,0,0,0|2,0,0]=4 9493 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 9494 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 9495 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [1,1,0,0,0,0|2,0,0]=4 9496 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [1,1,0,0,0,0|2,0,0]=4 9497 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [1,1,0,0,0,0|2,0,0]=4 9498 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [1,1,0,0,0,0|2,0,0]=4 9499 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [1,1,0,0,0,0|1,0,0]=3 9500 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [1,1,0,0,0,0|2,0,0]=4 9501 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [1,1,0,0,0,0|2,0,0]=4 9502 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [1,1,0,0,0,0|1,0,0]=3 9503 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [1,1,0,0,0,0|1,0,0]=3 9504 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [1,1,0,0,0,0|2,0,0]=4 9505 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [1,1,0,0,0,0|2,0,0]=4 9506 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [1,1,0,0,0,0|1,0,0]=3 9507 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [1,1,0,0,0,0|1,0,0]=3 9508 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [1,1,0,0,0,0|2,0,0]=4 9509 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [1,1,0,0,0,0|2,0,0]=4 9510 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [1,1,0,0,0,0|1,0,0]=3 9511 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [1,1,0,0,0,0|1,0,0]=3 9512 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [1,1,0,0,0,0|2,0,0]=4 9513 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [1,1,0,0,0,0|2,0,0]=4 9514 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [1,1,0,0,0,0|2,0,0]=4 9515 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [1,1,0,0,0,0|1,0,0]=3 9516 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [1,1,0,0,0,0|2,0,0]=4 9517 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [1,1,0,0,0,0|2,0,0]=4 9518 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [1,1,0,0,0,0|1,0,0]=3 9519 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [1,1,0,0,0,0|1,0,0]=3 9520 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [1,1,0,0,0,0|2,0,0]=4 9521 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [1,1,0,0,0,0|2,0,0]=4 9522 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [1,1,0,0,0,0|2,0,0]=4 9523 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [1,1,0,0,0,0|2,0,0]=4 9524 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [1,1,0,0,0,0|2,0,0]=4 9525 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [1,1,0,0,0,0|2,0,0]=4 9526 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [1,1,0,0,0,0|2,0,0]=4 9527 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [1,1,0,0,0,0|2,0,0]=4 9528 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [1,1,0,0,0,0|2,0,0]=4 9529 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [1,1,0,0,0,0|2,0,0]=4 9530 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [1,1,0,0,0,0|2,0,0]=4 9531 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [1,1,0,0,0,0|2,0,0]=4 9532 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [1,1,0,0,0,0|2,0,0]=4 9533 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [1,1,0,0,0,0|2,0,0]=4 9534 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [1,1,0,0,0,0|2,0,0]=4 9535 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [1,1,0,0,0,0|1,0,0]=3 9536 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [1,1,0,0,0,0|1,0,0]=3 9537 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [1,1,0,0,0,0|1,0,0]=3 9538 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [1,1,0,0,0,0|2,0,0]=4 9539 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [1,1,0,0,0,0|2,0,0]=4 9540 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [1,1,0,0,0,0|2,0,0]=4 9541 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 9542 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 9543 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 9544 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [1,1,0,0,0,0|2,0,0]=4 9545 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [1,1,0,0,0,0|1,0,0]=3 9546 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [1,1,0,0,0,0|2,0,0]=4 9547 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [1,1,0,0,0,0|2,0,0]=4 9548 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [1,1,0,0,0,0|2,0,0]=4 9549 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [1,1,0,0,0,0|2,0,0]=4 9550 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [1,1,0,0,0,0|2,0,0]=4 9551 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [1,1,0,0,0,0|2,0,0]=4 9552 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [1,1,0,0,0,0|2,0,0]=4 9553 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [1,1,0,0,0,0|1,0,0]=3 9554 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [1,1,0,0,0,0|1,0,0]=3 9555 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [1,1,0,0,0,0|2,0,0]=4 9556 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [1,1,0,0,0,0|2,0,0]=4 9557 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [1,1,0,0,0,0|2,0,0]=4 9558 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [1,1,0,0,0,0|2,0,0]=4 9559 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [1,1,0,0,0,0|2,0,0]=4 9560 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [1,1,0,0,0,0|2,0,0]=4 9561 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [1,1,0,0,0,0|2,0,0]=4 9562 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [1,1,0,0,0,0|2,0,0]=4 9563 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [1,1,0,0,0,0|2,0,0]=4 9564 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [1,1,0,0,0,0|1,0,1]=4 9565 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [1,1,0,0,0,0|2,0,0]=4 9566 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [1,1,0,0,0,0|2,0,0]=4 9567 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [1,1,0,0,0,0|2,0,0]=4 9568 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [1,1,0,0,0,0|2,0,0]=4 9569 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [1,1,0,0,0,0|2,0,0]=4 9570 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [1,1,0,0,0,0|2,0,0]=4 9571 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [1,1,0,0,0,0|2,0,0]=4 9572 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [1,1,0,0,0,0|1,0,0]=3 9573 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [1,1,0,0,0,0|1,0,0]=3 9574 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [1,1,0,0,0,0|2,0,0]=4 9575 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [1,1,0,0,0,0|2,0,0]=4 9576 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [1,1,0,0,0,0|1,0,0]=3 9577 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [1,1,0,0,0,0|2,0,0]=4 9578 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 9579 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 9580 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 9581 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [1,1,0,0,0,0|1,0,0]=3 9582 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 9583 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 9584 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 9585 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [1,1,0,0,0,0|2,0,0]=4 9586 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [1,1,0,0,0,0|2,0,0]=4 9587 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [1,1,0,0,0,0|2,0,0]=4 9588 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [1,1,0,0,0,0|2,0,0]=4 9589 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [1,1,0,0,0,0|2,0,0]=4 9590 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [1,1,0,0,0,0|2,0,0]=4 9591 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [1,1,0,0,0,0|2,0,0]=4 9592 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [1,1,0,0,0,0|2,0,0]=4 9593 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [1,1,0,0,0,0|2,0,0]=4 9594 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [1,1,0,0,0,0|2,0,0]=4 9595 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [1,1,0,0,0,0|2,0,0]=4 9596 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [1,1,0,0,0,0|2,0,0]=4 9597 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 9598 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 9599 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 9600 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [1,1,0,0,0,0|2,0,0]=4 9601 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [1,1,0,0,0,0|1,0,1]=4 9602 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [1,1,0,0,0,0|0,0,1]=3 9603 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [1,1,0,0,0,0|1,0,1]=4 9604 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [1,1,0,0,0,0|1,0,1]=4 9605 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [1,1,0,0,0,0|1,0,0]=3 9606 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [1,1,0,0,0,0|2,0,0]=4 9607 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [1,1,0,0,0,0|2,0,0]=4 9608 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [1,1,0,0,0,0|1,0,0]=3 9609 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [1,1,0,0,0,0|1,0,0]=3 9610 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [1,1,0,0,0,0|1,0,0]=3 9611 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [1,1,0,0,0,0|2,0,0]=4 9612 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [1,1,0,0,0,0|2,0,0]=4 9613 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [1,1,0,0,0,0|2,0,0]=4 9614 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [1,1,0,0,0,0|2,0,0]=4 9615 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [1,1,0,0,0,0|2,0,0]=4 9616 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [1,1,0,0,0,0|1,0,0]=3 9617 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [1,1,0,0,0,0|2,0,0]=4 9618 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [1,1,0,0,0,0|2,0,0]=4 9619 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [1,1,0,0,0,0|2,0,0]=4 9620 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [1,1,0,0,0,0|1,0,0]=3 9621 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [1,1,0,0,0,0|1,0,0]=3 9622 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [1,1,0,0,0,0|2,0,0]=4 9623 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [1,1,0,0,0,0|2,0,0]=4 9624 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [1,1,0,0,0,0|2,0,0]=4 9625 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [1,1,0,0,0,0|2,0,0]=4 9626 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [1,1,0,0,0,0|1,0,0]=3 9627 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [1,1,0,0,0,0|1,0,0]=3 9628 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [1,1,0,0,0,0|2,0,0]=4 9629 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [1,1,0,0,0,0|2,0,0]=4 9630 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [1,1,0,0,0,0|1,0,0]=3 9631 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [1,1,0,0,0,0|1,0,0]=3 9632 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [1,1,0,0,0,0|1,0,0]=3 9633 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [1,1,0,0,0,0|1,0,0]=3 9634 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [1,1,0,0,0,0|1,0,1]=4 9635 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [1,1,0,0,0,0|1,0,1]=4 9636 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [1,1,0,0,0,0|1,0,1]=4 9637 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [1,1,0,0,0,0|1,0,0]=3 9638 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [1,1,0,0,0,0|1,0,0]=3 9639 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [1,1,0,0,0,0|1,0,0]=3 9640 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [1,1,0,0,0,0|1,0,1]=4 9641 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [1,1,0,0,0,0|1,0,1]=4 9642 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [1,1,0,0,0,0|1,0,1]=4 9643 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [1,1,0,0,0,0|1,0,1]=4 9644 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [1,1,0,0,0,0|2,0,0]=4 9645 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [1,1,0,0,0,0|2,0,0]=4 9646 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [1,1,0,0,0,0|2,0,0]=4 9647 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [1,1,0,0,0,0|2,0,0]=4 9648 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [1,1,0,0,0,0|2,0,0]=4 9649 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [1,1,0,0,0,0|2,0,0]=4 9650 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [1,1,0,0,0,0|2,0,0]=4 9651 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [1,1,0,0,0,0|2,0,0]=4 9652 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [1,1,0,0,0,0|2,0,0]=4 9653 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [1,1,0,0,0,0|2,0,0]=4 9654 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [1,1,0,0,0,0|2,0,0]=4 9655 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [1,1,0,0,0,0|2,0,0]=4 9656 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [1,1,0,0,0,0|2,0,0]=4 9657 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [1,1,0,0,0,0|2,0,0]=4 9658 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [1,1,0,0,0,0|2,0,0]=4 9659 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [1,1,0,0,0,0|2,0,0]=4 9660 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [1,1,0,0,0,0|2,0,0]=4 9661 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [1,1,0,0,0,0|2,0,0]=4 9662 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [1,1,0,0,0,0|2,0,0]=4 9663 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [1,1,0,0,0,0|2,0,0]=4 9664 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [1,1,0,0,0,0|2,0,0]=4 9665 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [1,1,0,0,0,0|2,0,0]=4 9666 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [1,1,0,0,0,0|2,0,0]=4 9667 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [1,1,0,0,0,0|2,0,0]=4 9668 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [1,1,0,0,0,0|2,0,0]=4 9669 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [1,1,0,0,0,0|2,0,0]=4 9670 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [1,1,0,0,0,0|2,0,0]=4 9671 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [1,1,0,0,0,0|2,0,0]=4 9672 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [1,1,0,0,0,0|2,0,0]=4 9673 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [1,1,0,0,0,0|2,0,0]=4 9674 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [1,1,0,0,0,0|2,0,0]=4 9675 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [1,1,0,0,0,0|2,0,0]=4 9676 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [1,1,0,0,0,0|1,0,1]=4 9677 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [1,1,0,0,0,0|1,0,1]=4 9678 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [1,1,0,0,0,0|1,0,1]=4 9679 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [1,1,0,0,0,0|1,0,1]=4 9680 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [1,1,0,0,0,0|1,0,1]=4 9681 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [1,1,0,0,0,0|1,0,1]=4 9682 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [1,1,0,0,0,0|1,0,1]=4 9683 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [1,1,0,0,0,0|1,0,1]=4 9684 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [1,1,0,0,0,0|1,0,0]=3 9685 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [1,1,0,0,0,0|2,0,0]=4 9686 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [1,1,0,0,0,0|2,0,0]=4 9687 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [1,1,0,0,0,0|2,0,0]=4 9688 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [1,1,0,0,0,0|1,0,0]=3 9689 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [1,1,0,0,0,0|2,0,0]=4 9690 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [1,1,0,0,0,0|2,0,0]=4 9691 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [1,1,0,0,0,0|1,0,0]=3 9692 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [1,1,0,0,0,0|2,0,0]=4 9693 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 9694 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 9695 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 9696 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [1,1,0,0,0,0|2,0,0]=4 9697 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [1,1,0,0,0,0|2,0,0]=4 9698 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [1,1,0,0,0,0|2,0,0]=4 9699 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 9700 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 9701 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [1,1,0,0,0,0|1,0,1]=4 9702 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [1,1,0,0,0,0|2,0,0]=4 9703 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [1,1,0,0,0,0|2,0,0]=4 9704 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [1,1,0,0,0,0|2,0,0]=4 9705 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [1,1,0,0,0,0|1,0,0]=3 9706 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [1,1,0,0,0,0|1,0,0]=3 9707 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [1,1,0,0,0,0|1,1,0]=4 9708 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [1,1,0,0,0,0|2,0,0]=4 9709 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [1,1,0,0,0,0|2,0,0]=4 9710 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [1,1,0,0,0,0|1,0,0]=3 9711 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [1,1,0,0,0,0|1,0,0]=3 9712 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [1,1,0,0,0,0|1,0,0]=3 9713 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [1,1,0,0,0,0|1,0,0]=3 9714 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [1,1,0,0,0,0|1,0,0]=3 9715 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [1,1,0,0,0,0|2,0,0]=4 9716 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [1,1,0,0,0,0|2,0,0]=4 9717 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [1,1,0,0,0,0|1,0,0]=3 9718 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [1,1,0,0,0,0|1,0,0]=3 9719 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [1,1,0,0,0,0|1,0,0]=3 9720 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [1,1,0,0,0,0|1,0,0]=3 9721 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [1,1,0,0,0,0|1,0,1]=4 9722 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [1,1,0,0,0,0|1,0,1]=4 9723 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [1,1,0,0,0,0|2,0,0]=4 9724 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [1,1,0,0,0,0|2,0,0]=4 9725 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [1,1,0,0,0,0|2,0,0]=4 9726 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [1,1,0,0,0,0|2,0,0]=4 9727 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [1,1,0,0,0,0|2,0,0]=4 9728 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [1,1,0,0,0,0|2,0,0]=4 9729 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [1,1,0,0,0,0|2,0,0]=4 9730 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [1,1,0,0,0,0|2,0,0]=4 9731 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [1,1,0,0,0,0|2,0,0]=4 9732 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [1,1,0,0,0,0|2,0,0]=4 9733 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [1,1,0,0,0,0|2,0,0]=4 9734 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [1,1,0,0,0,0|2,0,0]=4 9735 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [1,1,0,0,0,0|2,0,0]=4 9736 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [1,1,0,0,0,0|2,0,0]=4 9737 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [1,1,0,0,0,0|2,0,0]=4 9738 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [1,1,0,0,0,0|2,0,0]=4 9739 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [1,1,0,0,0,0|2,0,0]=4 9740 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [1,1,0,0,0,0|2,0,0]=4 9741 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [1,1,0,0,0,0|2,0,0]=4 9742 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [1,1,0,0,0,0|2,0,0]=4 9743 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [1,1,0,0,0,0|2,0,0]=4 9744 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [1,1,0,0,0,0|2,0,0]=4 9745 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [1,1,0,0,0,0|2,0,0]=4 9746 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [1,1,0,0,0,0|2,0,0]=4 9747 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [1,1,0,0,0,0|2,0,0]=4 9748 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [1,1,0,0,0,0|2,0,0]=4 9749 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [1,1,0,0,0,0|2,0,0]=4 9750 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [1,1,0,0,0,0|2,0,0]=4 9751 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [1,1,0,0,0,0|2,0,0]=4 9752 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [1,1,0,0,0,0|2,0,0]=4 9753 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [1,1,0,0,0,0|2,0,0]=4 9754 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [1,1,0,0,0,0|2,0,0]=4 9755 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [1,1,0,0,0,0|2,0,0]=4 9756 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [1,1,0,0,0,0|2,0,0]=4 9757 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [1,1,0,0,0,0|2,0,0]=4 9758 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [1,1,0,0,0,0|2,0,0]=4 9759 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [1,1,0,0,0,0|2,0,0]=4 9760 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [1,1,0,0,0,0|2,0,0]=4 9761 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [1,1,0,0,0,0|2,0,0]=4 9762 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [1,1,0,0,0,0|2,0,0]=4 9763 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [1,1,0,0,0,0|2,0,0]=4 9764 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [1,1,0,0,0,0|2,0,0]=4 9765 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [1,1,0,0,0,0|2,0,0]=4 9766 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [1,1,0,0,0,0|2,0,0]=4 9767 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [1,1,0,0,0,0|2,0,0]=4 9768 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [1,1,0,0,0,0|2,0,0]=4 9769 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [1,1,0,0,0,0|2,0,0]=4 9770 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [1,1,0,0,0,0|2,0,0]=4 9771 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [1,1,0,0,0,0|2,0,0]=4 9772 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [1,1,0,0,0,0|2,0,0]=4 9773 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [1,1,0,0,0,0|2,0,0]=4 9774 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [1,1,0,0,0,0|2,0,0]=4 9775 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [1,1,0,0,0,0|2,0,0]=4 9776 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [1,1,0,0,0,0|2,0,0]=4 9777 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [1,1,0,0,0,0|2,0,0]=4 9778 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [1,1,0,0,0,0|2,0,0]=4 9779 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [1,1,0,0,0,0|2,0,0]=4 9780 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [1,1,0,0,0,0|2,0,0]=4 9781 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [1,1,0,0,0,0|2,0,0]=4 9782 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [1,1,0,0,0,0|2,0,0]=4 9783 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [1,1,0,0,0,0|2,0,0]=4 9784 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [1,1,0,0,0,0|2,0,0]=4 9785 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [1,1,0,0,0,0|2,0,0]=4 9786 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [1,1,0,0,0,0|2,0,0]=4 9787 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [1,1,0,0,0,0|2,0,0]=4 9788 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [1,1,0,0,0,0|2,0,0]=4 9789 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [1,1,0,0,0,0|2,0,0]=4 9790 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [1,1,0,0,0,0|2,0,0]=4 9791 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [1,1,0,0,0,0|2,0,0]=4 9792 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [1,1,0,0,0,0|1,0,1]=4 9793 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [1,1,0,0,0,0|1,0,1]=4 9794 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [1,1,0,0,0,0|1,0,1]=4 9795 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [1,1,0,0,0,0|1,0,1]=4 9796 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [1,1,0,0,0,0|1,0,1]=4 9797 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [1,1,0,0,0,0|1,0,1]=4 9798 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [1,1,0,0,0,0|1,0,1]=4 9799 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [1,1,0,0,0,0|0,0,1]=3 9800 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [1,1,0,0,0,0|0,0,1]=3 9801 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 9802 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 9803 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 9804 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [1,1,0,0,0,0|2,0,0]=4 9805 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [1,1,0,0,0,0|2,0,0]=4 9806 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [1,1,0,0,0,0|2,0,0]=4 9807 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [1,1,0,0,0,0|2,0,0]=4 9808 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [1,1,0,0,0,0|2,0,0]=4 9809 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [1,1,0,0,0,0|2,0,0]=4 9810 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [1,1,0,0,0,0|2,0,0]=4 9811 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [1,1,0,0,0,0|2,0,0]=4 9812 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [1,1,0,0,0,0|2,0,0]=4 9813 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [1,1,0,0,0,0|2,0,0]=4 9814 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [1,1,0,0,0,0|2,0,0]=4 9815 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [1,1,0,0,0,0|2,0,0]=4 9816 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [1,1,0,0,0,0|2,0,0]=4 9817 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [1,1,0,0,0,0|1,0,0]=3 9818 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [1,1,0,0,0,0|1,0,0]=3 9819 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [1,1,0,0,0,0|1,0,0]=3 9820 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [1,1,0,0,0,0|1,0,1]=4 9821 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [1,1,0,0,0,0|1,0,0]=3 9822 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [1,1,0,0,0,0|1,0,0]=3 9823 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [1,1,0,0,0,0|1,0,0]=3 9824 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [1,1,0,0,0,0|1,0,0]=3 9825 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [1,1,0,0,0,0|1,0,0]=3 9826 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [1,1,0,0,0,0|1,0,0]=3 9827 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [1,1,0,0,0,0|2,0,0]=4 9828 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [1,1,0,0,0,0|2,0,0]=4 9829 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [1,1,0,0,0,0|1,0,1]=4 9830 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [1,1,0,0,0,0|1,0,0]=3 9831 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [1,1,0,0,0,0|1,0,1]=4 9832 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [1,1,0,0,0,0|1,0,1]=4 9833 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [1,1,0,0,0,0|1,0,1]=4 9834 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [1,1,0,0,0,0|1,0,0]=3 9835 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [1,1,0,0,0,0|1,0,0]=3 9836 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [1,1,0,0,0,0|1,0,1]=4 9837 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [1,1,0,0,0,0|1,0,1]=4 9838 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [1,1,0,0,0,0|1,0,1]=4 9839 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [1,1,0,0,0,0|1,0,1]=4 9840 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [1,1,0,0,0,0|1,0,1]=4 9841 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [1,1,0,0,0,0|1,0,1]=4 9842 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [1,1,0,0,0,0|1,0,1]=4 9843 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [1,1,0,0,0,0|1,0,1]=4 9844 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [1,1,0,0,0,0|2,0,0]=4 9845 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [1,1,0,0,0,0|2,0,0]=4 9846 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [1,1,0,0,0,0|2,0,0]=4 9847 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [1,1,0,0,0,0|2,0,0]=4 9848 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [1,1,0,0,0,0|2,0,0]=4 9849 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [1,1,0,0,0,0|2,0,0]=4 9850 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [1,1,0,0,0,0|2,0,0]=4 9851 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [1,1,0,0,0,0|2,0,0]=4 9852 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [1,1,0,0,0,0|2,0,0]=4 9853 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [1,1,0,0,0,0|2,0,0]=4 9854 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [1,1,0,0,0,0|2,0,0]=4 9855 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [1,1,0,0,0,0|2,0,0]=4 9856 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [1,1,0,0,0,0|2,0,0]=4 9857 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [1,1,0,0,0,0|2,0,0]=4 9858 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [1,1,0,0,0,0|2,0,0]=4 9859 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [1,1,0,0,0,0|2,0,0]=4 9860 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [1,1,0,0,0,0|2,0,0]=4 9861 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [1,1,0,0,0,0|2,0,0]=4 9862 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [1,1,0,0,0,0|2,0,0]=4 9863 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [1,1,0,0,0,0|2,0,0]=4 9864 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [1,1,0,0,0,0|2,0,0]=4 9865 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [1,1,0,0,0,0|2,0,0]=4 9866 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [1,1,0,0,0,0|2,0,0]=4 9867 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [1,1,0,0,0,0|2,0,0]=4 9868 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [1,1,0,0,0,0|2,0,0]=4 9869 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [1,1,0,0,0,0|2,0,0]=4 9870 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [1,1,0,0,0,0|2,0,0]=4 9871 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [1,1,0,0,0,0|2,0,0]=4 9872 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [1,1,0,0,0,0|2,0,0]=4 9873 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [1,1,0,0,0,0|2,0,0]=4 9874 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [1,1,0,0,0,0|2,0,0]=4 9875 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [1,1,0,0,0,0|2,0,0]=4 9876 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [1,1,0,0,0,0|2,0,0]=4 9877 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [1,1,0,0,0,0|2,0,0]=4 9878 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [1,1,0,0,0,0|2,0,0]=4 9879 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [1,1,0,0,0,0|2,0,0]=4 9880 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [1,1,0,0,0,0|1,0,1]=4 9881 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [1,1,0,0,0,0|1,0,1]=4 9882 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [1,1,0,0,0,0|2,0,0]=4 9883 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [1,1,0,0,0,0|2,0,0]=4 9884 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [1,1,0,0,0,0|2,0,0]=4 9885 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [1,1,0,0,0,0|2,0,0]=4 9886 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [1,1,0,0,0,0|2,0,0]=4 9887 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [1,1,0,0,0,0|2,0,0]=4 9888 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [1,1,0,0,0,0|2,0,0]=4 9889 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [1,1,0,0,0,0|2,0,0]=4 9890 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [1,1,0,0,0,0|2,0,0]=4 9891 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [1,1,0,0,0,0|2,0,0]=4 9892 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [1,1,0,0,0,0|2,0,0]=4 9893 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [1,1,0,0,0,0|2,0,0]=4 9894 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [1,1,0,0,0,0|2,0,0]=4 9895 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [1,1,0,0,0,0|2,0,0]=4 9896 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [1,1,0,0,0,0|2,0,0]=4 9897 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [1,1,0,0,0,0|2,0,0]=4 9898 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [1,1,0,0,0,0|2,0,0]=4 9899 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [1,1,0,0,0,0|2,0,0]=4 9900 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [1,1,0,0,0,0|2,0,0]=4 9901 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [1,1,0,0,0,0|2,0,0]=4 9902 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [1,1,0,0,0,0|0,0,1]=3 9903 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [1,1,0,0,0,0|0,0,1]=3 9904 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [1,1,0,0,0,0|1,0,1]=4 9905 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [1,1,0,0,0,0|1,0,1]=4 9906 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [1,1,0,0,0,0|1,0,1]=4 9907 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [1,1,0,0,0,0|1,0,1]=4 9908 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [1,1,0,0,0,0|1,0,1]=4 9909 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [1,1,0,0,0,0|1,0,1]=4 9910 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [1,1,0,0,0,0|1,0,0]=3 9911 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [1,1,0,0,0,0|1,0,0]=3 9912 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [1,1,0,0,0,0|1,0,1]=4 9913 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [1,1,0,0,0,0|1,0,0]=3 9914 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [1,1,0,0,0,0|2,0,0]=4 9915 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [1,1,0,0,0,0|1,0,0]=3 9916 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [1,1,0,0,0,0|1,0,0]=3 9917 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [1,1,0,0,0,0|2,0,0]=4 9918 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [1,1,0,0,0,0|2,0,0]=4 9919 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [1,1,0,0,0,0|2,0,0]=4 9920 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [1,1,0,0,0,0|2,0,0]=4 9921 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [1,1,0,0,0,0|1,0,0]=3 9922 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [1,1,0,0,0,0|1,0,0]=3 9923 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [1,1,0,0,0,0|2,0,0]=4 9924 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [1,1,0,0,0,0|2,0,0]=4 9925 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [1,1,0,0,0,0|2,0,0]=4 9926 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [1,1,0,0,0,0|2,0,0]=4 9927 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [1,1,0,0,0,0|2,0,0]=4 9928 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [1,1,0,0,0,0|1,0,0]=3 9929 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [1,1,0,0,0,0|2,0,0]=4 9930 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [1,1,0,0,0,0|1,0,0]=3 9931 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [1,1,0,0,0,0|2,0,0]=4 9932 B12R0.276 CCOC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000765890 [1,1,0,0,0,0|2,0,0]=4 9933 B12R0.276 CCOC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011206558 [1,1,0,0,0,0|2,0,0]=4 9934 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [1,1,0,0,0,0|1,0,1]=4 9935 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [1,1,0,0,0,0|2,0,0]=4 9936 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [1,1,0,0,0,0|2,0,0]=4 9937 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [1,1,0,0,0,0|2,0,0]=4 9938 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [1,1,0,0,0,0|1,0,0]=3 9939 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [1,1,0,0,0,0|2,0,0]=4 9940 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [1,1,0,0,0,0|1,0,1]=4 9941 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [1,1,0,0,0,0|1,0,1]=4 9942 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [1,1,0,0,0,0|1,0,0]=3 9943 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [1,1,0,0,0,0|1,0,0]=3 9944 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [1,1,0,0,0,0|1,0,0]=3 9945 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [1,1,0,0,0,0|1,0,0]=3 9946 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100000765890_100011219619 [1,1,0,0,0,0|2,0,0]=4 9947 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100011219619_100000765890 [1,1,0,0,0,0|2,0,0]=4 9948 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [1,1,0,0,0,0|1,0,0]=3 9949 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [1,1,0,0,0,0|1,0,0]=3 9950 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [1,1,0,0,0,0|2,0,0]=4 9951 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [1,1,0,0,0,0|2,0,0]=4 9952 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100000765890_100015614560 [1,1,0,0,0,0|2,0,0]=4 9953 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000765890 [1,1,0,0,0,0|2,0,0]=4 9954 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100000765890_100009815848 [1,1,0,0,0,0|2,0,0]=4 9955 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000765890 [1,1,0,0,0,0|2,0,0]=4 9956 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [1,1,0,0,0,0|1,0,0]=3 9957 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [1,1,0,0,0,0|2,0,0]=4 9958 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [1,1,0,0,0,0|2,0,0]=4 9959 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [1,1,0,0,0,0|1,0,1]=4 9960 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [1,1,0,0,0,0|1,0,0]=3 9961 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [1,1,0,0,0,0|2,0,0]=4 9962 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [1,1,0,0,0,0|2,0,0]=4 9963 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [1,1,0,0,0,0|2,0,0]=4 9964 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [1,1,0,0,0,0|2,0,0]=4 9965 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [1,1,0,0,0,0|2,0,0]=4 9966 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [1,1,0,0,0,0|2,0,0]=4 9967 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [1,1,0,0,0,0|2,0,0]=4 9968 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [1,1,0,0,0,0|2,0,0]=4 9969 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [1,1,0,0,0,0|2,0,0]=4 9970 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [1,1,0,0,0,0|1,0,1]=4 9971 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [1,1,0,0,0,0|1,0,1]=4 9972 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [1,1,0,0,0,0|1,0,1]=4 9973 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [1,1,0,0,0,0|1,0,1]=4 9974 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [1,1,0,0,0,0|1,0,1]=4 9975 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100000748629_100009991533 [1,1,0,0,0,0|1,0,1]=4 9976 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100009991533_100000211660 [1,1,0,0,0,0|1,0,1]=4 9977 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [1,1,0,0,0,0|1,0,1]=4 9978 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [1,1,0,0,0,0|2,0,0]=4 9979 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [1,1,0,0,0,0|2,0,0]=4 9980 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [1,1,0,0,0,0|2,0,0]=4 9981 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [1,1,0,0,0,0|1,0,1]=4 9982 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [1,1,0,0,0,0|1,0,0]=3 9983 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [1,1,0,0,0,0|1,0,0]=3 9984 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [1,1,0,0,0,0|2,0,0]=4 9985 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [1,1,0,0,0,0|2,0,0]=4 9986 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [1,1,0,0,0,0|2,0,0]=4 9987 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [1,1,0,0,0,0|2,0,0]=4 9988 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [1,1,0,0,0,0|2,0,0]=4 9989 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [1,1,0,0,0,0|2,0,0]=4 9990 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [1,1,0,0,0,0|1,0,0]=3 9991 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [1,1,0,0,0,0|1,0,0]=3 9992 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [1,1,0,0,0,0|1,0,0]=3 9993 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [1,1,0,0,0,0|2,0,0]=4 9994 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [1,1,0,0,0,0|2,0,0]=4 9995 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [1,1,0,0,0,0|2,0,0]=4 9996 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [1,1,0,0,0,0|2,0,0]=4 9997 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [1,1,0,0,0,0|2,0,0]=4 9998 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [1,1,0,0,0,0|2,0,0]=4 9999 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [1,1,0,0,0,0|2,0,0]=4 10000 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [1,1,0,0,0,0|2,0,0]=4 10001 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [1,1,0,0,0,0|2,0,0]=4 10002 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [1,1,0,0,0,0|2,0,0]=4 10003 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [1,1,0,0,0,0|2,0,0]=4 10004 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [1,1,0,0,0,0|2,0,0]=4 10005 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [1,1,0,0,0,0|2,0,0]=4 10006 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [1,1,0,0,0,0|2,0,0]=4 10007 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [1,1,0,0,0,0|2,0,0]=4 10008 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [1,1,0,0,0,0|2,0,0]=4 10009 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [1,1,0,0,0,0|2,0,0]=4 10010 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [1,1,0,0,0,0|2,0,0]=4 10011 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [1,1,0,0,0,0|2,0,0]=4 10012 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [1,1,0,0,0,0|0,0,1]=3 10013 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [1,1,0,0,0,0|0,0,1]=3 10014 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [1,1,0,0,0,0|0,0,1]=3 10015 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [1,1,0,0,0,0|1,0,0]=3 10016 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [1,1,0,0,0,0|1,0,0]=3 10017 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [1,1,0,0,0,0|1,0,1]=4 10018 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [1,1,0,0,0,0|1,0,0]=3 10019 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [1,1,0,0,0,0|1,0,0]=3 10020 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [1,1,0,0,0,0|1,0,0]=3 10021 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [1,1,0,0,0,0|1,0,0]=3 10022 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [1,1,0,0,0,0|1,0,0]=3 10023 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [1,1,0,0,0,0|1,0,0]=3 10024 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [1,1,0,0,0,0|1,0,0]=3 10025 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [1,1,0,0,0,0|1,0,0]=3 10026 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [1,1,0,0,0,0|1,0,0]=3 10027 B12R0.277 CCOC(=O)CCCNCC(F)F 34a_100000765723_100009991533 [1,1,0,0,0,0|2,0,0]=4 10028 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [1,1,0,0,0,0|1,0,1]=4 10029 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [1,1,0,0,0,0|1,0,0]=3 10030 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [1,1,0,0,0,0|1,0,0]=3 10031 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [1,1,0,0,0,0|1,0,0]=3 10032 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [1,1,0,0,0,0|1,0,0]=3 10033 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [1,1,0,0,0,0|1,0,0]=3 10034 B12R0.277 CCOC(=O)CCCOCC(F)F 34a_100000743014_100009991533 [1,1,0,0,0,0|2,0,0]=4 10035 B12R0.277 CCOC(=O)CCCOCC(F)F 7a_100012001163_100011934356 [1,1,0,0,0,0|2,0,0]=4 10036 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [1,1,0,0,0,0|1,0,0]=3 10037 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [1,1,0,0,0,0|1,0,0]=3 10038 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [1,1,0,0,0,0|1,0,0]=3 10039 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [1,1,0,0,0,0|1,0,0]=3 10040 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [1,1,0,0,0,0|1,0,0]=3 10041 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [1,1,0,0,0,0|1,0,0]=3 10042 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [1,1,0,0,0,0|1,0,0]=3 10043 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100009991533_100011934356 [1,1,0,0,0,0|2,0,0]=4 10044 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100011934356_100009991533 [1,1,0,0,0,0|2,0,0]=4 10045 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [1,1,0,0,0,0|1,0,0]=3 10046 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [1,1,0,0,0,0|1,0,0]=3 10047 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [1,1,0,0,0,0|1,0,0]=3 10048 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [1,1,0,0,0,0|1,0,1]=4 10049 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [1,1,0,0,0,0|1,0,1]=4 10050 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [1,1,0,0,0,0|1,0,0]=3 10051 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [1,1,0,0,0,0|1,0,0]=3 10052 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [1,1,0,0,0,0|1,0,0]=3 10053 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [1,1,0,0,0,0|2,0,0]=4 10054 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [1,1,0,0,0,0|1,0,0]=3 10055 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [1,1,0,0,0,0|1,0,1]=4 10056 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [1,1,0,0,0,0|1,0,1]=4 10057 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [1,1,0,0,0,0|1,0,0]=3 10058 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [1,1,0,0,0,0|1,0,0]=3 10059 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [1,1,0,0,0,0|1,0,0]=3 10060 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [1,1,0,0,0,0|1,0,0]=3 10061 B12R0.277 CCOC(=O)CCSCCN(C)C 62a_100000765890_100000755713 [1,1,0,0,0,0|2,0,0]=4 10062 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [1,1,0,0,0,0|2,0,0]=4 10063 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [1,1,0,0,0,0|2,0,0]=4 10064 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [1,1,0,0,0,0|1,0,0]=3 10065 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [1,1,0,0,0,0|1,0,0]=3 10066 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [1,1,0,0,0,0|2,0,0]=4 10067 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [1,1,0,0,0,0|2,0,0]=4 10068 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [1,1,0,0,0,0|2,0,0]=4 10069 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [1,1,0,0,0,0|2,0,0]=4 10070 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [1,1,0,0,0,0|2,0,0]=4 10071 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [1,1,0,0,0,0|1,0,1]=4 10072 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [1,1,0,0,0,0|1,0,1]=4 10073 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [1,1,0,0,0,0|1,0,1]=4 10074 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [1,1,0,0,0,0|1,0,0]=3 10075 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [1,1,0,0,0,0|1,0,0]=3 10076 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [1,1,0,0,0,0|2,0,0]=4 10077 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [1,1,0,0,0,0|2,0,0]=4 10078 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [1,1,0,0,0,0|2,0,0]=4 10079 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [1,1,0,0,0,0|2,0,0]=4 10080 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [1,1,0,0,0,0|2,0,0]=4 10081 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [1,1,0,0,0,0|2,0,0]=4 10082 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [1,1,0,0,0,0|2,0,0]=4 10083 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [1,1,0,0,0,0|2,0,0]=4 10084 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [1,1,0,0,0,0|2,0,0]=4 10085 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [1,1,0,0,0,0|2,0,0]=4 10086 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [1,1,0,0,0,0|2,0,0]=4 10087 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [1,1,0,0,0,0|2,0,0]=4 10088 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [1,1,0,0,0,0|1,0,1]=4 10089 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [1,1,0,0,0,0|1,0,1]=4 10090 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [1,1,0,0,0,0|1,0,0]=3 10091 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [1,1,0,0,0,0|1,0,0]=3 10092 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [1,1,0,0,0,0|1,0,0]=3 10093 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [1,1,0,0,0,0|1,0,0]=3 10094 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [1,1,0,0,0,0|2,0,0]=4 10095 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [1,1,0,0,0,0|2,0,0]=4 10096 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [1,1,0,0,0,0|2,0,0]=4 10097 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [1,1,0,0,0,0|2,0,0]=4 10098 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [1,1,0,0,0,0|2,0,0]=4 10099 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [1,1,0,0,0,0|2,0,0]=4 10100 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [1,1,0,0,0,0|2,0,0]=4 10101 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [1,1,0,0,0,0|2,0,0]=4 10102 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [1,1,0,0,0,0|2,0,0]=4 10103 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [1,1,0,0,0,0|2,0,0]=4 10104 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [1,1,0,0,0,0|2,0,0]=4 10105 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [1,1,0,0,0,0|2,0,0]=4 10106 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [1,1,0,0,0,0|2,0,0]=4 10107 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [1,1,0,0,0,0|2,0,0]=4 10108 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [1,1,0,0,0,0|2,0,0]=4 10109 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [1,1,0,0,0,0|2,0,0]=4 10110 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [1,1,0,0,0,0|2,0,0]=4 10111 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [1,1,0,0,0,0|1,0,1]=4 10112 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [1,1,0,0,0,0|0,0,1]=3 10113 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [1,1,0,0,0,0|0,0,1]=3 10114 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [1,1,0,0,0,0|1,0,1]=4 10115 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [1,1,0,0,0,0|2,0,0]=4 10116 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [1,1,0,0,0,0|1,0,1]=4 10117 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [1,1,0,0,0,0|1,0,1]=4 10118 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [1,1,0,0,0,0|2,0,0]=4 10119 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [1,1,0,0,0,0|2,0,0]=4 10120 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [1,1,0,0,0,0|1,0,1]=4 10121 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [1,1,0,0,0,0|2,0,0]=4 10122 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [1,1,0,0,0,0|2,0,0]=4 10123 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [1,1,0,0,0,0|2,0,0]=4 10124 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [1,1,0,0,0,0|2,0,0]=4 10125 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [1,1,0,0,0,0|1,0,0]=3 10126 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [1,1,0,0,0,0|1,0,0]=3 10127 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [1,1,0,0,0,0|2,0,0]=4 10128 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [1,1,0,0,0,0|2,0,0]=4 10129 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [1,1,0,0,0,0|1,0,0]=3 10130 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [1,1,0,0,0,0|1,0,0]=3 10131 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [1,1,0,0,0,0|2,0,0]=4 10132 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [1,1,0,0,0,0|2,0,0]=4 10133 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [1,1,0,0,0,0|2,0,0]=4 10134 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [1,1,0,0,0,0|1,0,0]=3 10135 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [1,1,0,0,0,0|2,0,0]=4 10136 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [1,1,0,0,0,0|1,0,0]=3 10137 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [1,1,0,0,0,0|1,0,0]=3 10138 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [1,1,0,0,0,0|2,0,0]=4 10139 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [1,1,0,0,0,0|2,0,0]=4 10140 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [1,1,0,0,0,0|1,0,0]=3 10141 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [1,1,0,0,0,0|1,0,0]=3 10142 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [1,1,0,0,0,0|2,0,0]=4 10143 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [1,1,0,0,0,0|1,0,0]=3 10144 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [1,1,0,0,0,0|1,0,0]=3 10145 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [1,1,0,0,0,0|2,0,0]=4 10146 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [1,1,0,0,0,0|2,0,0]=4 10147 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [1,1,0,0,0,0|1,0,0]=3 10148 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [1,1,0,0,0,0|1,0,1]=4 10149 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [1,1,0,0,0,0|1,0,1]=4 10150 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [1,1,0,0,0,0|1,0,1]=4 10151 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [1,1,0,0,0,0|1,0,1]=4 10152 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [1,1,0,0,0,0|1,0,1]=4 10153 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [1,1,0,0,0,0|1,0,1]=4 10154 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [1,1,0,0,0,0|1,0,1]=4 10155 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [1,1,0,0,0,0|1,0,1]=4 10156 B12R0.285 CCOC(=O)CCCN(C)CCO 2230a_100000210263_100009991533 [1,1,0,0,0,0|2,0,0]=4 10157 B12R0.285 CCOC(=O)CCCN(C)CCO 269982a_100000210263_100009991533 [1,1,0,0,0,0|2,0,0]=4 10158 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [1,1,0,0,0,0|2,0,0]=4 10159 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [1,1,0,0,0,0|2,0,0]=4 10160 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [1,1,0,0,0,0|2,0,0]=4 10161 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [1,1,0,0,0,0|2,0,0]=4 10162 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [1,1,0,0,0,0|2,0,0]=4 10163 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [1,1,0,0,0,0|2,0,0]=4 10164 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [1,1,0,0,0,0|2,0,0]=4 10165 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [1,1,0,0,0,0|2,0,0]=4 10166 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [1,1,0,0,0,0|2,0,0]=4 10167 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [1,1,0,0,0,0|2,0,0]=4 10168 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [1,1,0,0,0,0|2,0,0]=4 10169 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [1,1,0,0,0,0|2,0,0]=4 10170 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [1,1,0,0,0,0|2,0,0]=4 10171 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [1,1,0,0,0,0|2,0,0]=4 10172 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [1,1,0,0,0,0|2,0,0]=4 10173 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [1,1,0,0,0,0|1,0,1]=4 10174 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [1,1,0,0,0,0|1,0,1]=4 10175 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [1,1,0,0,0,0|0,0,2]=4 10176 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [1,1,0,0,0,0|0,0,2]=4 10177 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [1,1,0,0,0,0|0,0,2]=4 10178 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [1,1,0,0,0,0|0,0,2]=4 10179 B12R0.57 CCCCCCCCN(CC)CC 2230a_100000724800_100000210759 [1,1,0,0,0,0|2,0,0]=4 10180 B12R0.57 CCCCCCCCN(CC)CC 269956a_100000042499_100000210759 [1,1,0,0,0,0|2,0,0]=4 10181 B12R0.57 CCCCCCCCN(CC)CC 269982a_100000724800_100000210759 [1,1,0,0,0,0|2,0,0]=4 10182 B12R0.57 CCCOCCCCN(CC)N=O 34a_200000035056_100000210303 [1,1,0,0,0,0|2,0,0]=4 10183 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [1,1,0,0,0,0|1,0,1]=4 10184 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [1,1,0,0,0,0|0,0,1]=3 10185 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [1,1,0,0,0,0|0,0,1]=3 10186 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [1,1,0,0,0,0|1,0,1]=4 10187 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [1,1,0,0,0,0|1,0,1]=4 10188 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [1,1,0,0,0,0|1,0,0]=3 10189 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [1,1,0,0,0,0|2,0,0]=4 10190 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [1,1,0,0,0,0|2,0,0]=4 10191 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [1,1,0,0,0,0|1,0,0]=3 10192 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [1,1,0,0,0,0|1,0,0]=3 10193 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [1,1,0,0,0,0|2,0,0]=4 10194 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [1,1,0,0,0,0|2,0,0]=4 10195 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [1,1,0,0,0,0|2,0,0]=4 10196 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [1,1,0,0,0,0|2,0,0]=4 10197 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [1,1,0,0,0,0|1,0,0]=3 10198 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [1,1,0,0,0,0|2,0,0]=4 10199 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [1,1,0,0,0,0|2,0,0]=4 10200 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [1,1,0,0,0,0|2,0,0]=4 10201 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [1,1,0,0,0,0|1,0,0]=3 10202 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [1,1,0,0,0,0|1,0,0]=3 10203 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [1,1,0,0,0,0|2,0,0]=4 10204 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [1,1,0,0,0,0|2,0,0]=4 10205 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [1,1,0,0,0,0|1,0,0]=3 10206 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [1,1,0,0,0,0|1,0,0]=3 10207 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [1,1,0,0,0,0|2,0,0]=4 10208 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [1,1,0,0,0,0|2,0,0]=4 10209 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [1,1,0,0,0,0|2,0,0]=4 10210 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [1,1,0,0,0,0|1,0,0]=3 10211 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [1,1,0,0,0,0|1,0,0]=3 10212 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [1,1,0,0,0,0|1,0,0]=3 10213 B12R0.102 CCCCN(C)CCNC(=O)CC 1626a_200000754967_100000210414 [1,1,0,0,0,0|2,0,0]=4 10214 B12R0.102 CCCCN(C)CCNC(=O)CC 240690a_200000754967_100000210414 [1,1,0,0,0,0|2,0,0]=4 10215 B12R0.102 CCCCN(C)CCNC(=O)CC 527a_200000754967_100000210414 [1,1,0,0,0,0|2,0,0]=4 10216 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [1,1,0,0,0,0|2,0,0]=4 10217 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [1,1,0,0,0,0|1,0,0]=3 10218 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [1,1,0,0,0,0|1,0,1]=4 10219 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [1,1,0,0,0,0|1,0,1]=4 10220 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [1,1,0,0,0,0|1,0,1]=4 10221 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [1,1,0,0,0,0|1,0,1]=4 10222 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [1,1,0,0,0,0|1,0,1]=4 10223 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [1,1,0,0,0,0|1,0,1]=4 10224 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [1,1,0,0,0,0|2,0,0]=4 10225 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [1,1,0,0,0,0|2,0,0]=4 10226 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [1,1,0,0,0,0|1,0,1]=4 10227 B12R0.102 CCOCC(C)OCCC(=O)OC 34a_100000718985_100000742370 [1,1,0,0,0,0|2,0,0]=4 10228 B12R0.102 CCOCC(C)OCCC(=O)OC 7a_100000718985_100000204255 [1,1,0,0,0,0|2,0,0]=4 10229 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [1,1,0,0,0,0|2,0,0]=4 10230 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [1,1,0,0,0,0|2,0,0]=4 10231 B12R0.102 CCOCN(C)CCCC(=O)OC 269982a_100000739225_100000739092 [1,1,0,0,0,0|2,0,0]=4 10232 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [1,1,0,0,0,0|1,0,1]=4 10233 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [1,1,0,0,0,0|1,0,1]=4 10234 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [1,1,0,0,0,0|1,0,1]=4 10235 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [1,1,0,0,0,0|1,0,1]=4 10236 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [1,1,0,0,0,0|1,0,1]=4 10237 B12R0.102 COC(=O)CCCN(C)CCCF 269982a_100000739225_100011934791 [1,1,0,0,0,0|2,0,0]=4 10238 B12R0.102 COC(=O)CCCN(C)CCCO 2230a_100000213112_100011218270 [1,1,0,0,0,0|2,0,0]=4 10239 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000213112_100011218270 [1,1,0,0,0,0|2,0,0]=4 10240 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000739225_100011215043 [1,1,0,0,0,0|2,0,0]=4 10241 B12R0.102 COC(=O)CCCN(C)CCSC 2230a_100000686725_100011218270 [1,1,0,0,0,0|2,0,0]=4 10242 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000686725_100011218270 [1,1,0,0,0,0|2,0,0]=4 10243 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000739225_100000212216 [1,1,0,0,0,0|2,0,0]=4 10244 B12R0.102 COC(=O)CCOC(C)CCCCl 34a_200000718107_100000742370 [1,1,0,0,0,0|2,0,0]=4 10245 B12R0.102 COC(=O)CCOC(C)CCCCl 7a_200000718107_100000204255 [1,1,0,0,0,0|2,0,0]=4 10246 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [1,1,0,0,0,0|2,0,0]=4 10247 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [1,1,0,0,0,0|2,0,0]=4 10248 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [1,1,0,0,0,0|2,0,0]=4 10249 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [1,1,0,0,0,0|1,0,1]=4 10250 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [1,1,0,0,0,0|1,0,1]=4 10251 B12R0.102 COCCN(C)CCCC(=O)OC 2230a_100000743101_100011218270 [1,1,0,0,0,0|2,0,0]=4 10252 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000739225_100000233755 [1,1,0,0,0,0|2,0,0]=4 10253 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000743101_100011218270 [1,1,0,0,0,0|2,0,0]=4 10254 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [1,1,0,0,0,0|1,0,1]=4 10255 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [1,1,0,0,0,0|2,0,0]=4 10256 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [1,1,0,0,0,0|0,0,1]=3 10257 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [1,1,0,0,0,0|1,0,1]=4 10258 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [1,1,0,0,0,0|0,0,1]=3 10259 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [1,1,0,0,0,0|0,0,1]=3 10260 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [1,1,0,0,0,0|1,0,0]=3 10261 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [1,1,0,0,0,0|1,0,0]=3 10262 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [1,1,0,0,0,0|1,0,0]=3 10263 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [1,1,0,0,0,0|1,0,0]=3 10264 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [1,1,0,0,0,0|2,0,0]=4 10265 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [1,1,0,0,0,0|2,0,0]=4 10266 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [1,1,0,0,0,0|2,0,0]=4 10267 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [1,1,0,0,0,0|2,0,0]=4 10268 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [1,1,0,0,0,0|2,0,0]=4 10269 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [1,1,0,0,0,0|2,0,0]=4 10270 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [1,1,0,0,0,0|2,0,0]=4 10271 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [1,1,0,0,0,0|2,0,0]=4 10272 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [1,1,0,0,0,0|1,0,0]=3 10273 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [1,1,0,0,0,0|2,0,0]=4 10274 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [1,1,0,0,0,0|2,0,0]=4 10275 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [1,1,0,0,0,0|2,0,0]=4 10276 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [1,1,0,0,0,0|1,0,0]=3 10277 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [1,1,0,0,0,0|1,0,0]=3 10278 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [1,1,0,0,0,0|1,0,0]=3 10279 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [1,1,0,0,0,0|1,0,1]=4 10280 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [1,1,0,0,0,0|1,0,1]=4 10281 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [1,1,0,0,0,0|1,0,0]=3 10282 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [1,1,0,0,0,0|1,0,0]=3 10283 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [1,1,0,0,0,0|1,0,0]=3 10284 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [1,1,0,0,0,0|1,0,0]=3 10285 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [1,1,0,0,0,0|1,0,0]=3 10286 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [1,1,0,0,0,0|1,0,0]=3 10287 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [1,1,0,0,0,0|1,0,1]=4 10288 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [1,1,0,0,0,0|1,0,1]=4 10289 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [1,1,0,0,0,0|1,0,1]=4 10290 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [1,1,0,0,0,0|2,0,0]=4 10291 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [1,1,0,0,0,0|1,0,0]=3 10292 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [1,1,0,0,0,0|1,0,0]=3 10293 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [1,1,0,0,0,0|1,0,1]=4 10294 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [1,1,0,0,0,0|1,0,1]=4 10295 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [1,1,0,0,0,0|1,0,1]=4 10296 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [1,1,0,0,0,0|1,0,1]=4 10297 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [1,1,0,0,0,0|1,0,0]=3 10298 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [1,1,0,0,0,0|1,0,0]=3 10299 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [1,1,0,0,0,0|1,0,1]=4 10300 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [1,1,0,0,0,0|2,0,0]=4 10301 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [1,1,0,0,0,0|1,0,1]=4 10302 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [1,1,0,0,0,0|2,0,0]=4 10303 B12R0.113 CCOCCNC(C)CC(=O)OC 2230a_102516460346_100009817358 [1,1,0,0,0,0|2,0,0]=4 10304 B12R0.113 CCOCCNC(C)CC(=O)OC 34a_102516460346_100009817358 [1,1,0,0,0,0|2,0,0]=4 10305 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [1,1,0,0,0,0|2,0,0]=4 10306 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [1,1,0,0,0,0|2,0,0]=4 10307 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100000210147_100009817358 [1,1,0,0,0,0|2,0,0]=4 10308 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100009817358_100011215890 [1,1,0,0,0,0|2,0,0]=4 10309 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000739092_100000754131 [1,1,0,0,0,0|2,0,0]=4 10310 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100000739092 [1,1,0,0,0,0|2,0,0]=4 10311 B12R0.113 CCSCCNC(C)CC(=O)OC 2230a_100000106463_100009817358 [1,1,0,0,0,0|2,0,0]=4 10312 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [1,1,0,0,0,0|2,0,0]=4 10313 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [1,1,0,0,0,0|2,0,0]=4 10314 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100000757381_100009817358 [1,1,0,0,0,0|2,0,0]=4 10315 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100009817358_100000757381 [1,1,0,0,0,0|2,0,0]=4 10316 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [1,1,0,0,0,0|2,0,0]=4 10317 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [1,1,0,0,0,0|1,0,1]=4 10318 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [1,1,0,0,0,0|1,0,1]=4 10319 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [1,1,0,0,0,0|1,0,1]=4 10320 B12R0.113 COC(=O)CC(C)NCCCCO 2230a_100000750430_100009817358 [1,1,0,0,0,0|2,0,0]=4 10321 B12R0.113 COC(=O)CC(C)NCCCCO 34a_100000750430_100009817358 [1,1,0,0,0,0|2,0,0]=4 10322 B12R0.113 COC(=O)CC(C)NCCCSC 2230a_100000749238_100009817358 [1,1,0,0,0,0|2,0,0]=4 10323 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [1,1,0,0,0,0|2,0,0]=4 10324 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [1,1,0,0,0,0|2,0,0]=4 10325 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [1,1,0,0,0,0|2,0,0]=4 10326 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [1,1,0,0,0,0|2,0,0]=4 10327 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [1,1,0,0,0,0|2,0,0]=4 10328 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [1,1,0,0,0,0|2,0,0]=4 10329 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [1,1,0,0,0,0|2,0,0]=4 10330 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [1,1,0,0,0,0|2,0,0]=4 10331 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [1,1,0,0,0,0|2,0,0]=4 10332 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100000729493_100009817358 [1,1,0,0,0,0|2,0,0]=4 10333 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100009817358_100000729493 [1,1,0,0,0,0|2,0,0]=4 10334 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100000210776_100009817358 [1,1,0,0,0,0|2,0,0]=4 10335 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100009817358_100000210776 [1,1,0,0,0,0|2,0,0]=4 10336 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [1,1,0,0,0,0|2,0,0]=4 10337 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [1,1,0,0,0,0|2,0,0]=4 10338 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [1,1,0,0,0,0|2,0,0]=4 10339 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [1,1,0,0,0,0|2,0,0]=4 10340 B12R0.113 COC(=O)C[C@@H](O)CNCCCF 34a_100015189416_100000754131 [1,1,0,0,0,0|2,0,0]=4 10341 B12R0.113 COC(=O)C[C@@H](O)COCCCBr 34a_100011217188_100000754131 [1,1,0,0,0,0|2,0,0]=4 10342 B12R0.113 COC(=O)C[C@@H](O)COCCCCl 34a_100000230001_100000754131 [1,1,0,0,0,0|2,0,0]=4 10343 B12R0.113 COC(=O)C[C@@H](O)COCCCF 34a_100000759539_100000754131 [1,1,0,0,0,0|2,0,0]=4 10344 B12R0.113 COC(=O)C[C@@H](O)COCCCN 34a_100000182051_100000754131 [1,1,0,0,0,0|2,0,0]=4 10345 B12R0.113 COC(=O)C[C@@H](O)COCCSC 34a_100000230434_100000754131 [1,1,0,0,0,0|2,0,0]=4 10346 B12R0.113 COC(=O)C[C@@H](O)COCCSC 7a_100000230434_100000754131 [1,1,0,0,0,0|2,0,0]=4 10347 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100000754131_100011934791 [1,1,0,0,0,0|2,0,0]=4 10348 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100011934791_100000754131 [1,1,0,0,0,0|2,0,0]=4 10349 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [1,1,0,0,0,0|2,0,0]=4 10350 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [1,1,0,0,0,0|2,0,0]=4 10351 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000212216_100000754131 [1,1,0,0,0,0|2,0,0]=4 10352 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000754131_100000751147 [1,1,0,0,0,0|2,0,0]=4 10353 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [1,1,0,0,0,0|1,0,1]=4 10354 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [1,1,0,0,0,0|2,0,0]=4 10355 B12R0.113 COCCCNC(C)CC(=O)OC 34a_100150723488_100009817358 [1,1,0,0,0,0|2,0,0]=4 10356 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [1,1,0,0,0,0|2,0,0]=4 10357 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100000709357_100009817358 [1,1,0,0,0,0|2,0,0]=4 10358 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100009817358_100000709357 [1,1,0,0,0,0|2,0,0]=4 10359 B12R0.113 COCCOC[C@H](O)CC(=O)OC 34a_100000210237_100000754131 [1,1,0,0,0,0|2,0,0]=4 10360 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000233755_100000754131 [1,1,0,0,0,0|2,0,0]=4 10361 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000233755 [1,1,0,0,0,0|2,0,0]=4 10362 B12R0.142 CCC(=O)COC(C)CCCOC 7a_200011539412_100000747405 [1,1,0,0,0,0|2,0,0]=4 10363 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [1,1,0,0,0,0|1,0,1]=4 10364 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [1,1,0,0,0,0|0,0,1]=3 10365 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [1,1,0,0,0,0|1,0,1]=4 10366 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [1,1,0,0,0,0|1,0,1]=4 10367 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [1,1,0,0,0,0|1,0,1]=4 10368 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [1,1,0,0,0,0|1,0,1]=4 10369 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [1,1,0,0,0,0|0,0,0]=2 10370 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [1,1,0,0,0,0|1,0,0]=3 10371 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [1,1,0,0,0,0|1,0,0]=3 10372 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [1,1,0,0,0,0|1,0,0]=3 10373 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [1,1,0,0,0,0|1,0,0]=3 10374 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [1,1,0,0,0,0|1,0,0]=3 10375 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [1,1,0,0,0,0|2,0,0]=4 10376 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [1,1,0,0,0,0|2,0,0]=4 10377 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [1,1,0,0,0,0|2,0,0]=4 10378 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [1,1,0,0,0,0|1,0,0]=3 10379 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [1,1,0,0,0,0|1,0,0]=3 10380 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [1,1,0,0,0,0|1,0,0]=3 10381 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [1,1,0,0,0,0|2,0,0]=4 10382 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [1,1,0,0,0,0|2,0,0]=4 10383 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [1,1,0,0,0,0|2,0,0]=4 10384 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [1,1,0,0,0,0|1,0,0]=3 10385 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [1,1,0,0,0,0|1,0,0]=3 10386 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [1,1,0,0,0,0|1,0,0]=3 10387 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [1,1,0,0,0,0|1,0,0]=3 10388 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [1,1,0,0,0,0|2,0,0]=4 10389 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [1,1,0,0,0,0|2,0,0]=4 10390 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [1,1,0,0,0,0|1,0,0]=3 10391 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [1,1,0,0,0,0|1,0,0]=3 10392 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [1,1,0,0,0,0|1,0,0]=3 10393 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [1,1,0,0,0,0|2,0,0]=4 10394 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [1,1,0,0,0,0|2,0,0]=4 10395 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [1,1,0,0,0,0|2,0,0]=4 10396 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [1,1,0,0,0,0|2,0,0]=4 10397 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [1,1,0,0,0,0|2,0,0]=4 10398 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [1,1,0,0,0,0|2,0,0]=4 10399 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [1,1,0,0,0,0|1,0,0]=3 10400 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [1,1,0,0,0,0|1,0,0]=3 10401 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [1,1,0,0,0,0|1,0,0]=3 10402 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [1,1,0,0,0,0|1,0,1]=4 10403 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [1,1,0,0,0,0|1,0,1]=4 10404 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [1,1,0,0,0,0|1,0,1]=4 10405 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [1,1,0,0,0,0|1,0,1]=4 10406 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [1,1,0,0,0,0|1,0,1]=4 10407 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [1,1,0,0,0,0|1,0,1]=4 10408 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [1,1,0,0,0,0|1,0,1]=4 10409 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [1,1,0,0,0,0|1,0,1]=4 10410 B12R0.142 CCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215890 [1,1,0,0,0,0|2,0,0]=4 10411 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [1,1,0,0,0,0|1,0,1]=4 10412 B12R0.142 CCSCCN(C)CCC(=O)OC 269982a_100025711912_100000757381 [1,1,0,0,0,0|2,0,0]=4 10413 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [1,1,0,0,0,0|1,0,1]=4 10414 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [1,1,0,0,0,0|1,0,1]=4 10415 B12R0.142 COC(=O)CCN(C)CCCCF 269982a_100025711912_100000729493 [1,1,0,0,0,0|2,0,0]=4 10416 B12R0.142 COC(=O)CCN(C)CCCCO 2230a_100000717598_100000204255 [1,1,0,0,0,0|2,0,0]=4 10417 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100000717598_100000204255 [1,1,0,0,0,0|2,0,0]=4 10418 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100025711912_100000210776 [1,1,0,0,0,0|2,0,0]=4 10419 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [1,1,0,0,0,0|1,0,1]=4 10420 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [1,1,0,0,0,0|2,0,0]=4 10421 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [1,1,0,0,0,0|2,0,0]=4 10422 B12R0.142 COCCCN(C)CCC(=O)OC 2230a_100000224831_100000204255 [1,1,0,0,0,0|2,0,0]=4 10423 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100000224831_100000204255 [1,1,0,0,0,0|2,0,0]=4 10424 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100025711912_100000740836 [1,1,0,0,0,0|2,0,0]=4 10425 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [1,1,0,0,0,0|0,0,2]=4 10426 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [1,1,0,0,0,0|0,0,1]=3 10427 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [1,1,0,0,0,0|0,0,1]=3 10428 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [1,1,0,0,0,0|1,0,1]=4 10429 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [1,1,0,0,0,0|1,0,0]=3 10430 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [1,1,0,0,0,0|1,0,1]=4 10431 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [1,1,0,0,0,0|1,0,1]=4 10432 B12R0.183 CCC(=O)CSCCCN(C)CC 62a_100000747405_100015186262 [1,1,0,0,0,0|2,0,0]=4 10433 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [1,1,0,0,0,0|1,0,1]=4 10434 B12R0.183 CCC(=O)NCCNCC(C)CC 270004a_100132302217_100000243153 [1,1,0,0,0,0|2,0,0]=4 10435 B12R0.183 CCC(=O)NCCNCC(C)CC 34a_100132302217_100000748023 [1,1,0,0,0,0|2,0,0]=4 10436 B12R0.183 CCC(=O)NCCNCC(O)CC 34a_100132302217_100011218378 [1,1,0,0,0,0|2,0,0]=4 10437 B12R0.183 CCC(=O)NCCNC[C@@H](C)CC 34a_100132302217_100009816398 [1,1,0,0,0,0|2,0,0]=4 10438 B12R0.183 CCC(=O)NCCOCC(C)CC 34a_200000158885_100000748023 [1,1,0,0,0,0|2,0,0]=4 10439 B12R0.183 CCC(=O)NCCOCC(C)CC 7a_200000158885_100000748023 [1,1,0,0,0,0|2,0,0]=4 10440 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [1,1,0,0,0,0|2,0,0]=4 10441 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [1,1,0,0,0,0|2,0,0]=4 10442 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 34a_200000158885_100009816398 [1,1,0,0,0,0|2,0,0]=4 10443 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 7a_200000158885_100009816398 [1,1,0,0,0,0|2,0,0]=4 10444 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [1,1,0,0,0,0|2,0,0]=4 10445 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [1,1,0,0,0,0|2,0,0]=4 10446 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [1,1,0,0,0,0|2,0,0]=4 10447 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [1,1,0,0,0,0|2,0,0]=4 10448 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [1,1,0,0,0,0|1,0,0]=3 10449 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [1,1,0,0,0,0|2,0,0]=4 10450 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [1,1,0,0,0,0|1,0,0]=3 10451 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [1,1,0,0,0,0|2,0,0]=4 10452 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [1,1,0,0,0,0|1,0,0]=3 10453 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [1,1,0,0,0,0|2,0,0]=4 10454 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [1,1,0,0,0,0|2,0,0]=4 10455 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [1,1,0,0,0,0|2,0,0]=4 10456 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [1,1,0,0,0,0|2,0,0]=4 10457 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [1,1,0,0,0,0|1,0,0]=3 10458 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [1,1,0,0,0,0|2,0,0]=4 10459 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [1,1,0,0,0,0|2,0,0]=4 10460 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [1,1,0,0,0,0|2,0,0]=4 10461 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [1,1,0,0,0,0|2,0,0]=4 10462 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [1,1,0,0,0,0|1,0,0]=3 10463 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [1,1,0,0,0,0|1,0,0]=3 10464 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [1,1,0,0,0,0|1,0,0]=3 10465 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [1,1,0,0,0,0|2,0,0]=4 10466 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [1,1,0,0,0,0|1,0,0]=3 10467 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [1,1,0,0,0,0|1,0,0]=3 10468 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [1,1,0,0,0,0|1,0,0]=3 10469 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [1,1,0,0,0,0|2,0,0]=4 10470 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [1,1,0,0,0,0|1,0,0]=3 10471 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [1,1,0,0,0,0|1,0,0]=3 10472 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [1,1,0,0,0,0|2,0,0]=4 10473 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [1,1,0,0,0,0|2,0,0]=4 10474 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [1,1,0,0,0,0|2,0,0]=4 10475 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [1,1,0,0,0,0|2,0,0]=4 10476 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [1,1,0,0,0,0|2,0,0]=4 10477 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [1,1,0,0,0,0|1,0,0]=3 10478 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [1,1,0,0,0,0|2,0,0]=4 10479 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [1,1,0,0,0,0|2,0,0]=4 10480 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [1,1,0,0,0,0|2,0,0]=4 10481 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [1,1,0,0,0,0|2,0,0]=4 10482 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [1,1,0,0,0,0|1,0,0]=3 10483 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [1,1,0,0,0,0|1,0,0]=3 10484 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [1,1,0,0,0,0|1,0,0]=3 10485 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [1,1,0,0,0,0|1,0,0]=3 10486 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [1,1,0,0,0,0|2,0,0]=4 10487 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [1,1,0,0,0,0|2,0,0]=4 10488 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [1,1,0,0,0,0|2,0,0]=4 10489 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [1,1,0,0,0,0|2,0,0]=4 10490 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [1,1,0,0,0,0|1,0,0]=3 10491 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [1,1,0,0,0,0|2,0,0]=4 10492 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [1,1,0,0,0,0|2,0,0]=4 10493 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [1,1,0,0,0,0|2,0,0]=4 10494 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [1,1,0,0,0,0|2,0,0]=4 10495 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [1,1,0,0,0,0|1,0,0]=3 10496 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [1,1,0,0,0,0|1,0,0]=3 10497 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [1,1,0,0,0,0|1,0,1]=4 10498 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [1,1,0,0,0,0|1,0,1]=4 10499 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [1,1,0,0,0,0|1,0,1]=4 10500 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [1,1,0,0,0,0|1,0,1]=4 10501 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [1,1,0,0,0,0|1,0,1]=4 10502 B12R0.183 COC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000204269 [1,1,0,0,0,0|2,0,0]=4 10503 B12R0.183 COC(=O)CCCCOC(C)CF 34a_100016041109_100000204269 [1,1,0,0,0,0|2,0,0]=4 10504 B12R0.183 COC(=O)CCCCOC(C)CF 7a_100016041109_100000204269 [1,1,0,0,0,0|2,0,0]=4 10505 B12R0.183 COC(=O)CCCCOC(C)CN 34a_100000210904_100000204269 [1,1,0,0,0,0|2,0,0]=4 10506 B12R0.183 COC(=O)CCCCOC(C)CO 34a_100000059025_100012180447 [1,1,0,0,0,0|2,0,0]=4 10507 B12R0.183 COC(=O)CCCCOC(C)CO 7a_100000059025_100012180447 [1,1,0,0,0,0|2,0,0]=4 10508 B12R0.183 COC(=O)CCCCSC(C)CO 62a_100012180447_100000204269 [1,1,0,0,0,0|2,0,0]=4 10509 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100000204269_100009879195 [1,1,0,0,0,0|2,0,0]=4 10510 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100009879195_100000204269 [1,1,0,0,0,0|2,0,0]=4 10511 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100000204269_100016084084 [1,1,0,0,0,0|2,0,0]=4 10512 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000204269 [1,1,0,0,0,0|2,0,0]=4 10513 B12R0.183 COC(=O)CCCNCC(C)CO 34a_100000744482_100000742333 [1,1,0,0,0,0|2,0,0]=4 10514 B12R0.183 COC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100011218270 [1,1,0,0,0,0|2,0,0]=4 10515 B12R0.183 COC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000742333 [1,1,0,0,0,0|2,0,0]=4 10516 B12R0.183 COC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100011218270 [1,1,0,0,0,0|2,0,0]=4 10517 B12R0.183 COC(=O)CCCOCC(C)CN 34a_100000744482_100000742333 [1,1,0,0,0,0|2,0,0]=4 10518 B12R0.183 COC(=O)CCCOCC(C)OC 34a_100000690652_100000742333 [1,1,0,0,0,0|2,0,0]=4 10519 B12R0.183 COC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000742333 [1,1,0,0,0,0|2,0,0]=4 10520 B12R0.183 COC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000742333 [1,1,0,0,0,0|2,0,0]=4 10521 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011218270_100011219619 [1,1,0,0,0,0|2,0,0]=4 10522 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011219619_100011218270 [1,1,0,0,0,0|2,0,0]=4 10523 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011218270 [1,1,0,0,0,0|2,0,0]=4 10524 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100011218270_100000059175 [1,1,0,0,0,0|2,0,0]=4 10525 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100011218270_100015614560 [1,1,0,0,0,0|2,0,0]=4 10526 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011218270 [1,1,0,0,0,0|2,0,0]=4 10527 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011218270 [1,1,0,0,0,0|2,0,0]=4 10528 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100011218270_100009815848 [1,1,0,0,0,0|2,0,0]=4 10529 B12R0.183 COC(=O)CCNCCC(C)CO 2230a_106354213184_100000204255 [1,1,0,0,0,0|2,0,0]=4 10530 B12R0.183 COC(=O)CCNCCC(C)CO 34a_106354213184_100000742370 [1,1,0,0,0,0|2,0,0]=4 10531 B12R0.183 COC(=O)CCOCCC(C)OC 7a_100000764861_100000204255 [1,1,0,0,0,0|2,0,0]=4 10532 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [1,1,0,0,0,0|2,0,0]=4 10533 B12R0.184 C=C(C)CCOCCCC(=O)OC 34a_100000764851_100000742333 [1,1,0,0,0,0|1,0,1]=4 10534 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [1,1,0,0,0,0|1,0,1]=4 10535 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [1,1,0,0,0,0|1,0,1]=4 10536 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000059025_100000748629 [1,1,0,0,0,0|1,0,1]=4 10537 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000210245_100000204269 [1,1,0,0,0,0|1,0,1]=4 10538 B12R0.184 C=C(C)COCCCCC(=O)OC 7a_100000059025_100000748629 [1,1,0,0,0,0|1,0,1]=4 10539 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000204269_100000211660 [1,1,0,0,0,0|1,0,1]=4 10540 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000748629_100000204269 [1,1,0,0,0,0|1,0,1]=4 10541 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [1,1,0,0,0,0|1,0,0]=3 10542 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [1,1,0,0,0,0|2,0,0]=4 10543 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [1,1,0,0,0,0|2,0,0]=4 10544 B12R0.184 CCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210202 [1,1,0,0,0,0|0,0,2]=4 10545 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [1,1,0,0,0,0|2,0,0]=4 10546 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [1,1,0,0,0,0|0,0,0]=2 10547 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [1,1,0,0,0,0|1,0,1]=4 10548 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [1,1,0,0,0,0|1,0,1]=4 10549 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [1,1,0,0,0,0|1,0,1]=4 10550 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [1,1,0,0,0,0|1,0,0]=3 10551 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [1,1,0,0,0,0|1,0,0]=3 10552 B12R0.184 CCC(=O)COCCOCC(C)C 7a_100000703358_100000747405 [1,1,0,0,0,0|2,0,0]=4 10553 B12R0.184 CCC(=O)COCCSCC(C)C 7a_200000230437_100000747405 [1,1,0,0,0,0|2,0,0]=4 10554 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [1,1,0,0,0,0|1,0,1]=4 10555 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [1,1,0,0,0,0|1,0,1]=4 10556 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [1,1,0,0,0,0|1,0,0]=3 10557 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [1,1,0,0,0,0|1,0,0]=3 10558 B12R0.184 CCC(=O)CSCCCCN(C)C 62a_100000747405_100000690147 [1,1,0,0,0,0|2,0,0]=4 10559 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [1,1,0,0,0,0|1,0,0]=3 10560 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [1,1,0,0,0,0|1,0,0]=3 10561 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [1,1,0,0,0,0|1,0,0]=3 10562 B12R0.184 CCC(=O)NCCCCCN(C)C 240690a_100020635752_100000210414 [1,1,0,0,0,0|2,0,0]=4 10563 B12R0.184 CCC(=O)NCCCOCC(C)C 11a_100000205972_100000210414 [1,1,0,0,0,0|2,0,0]=4 10564 B12R0.184 CCC(=O)NCCCOCC(C)C 1626a_100000205972_100000210414 [1,1,0,0,0,0|2,0,0]=4 10565 B12R0.184 CCC(=O)NCCCOCC(C)C 240690a_100000205972_100000210414 [1,1,0,0,0,0|2,0,0]=4 10566 B12R0.184 CCC(=O)NCCCOCC(C)C 527a_100000205972_100000210414 [1,1,0,0,0,0|2,0,0]=4 10567 B12R0.184 CCC(=O)NCCNCCC(C)C 269862a_100132302217_100000185833 [1,1,0,0,0,0|2,0,0]=4 10568 B12R0.184 CCC(=O)NCCNCCC(C)C 34a_100132302217_100000210312 [1,1,0,0,0,0|2,0,0]=4 10569 B12R0.184 CCC(=O)NCCNCCC(C)O 34a_100132302217_100012276601 [1,1,0,0,0,0|2,0,0]=4 10570 B12R0.184 CCC(=O)NCCOCCC(C)C 34a_200000158885_100000210312 [1,1,0,0,0,0|2,0,0]=4 10571 B12R0.184 CCC(=O)NCCOCCC(C)C 7a_200000158885_100000210626 [1,1,0,0,0,0|2,0,0]=4 10572 B12R0.184 CCC(=O)NCCOCCC(C)O 34a_200000158885_100012276601 [1,1,0,0,0,0|2,0,0]=4 10573 B12R0.184 CCC(=O)NCCOCCC(C)O 7a_200000158885_100012276601 [1,1,0,0,0,0|2,0,0]=4 10574 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [1,1,0,0,0,0|2,0,0]=4 10575 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [1,1,0,0,0,0|2,0,0]=4 10576 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [1,1,0,0,0,0|1,0,0]=3 10577 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [1,1,0,0,0,0|1,0,0]=3 10578 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [1,1,0,0,0,0|1,0,0]=3 10579 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [1,1,0,0,0,0|1,0,0]=3 10580 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [1,1,0,0,0,0|2,0,0]=4 10581 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [1,1,0,0,0,0|2,0,0]=4 10582 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [1,1,0,0,0,0|2,0,0]=4 10583 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [1,1,0,0,0,0|2,0,0]=4 10584 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [1,1,0,0,0,0|2,0,0]=4 10585 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [1,1,0,0,0,0|2,0,0]=4 10586 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [1,1,0,0,0,0|2,0,0]=4 10587 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [1,1,0,0,0,0|2,0,0]=4 10588 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [1,1,0,0,0,0|2,0,0]=4 10589 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [1,1,0,0,0,0|2,0,0]=4 10590 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [1,1,0,0,0,0|2,0,0]=4 10591 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [1,1,0,0,0,0|2,0,0]=4 10592 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [1,1,0,0,0,0|2,0,0]=4 10593 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [1,1,0,0,0,0|2,0,0]=4 10594 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [1,1,0,0,0,0|2,0,0]=4 10595 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [1,1,0,0,0,0|2,0,0]=4 10596 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [1,1,0,0,0,0|2,0,0]=4 10597 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [1,1,0,0,0,0|2,0,0]=4 10598 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [1,1,0,0,0,0|2,0,0]=4 10599 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [1,1,0,0,0,0|2,0,0]=4 10600 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [1,1,0,0,0,0|2,0,0]=4 10601 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [1,1,0,0,0,0|2,0,0]=4 10602 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [1,1,0,0,0,0|2,0,0]=4 10603 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [1,1,0,0,0,0|2,0,0]=4 10604 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [1,1,0,0,0,0|2,0,0]=4 10605 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [1,1,0,0,0,0|2,0,0]=4 10606 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [1,1,0,0,0,0|2,0,0]=4 10607 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [1,1,0,0,0,0|2,0,0]=4 10608 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [1,1,0,0,0,0|2,0,0]=4 10609 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [1,1,0,0,0,0|2,0,0]=4 10610 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [1,1,0,0,0,0|2,0,0]=4 10611 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [1,1,0,0,0,0|2,0,0]=4 10612 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [1,1,0,0,0,0|2,0,0]=4 10613 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [1,1,0,0,0,0|2,0,0]=4 10614 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [1,1,0,0,0,0|2,0,0]=4 10615 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [1,1,0,0,0,0|2,0,0]=4 10616 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [1,1,0,0,0,0|2,0,0]=4 10617 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [1,1,0,0,0,0|2,0,0]=4 10618 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [1,1,0,0,0,0|2,0,0]=4 10619 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [1,1,0,0,0,0|2,0,0]=4 10620 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [1,1,0,0,0,0|0,0,1]=3 10621 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [1,1,0,0,0,0|0,0,1]=3 10622 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [1,1,0,0,0,0|0,0,1]=3 10623 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [1,1,0,0,0,0|1,0,0]=3 10624 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [1,1,0,0,0,0|1,0,0]=3 10625 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [1,1,0,0,0,0|1,0,1]=4 10626 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [1,1,0,0,0,0|1,0,0]=3 10627 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [1,1,0,0,0,0|1,0,0]=3 10628 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [1,1,0,0,0,0|1,0,0]=3 10629 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [1,1,0,0,0,0|1,0,0]=3 10630 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [1,1,0,0,0,0|1,0,0]=3 10631 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [1,1,0,0,0,0|1,0,0]=3 10632 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [1,1,0,0,0,0|1,0,0]=3 10633 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [1,1,0,0,0,0|1,0,0]=3 10634 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [1,1,0,0,0,0|1,0,0]=3 10635 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [1,1,0,0,0,0|1,0,0]=3 10636 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [1,1,0,0,0,0|1,0,0]=3 10637 B12R0.184 COC(=O)CCCCNCC(F)F 34a_100000765723_100000204269 [1,1,0,0,0,0|2,0,0]=4 10638 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [1,1,0,0,0,0|1,0,1]=4 10639 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [1,1,0,0,0,0|1,0,0]=3 10640 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [1,1,0,0,0,0|1,0,0]=3 10641 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [1,1,0,0,0,0|1,0,0]=3 10642 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [1,1,0,0,0,0|1,0,0]=3 10643 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [1,1,0,0,0,0|1,0,0]=3 10644 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [1,1,0,0,0,0|1,0,0]=3 10645 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [1,1,0,0,0,0|1,0,0]=3 10646 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000059025_100011934356 [1,1,0,0,0,0|2,0,0]=4 10647 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000743014_100000204269 [1,1,0,0,0,0|2,0,0]=4 10648 B12R0.184 COC(=O)CCCCOCC(F)F 7a_100000059025_100011934356 [1,1,0,0,0,0|2,0,0]=4 10649 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [1,1,0,0,0,0|1,0,0]=3 10650 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [1,1,0,0,0,0|1,0,0]=3 10651 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [1,1,0,0,0,0|1,0,0]=3 10652 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [1,1,0,0,0,0|1,0,0]=3 10653 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [1,1,0,0,0,0|1,0,0]=3 10654 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [1,1,0,0,0,0|1,0,0]=3 10655 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [1,1,0,0,0,0|1,0,0]=3 10656 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [1,1,0,0,0,0|1,0,0]=3 10657 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100000204269_100011934356 [1,1,0,0,0,0|2,0,0]=4 10658 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100011934356_100000204269 [1,1,0,0,0,0|2,0,0]=4 10659 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [1,1,0,0,0,0|1,0,0]=3 10660 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [1,1,0,0,0,0|1,0,0]=3 10661 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [1,1,0,0,0,0|1,0,0]=3 10662 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [1,1,0,0,0,0|1,0,1]=4 10663 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [1,1,0,0,0,0|1,0,1]=4 10664 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [1,1,0,0,0,0|1,0,0]=3 10665 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [1,1,0,0,0,0|1,0,0]=3 10666 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [1,1,0,0,0,0|1,0,0]=3 10667 B12R0.184 COC(=O)CCCOCCC(F)F 34a_100103093639_100000742333 [1,1,0,0,0,0|2,0,0]=4 10668 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [1,1,0,0,0,0|1,0,0]=3 10669 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [1,1,0,0,0,0|1,0,1]=4 10670 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [1,1,0,0,0,0|1,0,1]=4 10671 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [1,1,0,0,0,0|1,0,0]=3 10672 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [1,1,0,0,0,0|1,0,0]=3 10673 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [1,1,0,0,0,0|1,0,0]=3 10674 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [1,1,0,0,0,0|1,0,0]=3 10675 B12R0.184 COC(=O)CCCSCCN(C)C 62a_100011218270_100000755713 [1,1,0,0,0,0|2,0,0]=4 10676 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100000709892_100011218270 [1,1,0,0,0,0|2,0,0]=4 10677 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100011218270_100000709892 [1,1,0,0,0,0|2,0,0]=4 10678 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [1,1,0,0,0,0|1,0,0]=3 10679 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [1,1,0,0,0,0|1,0,0]=3 10680 B12R0.184 COC(=O)CCNCCCS(=O)C 2230a_200000753449_100000204255 [1,1,0,0,0,0|2,0,0]=4 10681 B12R0.184 COC(=O)CCNCCOC(C)C 2230a_100000701111_100000204255 [1,1,0,0,0,0|2,0,0]=4 10682 B12R0.184 COC(=O)CCNCCOC(C)C 34a_100000701111_100000742370 [1,1,0,0,0,0|2,0,0]=4 10683 B12R0.184 COC(=O)CCNCCSC(C)C 2230a_100000731138_100000204255 [1,1,0,0,0,0|2,0,0]=4 10684 B12R0.184 COC(=O)CCNCCSC(C)C 34a_100000731138_100000742370 [1,1,0,0,0,0|2,0,0]=4 10685 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [1,1,0,0,0,0|1,0,1]=4 10686 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [1,1,0,0,0,0|1,0,1]=4 10687 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [1,1,0,0,0,0|1,0,0]=3 10688 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [1,1,0,0,0,0|1,0,0]=3 10689 B12R0.184 COC(=O)CCOCCNC(C)C 34a_100000224655_100000742370 [1,1,0,0,0,0|2,0,0]=4 10690 B12R0.184 COC(=O)CCOCCOC(C)C 34a_100000211219_100000742370 [1,1,0,0,0,0|2,0,0]=4 10691 B12R0.184 COC(=O)CCOCCOC(C)C 7a_100000211219_100000204255 [1,1,0,0,0,0|2,0,0]=4 10692 B12R0.184 COC(=O)CCOCCSC(C)C 34a_200011212901_100000742370 [1,1,0,0,0,0|2,0,0]=4 10693 B12R0.184 COC(=O)CCOCCSC(C)C 7a_200011212901_100000204255 [1,1,0,0,0,0|2,0,0]=4 10694 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [1,1,0,0,0,0|1,0,1]=4 10695 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [1,1,0,0,0,0|1,0,1]=4 10696 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [1,1,0,0,0,0|1,0,0]=3 10697 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [1,1,0,0,0,0|1,0,0]=3 10698 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [1,1,0,0,0,0|1,0,0]=3 10699 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [1,1,0,0,0,0|1,0,0]=3 10700 B12R0.184 COC(=O)CCSCCCN(C)C 62a_100000204255_100000757444 [1,1,0,0,0,0|2,0,0]=4 10701 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000204255_100000211751 [1,1,0,0,0,0|2,0,0]=4 10702 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000211751_100000204255 [1,1,0,0,0,0|2,0,0]=4 10703 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000204255_100000730970 [1,1,0,0,0,0|2,0,0]=4 10704 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000730970_100000204255 [1,1,0,0,0,0|2,0,0]=4 10705 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [1,1,0,0,0,0|2,0,0]=4 10706 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [1,1,0,0,0,0|2,0,0]=4 10707 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [1,1,0,0,0,0|1,0,0]=3 10708 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [1,1,0,0,0,0|1,0,0]=3 10709 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [1,1,0,0,0,0|2,0,0]=4 10710 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [1,1,0,0,0,0|2,0,0]=4 10711 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [1,1,0,0,0,0|2,0,0]=4 10712 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [1,1,0,0,0,0|2,0,0]=4 10713 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [1,1,0,0,0,0|2,0,0]=4 10714 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [1,1,0,0,0,0|2,0,0]=4 10715 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [1,1,0,0,0,0|2,0,0]=4 10716 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [1,1,0,0,0,0|2,0,0]=4 10717 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [1,1,0,0,0,0|2,0,0]=4 10718 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [1,1,0,0,0,0|2,0,0]=4 10719 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [1,1,0,0,0,0|2,0,0]=4 10720 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [1,1,0,0,0,0|2,0,0]=4 10721 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [1,1,0,0,0,0|2,0,0]=4 10722 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [1,1,0,0,0,0|2,0,0]=4 10723 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [1,1,0,0,0,0|2,0,0]=4 10724 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [1,1,0,0,0,0|2,0,0]=4 10725 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [1,1,0,0,0,0|2,0,0]=4 10726 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [1,1,0,0,0,0|2,0,0]=4 10727 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [1,1,0,0,0,0|2,0,0]=4 10728 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [1,1,0,0,0,0|2,0,0]=4 10729 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [1,1,0,0,0,0|2,0,0]=4 10730 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [1,1,0,0,0,0|1,0,1]=4 10731 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [1,1,0,0,0,0|1,0,1]=4 10732 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [1,1,0,0,0,0|1,0,0]=3 10733 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [1,1,0,0,0,0|1,0,0]=3 10734 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [1,1,0,0,0,0|2,0,0]=4 10735 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [1,1,0,0,0,0|2,0,0]=4 10736 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [1,1,0,0,0,0|2,0,0]=4 10737 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [1,1,0,0,0,0|2,0,0]=4 10738 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [1,1,0,0,0,0|2,0,0]=4 10739 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [1,1,0,0,0,0|2,0,0]=4 10740 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [1,1,0,0,0,0|2,0,0]=4 10741 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000034748_100000210206 [1,1,0,0,0,0|0,0,2]=4 10742 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000210198_100012276617 [1,1,0,0,0,0|0,0,2]=4 10743 B12R0.251 C#CCCCCCCC(=O)C(C)F 1458a_100000062450_100012276617 [1,1,0,0,0,0|0,0,2]=4 10744 B12R0.251 C#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012276617 [1,1,0,0,0,0|0,0,2]=4 10745 B12R0.251 C#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012276617 [1,1,0,0,0,0|0,0,2]=4 10746 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [1,1,0,0,0,0|0,0,1]=3 10747 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [1,1,0,0,0,0|1,0,1]=4 10748 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [1,1,0,0,0,0|1,0,1]=4 10749 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [1,1,0,0,0,0|1,0,1]=4 10750 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [1,1,0,0,0,0|1,0,1]=4 10751 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100000210198_100011215473 [1,1,0,0,0,0|0,0,2]=4 10752 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100011809334_100000210206 [1,1,0,0,0,0|0,0,2]=4 10753 B12R0.251 C=CCCCCCCC(=O)C(C)F 1458a_100000062450_100011215473 [1,1,0,0,0,0|0,0,2]=4 10754 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [1,1,0,0,0,0|0,0,2]=4 10755 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [1,1,0,0,0,0|0,0,2]=4 10756 B12R0.251 CC(C)C(=O)CCCCCCC#N 1458a_100000210198_100009813337 [1,1,0,0,0,0|1,0,1]=4 10757 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [1,1,0,0,0,0|1,0,0]=3 10758 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [1,1,0,0,0,0|1,0,0]=3 10759 B12R0.251 CC(C)C(=O)CNCCCCCO 2230a_100000762737_100000753385 [1,1,0,0,0,0|2,0,0]=4 10760 B12R0.251 CC(C)C(=O)CNCCCCCO 34a_100000762737_100000753385 [1,1,0,0,0,0|2,0,0]=4 10761 B12R0.251 CC(C)C(=O)COCCCCCBr 34a_100000746331_100000753385 [1,1,0,0,0,0|2,0,0]=4 10762 B12R0.251 CC(C)C(=O)COCCCCCBr 7a_100000746331_100000753385 [1,1,0,0,0,0|2,0,0]=4 10763 B12R0.251 CC(C)C(=O)COCCCCCCl 34a_100000746330_100000753385 [1,1,0,0,0,0|2,0,0]=4 10764 B12R0.251 CC(C)C(=O)COCCCCCCl 7a_100000746330_100000753385 [1,1,0,0,0,0|2,0,0]=4 10765 B12R0.251 CC(C)C(=O)COCCCCCI 34a_200012148887_100000753385 [1,1,0,0,0,0|2,0,0]=4 10766 B12R0.251 CC(C)C(=O)COCCCCCI 7a_200012148887_100000753385 [1,1,0,0,0,0|2,0,0]=4 10767 B12R0.251 CC(C)C(=O)COCCCCCN 34a_100000762737_100000753385 [1,1,0,0,0,0|2,0,0]=4 10768 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000729378_100000753385 [1,1,0,0,0,0|2,0,0]=4 10769 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000753385_100000729378 [1,1,0,0,0,0|2,0,0]=4 10770 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000746330_100000753385 [1,1,0,0,0,0|2,0,0]=4 10771 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000753385_100000746330 [1,1,0,0,0,0|2,0,0]=4 10772 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [1,1,0,0,0,0|2,0,0]=4 10773 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [1,1,0,0,0,0|2,0,0]=4 10774 B12R0.251 CC(F)C(=O)CCCCCCC#N 1458a_100000062450_100009813337 [1,1,0,0,0,0|1,0,1]=4 10775 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [1,1,0,0,0,0|1,0,0]=3 10776 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [1,1,0,0,0,0|2,0,0]=4 10777 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [1,1,0,0,0,0|2,0,0]=4 10778 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [1,1,0,0,0,0|0,0,2]=4 10779 B12R0.251 CCCCCC#CCC(=O)C(C)C 1458a_100000210198_100009816472 [1,1,0,0,0,0|0,0,2]=4 10780 B12R0.251 CCCCCC#CCC(=O)C(C)F 1458a_100000062450_100009816472 [1,1,0,0,0,0|0,0,2]=4 10781 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [1,1,0,0,0,0|0,0,2]=4 10782 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [1,1,0,0,0,0|0,0,2]=4 10783 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [1,1,0,0,0,0|0,0,2]=4 10784 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [1,1,0,0,0,0|0,0,0]=2 10785 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [1,1,0,0,0,0|0,0,0]=2 10786 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [1,1,0,0,0,0|0,0,0]=2 10787 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [1,1,0,0,0,0|1,0,0]=3 10788 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [1,1,0,0,0,0|1,0,0]=3 10789 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [1,1,0,0,0,0|1,0,0]=3 10790 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [1,1,0,0,0,0|1,0,0]=3 10791 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [1,1,0,0,0,0|1,0,0]=3 10792 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [1,1,0,0,0,0|0,0,0]=2 10793 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [1,1,0,0,0,0|0,0,0]=2 10794 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [1,1,0,0,0,0|2,0,0]=4 10795 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [1,1,0,0,0,0|2,0,0]=4 10796 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [1,1,0,0,0,0|2,0,0]=4 10797 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [1,1,0,0,0,0|1,0,0]=3 10798 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [1,1,0,0,0,0|1,0,0]=3 10799 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [1,1,0,0,0,0|1,0,0]=3 10800 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [1,1,0,0,0,0|1,0,0]=3 10801 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [1,1,0,0,0,0|1,0,0]=3 10802 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [1,1,0,0,0,0|1,0,0]=3 10803 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [1,1,0,0,0,0|1,0,0]=3 10804 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [1,1,0,0,0,0|1,0,0]=3 10805 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [1,1,0,0,0,0|2,0,0]=4 10806 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [1,1,0,0,0,0|2,0,0]=4 10807 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [1,1,0,0,0,0|2,0,0]=4 10808 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [1,1,0,0,0,0|2,0,0]=4 10809 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [1,1,0,0,0,0|2,0,0]=4 10810 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [1,1,0,0,0,0|2,0,0]=4 10811 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [1,1,0,0,0,0|1,0,0]=3 10812 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [1,1,0,0,0,0|1,0,0]=3 10813 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [1,1,0,0,0,0|1,0,0]=3 10814 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [1,1,0,0,0,0|1,0,0]=3 10815 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [1,1,0,0,0,0|2,0,0]=4 10816 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [1,1,0,0,0,0|2,0,0]=4 10817 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [1,1,0,0,0,0|1,0,1]=4 10818 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [1,1,0,0,0,0|1,0,0]=3 10819 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [1,1,0,0,0,0|1,0,0]=3 10820 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [1,1,0,0,0,0|2,0,0]=4 10821 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [1,1,0,0,0,0|2,0,0]=4 10822 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [1,1,0,0,0,0|1,0,1]=4 10823 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [1,1,0,0,0,0|1,0,1]=4 10824 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [1,1,0,0,0,0|1,0,0]=3 10825 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [1,1,0,0,0,0|1,0,0]=3 10826 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [1,1,0,0,0,0|2,0,0]=4 10827 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [1,1,0,0,0,0|2,0,0]=4 10828 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [1,1,0,0,0,0|2,0,0]=4 10829 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [1,1,0,0,0,0|2,0,0]=4 10830 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [1,1,0,0,0,0|2,0,0]=4 10831 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [1,1,0,0,0,0|2,0,0]=4 10832 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [1,1,0,0,0,0|2,0,0]=4 10833 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [1,1,0,0,0,0|2,0,0]=4 10834 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000139345_100000210326 [1,1,0,0,0,0|2,0,0]=4 10835 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000210326_100000139345 [1,1,0,0,0,0|2,0,0]=4 10836 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [1,1,0,0,0,0|2,0,0]=4 10837 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [1,1,0,0,0,0|2,0,0]=4 10838 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [1,1,0,0,0,0|2,0,0]=4 10839 B12R0.251 CCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210211 [1,1,0,0,0,0|2,0,0]=4 10840 B12R0.251 CCCCNCCNC(=O)C(C)C 34a_100000752568_100000210210 [1,1,0,0,0,0|2,0,0]=4 10841 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [1,1,0,0,0,0|2,0,0]=4 10842 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100000753385_100011995733 [1,1,0,0,0,0|2,0,0]=4 10843 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100011995733_100000753385 [1,1,0,0,0,0|2,0,0]=4 10844 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [1,1,0,0,0,0|2,0,0]=4 10845 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [1,1,0,0,0,0|2,0,0]=4 10846 B12R0.251 CCCCSCCNC(=O)C(C)C 11a_100025743550_100000210198 [1,1,0,0,0,0|2,0,0]=4 10847 B12R0.251 CCCCSCCNC(=O)C(C)C 1626a_100025743550_100000210198 [1,1,0,0,0,0|2,0,0]=4 10848 B12R0.251 CCCCSCCNC(=O)C(C)C 240690a_100025743550_100000210198 [1,1,0,0,0,0|2,0,0]=4 10849 B12R0.251 CCCCSCCNC(=O)C(C)C 527a_100025743550_100000210198 [1,1,0,0,0,0|2,0,0]=4 10850 B12R0.251 CCCCSCCNC(=O)C(C)F 11a_100025743550_100000062450 [1,1,0,0,0,0|2,0,0]=4 10851 B12R0.251 CCCCSCCNC(=O)C(C)F 1626a_100025743550_100000062450 [1,1,0,0,0,0|2,0,0]=4 10852 B12R0.251 CCCCSCCNC(=O)C(C)F 240690a_100025743550_100000062450 [1,1,0,0,0,0|2,0,0]=4 10853 B12R0.251 CCCCSCCNC(=O)C(C)F 527a_100025743550_100000062450 [1,1,0,0,0,0|2,0,0]=4 10854 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [1,1,0,0,0,0|2,0,0]=4 10855 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [1,1,0,0,0,0|2,0,0]=4 10856 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [1,1,0,0,0,0|2,0,0]=4 10857 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [1,1,0,0,0,0|2,0,0]=4 10858 B12R0.251 CCCOCCCNC(=O)C(C)C 1626a_100011217757_100000210198 [1,1,0,0,0,0|2,0,0]=4 10859 B12R0.251 CCCOCCCNC(=O)C(C)C 240690a_100011217757_100000210198 [1,1,0,0,0,0|2,0,0]=4 10860 B12R0.251 CCCOCCCNC(=O)C(C)C 527a_100011217757_100000210198 [1,1,0,0,0,0|2,0,0]=4 10861 B12R0.251 CCCOCCCNC(=O)C(C)F 1626a_100011217757_100000062450 [1,1,0,0,0,0|2,0,0]=4 10862 B12R0.251 CCCOCCCNC(=O)C(C)F 240690a_100011217757_100000062450 [1,1,0,0,0,0|2,0,0]=4 10863 B12R0.251 CCCOCCCNC(=O)C(C)F 527a_100011217757_100000062450 [1,1,0,0,0,0|2,0,0]=4 10864 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [1,1,0,0,0,0|2,0,0]=4 10865 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [1,1,0,0,0,0|2,0,0]=4 10866 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [1,1,0,0,0,0|2,0,0]=4 10867 B12R0.251 CCCOCCNCC(=O)C(C)C 2230a_100161115042_100000753385 [1,1,0,0,0,0|2,0,0]=4 10868 B12R0.251 CCCOCCNCC(=O)C(C)C 34a_100161115042_100000753385 [1,1,0,0,0,0|2,0,0]=4 10869 B12R0.251 CCCOCCOCC(=O)C(C)C 34a_100000752267_100000753385 [1,1,0,0,0,0|2,0,0]=4 10870 B12R0.251 CCCOCCOCC(=O)C(C)C 7a_100000752267_100000753385 [1,1,0,0,0,0|2,0,0]=4 10871 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100000753385_100011215938 [1,1,0,0,0,0|2,0,0]=4 10872 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100011215938_100000753385 [1,1,0,0,0,0|2,0,0]=4 10873 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [1,1,0,0,0,0|2,0,0]=4 10874 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [1,1,0,0,0,0|2,0,0]=4 10875 B12R0.251 CCCSCCNCC(=O)C(C)C 2230a_100020603323_100000753385 [1,1,0,0,0,0|2,0,0]=4 10876 B12R0.251 CCCSCCOCC(=O)C(C)C 34a_200000230433_100000753385 [1,1,0,0,0,0|2,0,0]=4 10877 B12R0.251 CCCSCCOCC(=O)C(C)C 7a_200000230433_100000753385 [1,1,0,0,0,0|2,0,0]=4 10878 B12R0.251 CCOCCCNCC(=O)C(C)C 2230a_100000210961_100000753385 [1,1,0,0,0,0|2,0,0]=4 10879 B12R0.251 CCOCCCNCC(=O)C(C)C 34a_100000210961_100000753385 [1,1,0,0,0,0|2,0,0]=4 10880 B12R0.251 CCOCCCOCC(=O)C(C)C 34a_100000757476_100000753385 [1,1,0,0,0,0|2,0,0]=4 10881 B12R0.251 CCOCCCOCC(=O)C(C)C 7a_100000757476_100000753385 [1,1,0,0,0,0|2,0,0]=4 10882 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100000753385_100012232248 [1,1,0,0,0,0|2,0,0]=4 10883 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100012232248_100000753385 [1,1,0,0,0,0|2,0,0]=4 10884 B12R0.251 CCOCCOCCC(=O)C(C)C 1458a_100000210198_100011211534 [1,1,0,0,0,0|2,0,0]=4 10885 B12R0.251 CCOCCOCCC(=O)C(C)F 1458a_100000062450_100011211534 [1,1,0,0,0,0|2,0,0]=4 10886 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [1,1,0,0,0,0|2,0,0]=4 10887 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [1,1,0,0,0,0|2,0,0]=4 10888 B12R0.251 CCSCCCOCC(=O)C(C)C 34a_100011216438_100000753385 [1,1,0,0,0,0|2,0,0]=4 10889 B12R0.251 CCSCCCOCC(=O)C(C)C 7a_100011216438_100000753385 [1,1,0,0,0,0|2,0,0]=4 10890 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [1,1,0,0,0,0|2,0,0]=4 10891 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [1,1,0,0,0,0|1,0,0]=3 10892 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [1,1,0,0,0,0|1,0,0]=3 10893 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [1,1,0,0,0,0|2,0,0]=4 10894 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [1,1,0,0,0,0|1,0,0]=3 10895 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [1,1,0,0,0,0|1,0,0]=3 10896 B12R0.251 COCCCCCNC(=O)C(C)C 11a_100000747528_100000210198 [1,1,0,0,0,0|2,0,0]=4 10897 B12R0.251 COCCCCCNC(=O)C(C)C 1626a_100000747528_100000210198 [1,1,0,0,0,0|2,0,0]=4 10898 B12R0.251 COCCCCCNC(=O)C(C)C 240690a_100000747528_100000210198 [1,1,0,0,0,0|2,0,0]=4 10899 B12R0.251 COCCCCCNC(=O)C(C)C 527a_100000747528_100000210198 [1,1,0,0,0,0|2,0,0]=4 10900 B12R0.251 COCCCCCNC(=O)C(C)F 11a_100000747528_100000062450 [1,1,0,0,0,0|2,0,0]=4 10901 B12R0.251 COCCCCCNC(=O)C(C)F 1626a_100000747528_100000062450 [1,1,0,0,0,0|2,0,0]=4 10902 B12R0.251 COCCCCCNC(=O)C(C)F 240690a_100000747528_100000062450 [1,1,0,0,0,0|2,0,0]=4 10903 B12R0.251 COCCCCCNC(=O)C(C)F 527a_100000747528_100000062450 [1,1,0,0,0,0|2,0,0]=4 10904 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [1,1,0,0,0,0|2,0,0]=4 10905 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [1,1,0,0,0,0|2,0,0]=4 10906 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [1,1,0,0,0,0|2,0,0]=4 10907 B12R0.251 COCCCCOCC(=O)C(C)C 34a_100000740925_100000753385 [1,1,0,0,0,0|2,0,0]=4 10908 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000730899_100000753385 [1,1,0,0,0,0|2,0,0]=4 10909 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000753385_100000730899 [1,1,0,0,0,0|2,0,0]=4 10910 B12R0.251 COCCOCCCC(=O)C(C)C 1458a_100000210198_100011216529 [1,1,0,0,0,0|2,0,0]=4 10911 B12R0.251 COCCOCCCC(=O)C(C)F 1458a_100000062450_100011216529 [1,1,0,0,0,0|2,0,0]=4 10912 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [1,1,0,0,0,0|2,0,0]=4 10913 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [1,1,0,0,0,0|2,0,0]=4 10914 B12R0.251 CSCCCCOCC(=O)C(C)C 34a_100011217163_100000753385 [1,1,0,0,0,0|2,0,0]=4 10915 B12R0.251 CSCCCCOCC(=O)C(C)C 7a_100011217163_100000753385 [1,1,0,0,0,0|2,0,0]=4 10916 B12R0.251 C[C@@H](O)C(=O)CCCCCCC#N 1458a_100000717761_100009813337 [1,1,0,0,0,0|1,0,1]=4 10917 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [1,1,0,0,0,0|1,0,0]=3 10918 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [1,1,0,0,0,0|2,0,0]=4 10919 B12R0.251 C[C@H](O)C(=O)CCCCCCC#N 1458a_217856618621_100009813337 [1,1,0,0,0,0|1,0,1]=4 10920 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [1,1,0,0,0,0|1,0,0]=3 10921 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [1,1,0,0,0,0|2,0,0]=4 10922 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [1,1,0,0,0,0|2,0,0]=4 10923 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [1,1,0,0,0,0|2,0,0]=4 10924 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [1,1,0,0,0,0|2,0,0]=4 10925 B12R0.312 CCCCCCCNS(=O)(=O)CC 270084a_100000229938_100000211323 [1,1,0,0,0,0|2,0,0]=4 10926 B12R0.312 CCCCCCCNS(=O)(=O)CC 274078a_100000229938_100000211323 [1,1,0,0,0,0|2,0,0]=4 10927 B12R0.312 CCCCCCCNS(=O)(=O)CC 40a_100000229938_100000053943 [1,1,0,0,0,0|2,0,0]=4 10928 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000209983_100000756660 [1,1,0,0,0,0|2,0,0]=4 10929 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210326 [1,1,0,0,0,0|2,0,0]=4 10930 B12R0.312 CCCCCNCCS(=O)(=O)CC 34a_100000751051_100000718602 [1,1,0,0,0,0|2,0,0]=4 10931 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_100000210253_100000756660 [1,1,0,0,0,0|2,0,0]=4 10932 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_200011216379_100000718602 [1,1,0,0,0,0|2,0,0]=4 10933 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_100000210253_100000756660 [1,1,0,0,0,0|2,0,0]=4 10934 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210326 [1,1,0,0,0,0|2,0,0]=4 10935 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000210326_100000756660 [1,1,0,0,0,0|2,0,0]=4 10936 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210326 [1,1,0,0,0,0|2,0,0]=4 10937 B14R0.1 C#CCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000184674 [0,2,0,0,0,0|0,0,2]=4 10938 B14R0.1 C#CCC(=O)CCCCCC(=O)OCC 1458a_100011220946_100000755133 [0,2,0,0,0,0|0,0,2]=4 10939 B14R0.1 C#CCC(C)OCCCCC(=O)OCC 34a_100000685586_100000750268 [0,2,0,0,0,0|0,0,2]=4 10940 B14R0.1 C#CCC(C)OCCCCC(=O)OCC 7a_100000685586_100000750268 [0,2,0,0,0,0|0,0,2]=4 10941 B14R0.1 C#CCN(C)CCCCCC(=O)OCC 2230a_100000225692_100000755133 [0,2,0,0,0,0|0,0,2]=4 10942 B14R0.1 C#CCN(C)CCCCCC(=O)OCC 34a_100000225692_100000755133 [0,2,0,0,0,0|0,0,2]=4 10943 B14R0.1 C/C=C/C(C)OCCCCC(=O)OCC 34a_200102604097_100000750268 [0,2,0,0,0,0|0,0,2]=4 10944 B14R0.1 C=CCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210623 [0,2,0,0,0,0|0,0,2]=4 10945 B14R0.1 C=CCC(=O)CCCCCC(=O)OCC 1458a_100000210193_100000755133 [0,2,0,0,0,0|0,0,2]=4 10946 B14R0.1 C=CCC(C)COCCCC(=O)OCC 34a_100009832082_100009991533 [0,2,0,0,0,0|0,0,2]=4 10947 B14R0.1 C=CCC(C)COCCCC(=O)OCC 7a_100009832082_100011215271 [0,2,0,0,0,0|0,0,2]=4 10948 B14R0.1 C=CCN(C)CCCCCC(=O)OCC 2230a_100000225617_100000755133 [0,2,0,0,0,0|0,0,2]=4 10949 B14R0.1 C=CCN(C)CCCCCC(=O)OCC 269982a_100000225617_100000755133 [0,2,0,0,0,0|0,0,2]=4 10950 B14R0.1 C=CC[C@@H](C)OCCCCC(=O)OCC 34a_100000731007_100000750268 [0,2,0,0,0,0|0,0,2]=4 10951 B14R0.1 C=CC[C@@H](C)OCCCCC(=O)OCC 7a_100000731007_100000750268 [0,2,0,0,0,0|0,0,2]=4 10952 B14R0.1 C=CC[C@@H](N)COCCCC(=O)OCC 34a_100020615467_100009991533 [0,2,0,0,0,0|0,0,2]=4 10953 B14R0.1 C=COC(=O)COCCCC(C)CCC 34a_100011713154_100000036128 [0,2,0,0,0,0|0,0,2]=4 10954 B14R0.1 CC#CC(=O)CCCCCC(=O)OCC 1458a_100000763181_100000755133 [0,2,0,0,0,0|0,0,2]=4 10955 B14R0.1 CC#CC(C)OCCCCC(=O)OCC 34a_100011216543_100000750268 [0,2,0,0,0,0|0,0,2]=4 10956 B14R0.1 CC=CC(=O)CCCCCC(=O)OCC 1458a_100000210699_100000755133 [0,2,0,0,0,0|0,0,2]=4 10957 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210303 [0,2,0,0,0,0|0,0,0]=2 10958 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000211992_100000755133 [0,2,0,0,0,0|0,0,0]=2 10959 B14R0.1 CCCC(=O)CCCOCC(=O)OCC 1458a_100000211992_100009893628 [0,2,0,0,0,0|0,0,1]=3 10960 B14R0.1 CCCC(=O)COCCCC(=O)OCC 7a_100012001163_100000747444 [0,2,0,0,0,0|0,0,1]=3 10961 B14R0.1 CCCC(=O)COCCCC(C)CCC 7a_100011713154_100000747444 [0,2,0,0,0,0|1,0,0]=3 10962 B14R0.1 CCCC(=O)CSCCCC(=O)OCC 62a_100000747444_100009991533 [0,2,0,0,0,0|0,0,1]=3 10963 B14R0.1 CCCC(=O)CSCCCC(=O)OCC 62a_100009991533_100000747444 [0,2,0,0,0,0|0,0,1]=3 10964 B14R0.1 CCCC(=O)CSCCNC(=O)OCC 62a_100000747444_200011445536 [0,2,0,0,0,0|1,0,1]=4 10965 B14R0.1 CCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000211992 [0,2,0,0,0,0|0,0,1]=3 10966 B14R0.1 CCCC(=O)OCOCCC(C)CCC 34a_100011217855_100000034017 [0,2,0,0,0,0|2,0,0]=4 10967 B14R0.1 CCCC(=O)OCOCC[C@@H](N)CCC 34a_100015193777_100000034017 [0,2,0,0,0,0|2,0,0]=4 10968 B14R0.1 CCCC(=O)OCSCCC(=O)OCC 62a_100000765890_100000034017 [0,2,0,0,0,0|1,0,1]=4 10969 B14R0.1 CCCC(C)CCCOCC(=O)NCC 34a_100011713154_100000183381 [0,2,0,0,0,0|1,0,0]=3 10970 B14R0.1 CCCC(C)CCCOCC(=O)NCC 7a_100011713154_100000183381 [0,2,0,0,0,0|1,0,0]=3 10971 B14R0.1 CCCC(C)CCCOCC(=O)NCO 34a_100011713154_100000185155 [0,2,0,0,0,0|2,0,0]=4 10972 B14R0.1 CCCC(C)CCCOCC(=O)NCO 7a_100011713154_100000185155 [0,2,0,0,0,0|2,0,0]=4 10973 B14R0.1 CCCC(C)CCCOCC(=O)OCC 34a_100011713154_100000188475 [0,2,0,0,0,0|0,0,0]=2 10974 B14R0.1 CCCC(C)CCCOCC(=O)OCC 7a_100011713154_100000188475 [0,2,0,0,0,0|0,0,0]=2 10975 B14R0.1 CCCC(C)CCOCCC(=O)NCC 7a_100011217855_100000737597 [0,2,0,0,0,0|1,0,0]=3 10976 B14R0.1 CCCC(C)CCOCCC(=O)OCC 34a_100011217855_100000765890 [0,2,0,0,0,0|0,0,0]=2 10977 B14R0.1 CCCC(C)CCOCCC(=O)OCC 7a_100011217855_100011206558 [0,2,0,0,0,0|0,0,0]=2 10978 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 34a_100000688023_100016267167 [0,2,0,0,0,0|0,0,2]=4 10979 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 7a_100000688023_100016267167 [0,2,0,0,0,0|0,0,2]=4 10980 B14R0.1 CCCC(C)COCCCC(=O)OCC 34a_100000688023_100009991533 [0,2,0,0,0,0|0,0,0]=2 10981 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100000688023_100011215271 [0,2,0,0,0,0|0,0,0]=2 10982 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100012001163_100011216630 [0,2,0,0,0,0|0,0,0]=2 10983 B14R0.1 CCCC(C)COCCNC(=O)OCC 34a_100000158857_100011216630 [0,2,0,0,0,0|1,0,0]=3 10984 B14R0.1 CCCC(C)COCCNC(=O)OCC 7a_100000688023_200011445536 [0,2,0,0,0,0|1,0,0]=3 10985 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100011216630_100016267167 [0,2,0,0,0,0|0,0,2]=4 10986 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100016267167_100011216630 [0,2,0,0,0,0|0,0,2]=4 10987 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100009991533_100011216630 [0,2,0,0,0,0|0,0,0]=2 10988 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100011216630_100009991533 [0,2,0,0,0,0|0,0,0]=2 10989 B14R0.1 CCCC(C)CSCCNC(=O)OCC 62a_100011216630_200011445536 [0,2,0,0,0,0|1,0,0]=3 10990 B14R0.1 CCCC(C)NCCCCC(=O)OCC 2230a_100000741246_100000750268 [0,2,0,0,0,0|0,0,0]=2 10991 B14R0.1 CCCC(C)NCCOCC(=O)OCC 2230a_100000741246_100000088970 [0,2,0,0,0,0|1,0,0]=3 10992 B14R0.1 CCCC(C)OCCCCC(=O)OCC 34a_100000764384_100000750268 [0,2,0,0,0,0|0,0,0]=2 10993 B14R0.1 CCCC(C)OCCCCC(=O)OCC 7a_100000764384_100000750268 [0,2,0,0,0,0|0,0,0]=2 10994 B14R0.1 CCCC(C)OCCOCC(=O)OCC 34a_100000764384_100000088970 [0,2,0,0,0,0|1,0,0]=3 10995 B14R0.1 CCCC(C)OCCOCC(=O)OCC 7a_100000764384_100000088970 [0,2,0,0,0,0|1,0,0]=3 10996 B14R0.1 CCCC(C)OCCSCC(=O)OCC 7a_200000230590_100000766640 [0,2,0,0,0,0|1,0,0]=3 10997 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000750268_100000766640 [0,2,0,0,0,0|0,0,0]=2 10998 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000766640_100000750268 [0,2,0,0,0,0|0,0,0]=2 10999 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000088970_100000766640 [0,2,0,0,0,0|1,0,0]=3 11000 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000766640_100000088970 [0,2,0,0,0,0|1,0,0]=3 11001 B14R0.1 CCCN(C)CCCCCC(=O)OCC 2230a_100000747261_100000755133 [0,2,0,0,0,0|0,0,0]=2 11002 B14R0.1 CCCN(C)CCCCCC(=O)OCC 269982a_100000747261_100000755133 [0,2,0,0,0,0|0,0,0]=2 11003 B14R0.1 CCCN(C)CCCOCC(=O)OCC 2230a_100000747261_100009893628 [0,2,0,0,0,0|1,0,0]=3 11004 B14R0.1 CCCN(C)CCCOCC(=O)OCC 269982a_100000747261_100009893628 [0,2,0,0,0,0|1,0,0]=3 11005 B14R0.1 CCC[C@H](N)CCOCCC(=O)OCC 34a_100015193777_100000765890 [0,2,0,0,0,0|0,0,0]=2 11006 B14R0.1 CCC[C@H](N)COC/C=C/C(=O)OCC 34a_100000732646_100016267167 [0,2,0,0,0,0|0,0,2]=4 11007 B14R0.1 CCC[C@H](N)COCCCC(=O)OCC 34a_100000732646_100009991533 [0,2,0,0,0,0|0,0,0]=2 11008 B14R0.1 CCNC(=O)CCCCCC(=O)OCC 11a_100015525214_100000037472 [0,2,0,0,0,0|0,0,1]=3 11009 B14R0.1 CCNC(=O)CCCCCC(=O)OCC 240690a_100015525214_100000037472 [0,2,0,0,0,0|0,0,1]=3 11010 B14R0.1 CCNC(=O)CCCCCC(=O)OCC 527a_100015525214_100000037472 [0,2,0,0,0,0|0,0,1]=3 11011 B14R0.1 CCNC(=O)CCNCCC(=O)OCC 34a_100025743525_100000765890 [0,2,0,0,0,0|1,0,1]=4 11012 B14R0.1 CCNC(=O)CCSCCC(=O)OCC 62a_100000737597_100000765890 [0,2,0,0,0,0|1,0,1]=4 11013 B14R0.1 CCNC(=O)CCSCCC(=O)OCC 62a_100000765890_100000737597 [0,2,0,0,0,0|1,0,1]=4 11014 B14R0.1 CCNC(=O)CNCCCC(=O)OCC 2230a_100016988866_100009991533 [0,2,0,0,0,0|1,0,1]=4 11015 B14R0.1 CCNC(=O)COCCCC(=O)OCC 7a_100012001163_100000183381 [0,2,0,0,0,0|1,0,1]=4 11016 B14R0.1 CCNC(=O)CSCCCC(=O)OCC 62a_100000183381_100009991533 [0,2,0,0,0,0|1,0,1]=4 11017 B14R0.1 CCNC(=O)CSCCCC(=O)OCC 62a_100009991533_100000183381 [0,2,0,0,0,0|1,0,1]=4 11018 B14R0.1 CCOC(=O)CCCCCC(=O)CC#N 1458a_100000037472_100011214920 [0,2,0,0,0,0|0,0,2]=4 11019 B14R0.1 CCOC(=O)CCCCCC(=O)CC#N 1458a_100051588842_100000755133 [0,2,0,0,0,0|0,0,2]=4 11020 B14R0.1 CCOC(=O)CCCCCC(=O)CCF 1458a_100000037472_100011217306 [0,2,0,0,0,0|0,0,1]=3 11021 B14R0.1 CCOC(=O)CCCCCC(=O)CCO 1458a_100000037472_100000211926 [0,2,0,0,0,0|0,0,1]=3 11022 B14R0.1 CCOC(=O)CCCCCC(=O)CCO 1458a_100011216618_100000755133 [0,2,0,0,0,0|0,0,1]=3 11023 B14R0.1 CCOC(=O)CCCCCC(=O)COC 1458a_100000210968_100000755133 [0,2,0,0,0,0|0,0,1]=3 11024 B14R0.1 CCOC(=O)CCCCCC(=O)CSC 1458a_100000184570_100000755133 [0,2,0,0,0,0|0,0,1]=3 11025 B14R0.1 CCOC(=O)CCCCCC(=O)NNC 22a_100016993582_100000037472 [0,2,0,0,0,0|1,0,1]=4 11026 B14R0.1 CCOC(=O)CCCCCN(C)CC#N 2230a_100000748184_100000755133 [0,2,0,0,0,0|1,0,1]=4 11027 B14R0.1 CCOC(=O)CCCCCN(C)CCO 2230a_100000210263_100000755133 [0,2,0,0,0,0|1,0,0]=3 11028 B14R0.1 CCOC(=O)CCCCCN(C)CCO 269982a_100000210263_100000755133 [0,2,0,0,0,0|1,0,0]=3 11029 B14R0.1 CCOC(=O)CCCCNC(=O)COC 188690a_100000718961_100000210968 [0,2,0,0,0,0|1,0,1]=4 11030 B14R0.1 CCOC(=O)CCCCNC(=O)CSC 188690a_100000718961_100000184570 [0,2,0,0,0,0|1,0,1]=4 11031 B14R0.1 CCOC(=O)CCCCN[C@@H](C)CC#N 2230a_100016994482_100000750268 [0,2,0,0,0,0|1,0,1]=4 11032 B14R0.1 CCOC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000750268 [0,2,0,0,0,0|1,0,0]=3 11033 B14R0.1 CCOC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000750268 [0,2,0,0,0,0|1,0,0]=3 11034 B14R0.1 CCOC(=O)CCCCN[C@H](C)COC 2230a_100000764878_100000750268 [0,2,0,0,0,0|1,0,0]=3 11035 B14R0.1 CCOC(=O)CCCCOC(C)CCBr 34a_100012276601_100000750268 [0,2,0,0,0,0|1,0,0]=3 11036 B14R0.1 CCOC(=O)CCCCO[C@H](C)COC 34a_100011934205_100000750268 [0,2,0,0,0,0|1,0,0]=3 11037 B14R0.1 CCOC(=O)CCCCSC(C)CC#N 62a_100000750268_100009813641 [0,2,0,0,0,0|1,0,1]=4 11038 B14R0.1 CCOC(=O)CCCCSC(C)CC#N 62a_100009813641_100000750268 [0,2,0,0,0,0|1,0,1]=4 11039 B14R0.1 CCOC(=O)CCCCSC(C)CCO 62a_100000750268_100009893172 [0,2,0,0,0,0|1,0,0]=3 11040 B14R0.1 CCOC(=O)CCCCSC(C)CCO 62a_100009893172_100000750268 [0,2,0,0,0,0|1,0,0]=3 11041 B14R0.1 CCOC(=O)CCCCSC(C)COC 62a_100000750268_100000765312 [0,2,0,0,0,0|1,0,0]=3 11042 B14R0.1 CCOC(=O)CCCCSC(C)COC 62a_100000765312_100000750268 [0,2,0,0,0,0|1,0,0]=3 11043 B14R0.1 CCOC(=O)CCCNCC(O)COC 2230a_100000756049_100009991533 [0,2,0,0,0,0|1,0,0]=3 11044 B14R0.1 CCOC(=O)CCCNCC(O)COC 34a_100000756049_100009991533 [0,2,0,0,0,0|1,0,0]=3 11045 B14R0.1 CCOC(=O)CCCOCC(=O)OCC 7a_100012001163_100000188475 [0,2,0,0,0,0|1,0,1]=4 11046 B14R0.1 CCOC(=O)CCCOCC(C)CCN 34a_106354213184_100009991533 [0,2,0,0,0,0|1,0,0]=3 11047 B14R0.1 CCOC(=O)CCCOCC(N)COC 34a_100000724102_100009991533 [0,2,0,0,0,0|1,0,0]=3 11048 B14R0.1 CCOC(=O)CCCOCC(O)COC 7a_100012001163_100011215053 [0,2,0,0,0,0|1,0,0]=3 11049 B14R0.1 CCOC(=O)CCCOC[C@@H](O)CC#N 7a_100012001163_100000001066 [0,2,0,0,0,0|1,0,1]=4 11050 B14R0.1 CCOC(=O)CCCSCC(=O)OCC 62a_100000188475_100009991533 [0,2,0,0,0,0|1,0,1]=4 11051 B14R0.1 CCOC(=O)CCCSCC(=O)OCC 62a_100009991533_100000188475 [0,2,0,0,0,0|1,0,1]=4 11052 B14R0.1 CCOC(=O)CCCSCC(O)COC 62a_100009991533_100011215053 [0,2,0,0,0,0|1,0,0]=3 11053 B14R0.1 CCOC(=O)CCCSCC(O)COC 62a_100011215053_100009991533 [0,2,0,0,0,0|1,0,0]=3 11054 B14R0.1 CCOC(=O)CCCSC[C@@H](O)CC#N 62a_100000001066_100009991533 [0,2,0,0,0,0|1,0,1]=4 11055 B14R0.1 CCOC(=O)CCCSC[C@@H](O)CC#N 62a_100009991533_100000001066 [0,2,0,0,0,0|1,0,1]=4 11056 B14R0.1 CCOC(=O)CCSCCC(=O)OCC 62a_100000765890_100000765890 [0,2,0,0,0,0|1,0,1]=4 11057 B14R0.1 CCOC(=O)COCCCC(=O)CCO 1458a_100011216618_100009893628 [0,2,0,0,0,0|1,0,1]=4 11058 B14R0.1 CCOC(=O)COCCCC(=O)COC 1458a_100000210968_100009893628 [0,2,0,0,0,0|1,0,1]=4 11059 B14R0.1 CCOC(=O)COCCCC(=O)CSC 1458a_100000184570_100009893628 [0,2,0,0,0,0|1,0,1]=4 11060 B14R0.1 CCOC(=O)COCCCN(C)CCO 2230a_100000210263_100009893628 [0,2,0,0,0,0|2,0,0]=4 11061 B14R0.1 CCOC(=O)COCCCN(C)CCO 269982a_100000210263_100009893628 [0,2,0,0,0,0|2,0,0]=4 11062 B14R0.1 CCOC(=O)COCCN[C@H](C)CCO 2230a_100000706166_100000088970 [0,2,0,0,0,0|2,0,0]=4 11063 B14R0.1 CCOC(=O)COCCN[C@H](C)CCO 34a_100000706166_100000088970 [0,2,0,0,0,0|2,0,0]=4 11064 B14R0.1 CCOC(=O)COCCN[C@H](C)COC 2230a_100000764878_100000088970 [0,2,0,0,0,0|2,0,0]=4 11065 B14R0.1 CCOC(=O)COCCOC(C)CCBr 34a_100012276601_100000088970 [0,2,0,0,0,0|2,0,0]=4 11066 B14R0.1 CCOC(=O)COCCO[C@H](C)COC 34a_100011934205_100000088970 [0,2,0,0,0,0|2,0,0]=4 11067 B14R0.1 CCOC(=O)COCCSC(C)CCO 62a_100000088970_100009893172 [0,2,0,0,0,0|2,0,0]=4 11068 B14R0.1 CCOC(=O)COCCSC(C)CCO 62a_100009893172_100000088970 [0,2,0,0,0,0|2,0,0]=4 11069 B14R0.1 CCOC(=O)COCCSC(C)COC 62a_100000088970_100000765312 [0,2,0,0,0,0|2,0,0]=4 11070 B14R0.1 CCOC(=O)COCCSC(C)COC 62a_100000765312_100000088970 [0,2,0,0,0,0|2,0,0]=4 11071 B14R0.1 CCOC(=O)CSCCOC(C)CCO 7a_200000230590_100009893172 [0,2,0,0,0,0|2,0,0]=4 11072 B14R0.1 CCOC(=O)CSCCOC(C)COC 7a_200000230590_100000765312 [0,2,0,0,0,0|2,0,0]=4 11073 B14R0.1 CCOC(=O)NCCOCC(O)COC 34a_100000158857_100011215053 [0,2,0,0,0,0|2,0,0]=4 11074 B14R0.1 CCOC(=O)NCCSCC(O)COC 62a_100011215053_200011445536 [0,2,0,0,0,0|2,0,0]=4 11075 B14R0.32 C#CC(=O)CCCCCCC(=O)OCC 1458a_100000211873_100009814379 [0,2,0,0,0,0|0,0,2]=4 11076 B14R0.32 C#CC(C)NCCCCCC(=O)OCC 2230a_100000707721_100000755133 [0,2,0,0,0,0|1,0,0]=3 11077 B14R0.32 C#CC(C)NCCCCCC(=O)OCC 34a_100000707721_100000755133 [0,2,0,0,0,0|1,0,0]=3 11078 B14R0.32 C#CC(C)NCCCOCC(=O)OCC 2230a_100000707721_100009893628 [0,2,0,0,0,0|2,0,0]=4 11079 B14R0.32 C#CC(C)NCCCOCC(=O)OCC 34a_100000707721_100009893628 [0,2,0,0,0,0|2,0,0]=4 11080 B14R0.32 C#CC(C)SCCCCCC(=O)OCC 62a_200000035995_100000755133 [0,2,0,0,0,0|1,0,0]=3 11081 B14R0.32 C#CC(C)SCCCOCC(=O)OCC 62a_200000035995_100009893628 [0,2,0,0,0,0|2,0,0]=4 11082 B14R0.32 C#C[C@@H](C)OCCCCCC(=O)OCC 34a_100009815206_100000755133 [0,2,0,0,0,0|1,0,0]=3 11083 B14R0.32 C#C[C@@H](C)OCCCCCC(=O)OCC 7a_100009815206_100000755133 [0,2,0,0,0,0|1,0,0]=3 11084 B14R0.32 C#C[C@@H](C)OCCCOCC(=O)OCC 34a_100009815206_100009893628 [0,2,0,0,0,0|2,0,0]=4 11085 B14R0.32 C#C[C@@H](C)OCCCOCC(=O)OCC 7a_100009815206_100009893628 [0,2,0,0,0,0|2,0,0]=4 11086 B14R0.32 C=CC(=O)CCCCCCC(=O)OCC 1458a_100000185746_100009814379 [0,2,0,0,0,0|0,0,2]=4 11087 B14R0.32 C=CC(C)COCCCCC(=O)OCC 34a_100011215527_100000750268 [0,2,0,0,0,0|1,0,0]=3 11088 B14R0.32 C=CC(C)COCCCCC(=O)OCC 7a_100011215527_100000750268 [0,2,0,0,0,0|1,0,0]=3 11089 B14R0.32 C=CC(C)COCCOCC(=O)OCC 34a_100011215527_100000088970 [0,2,0,0,0,0|2,0,0]=4 11090 B14R0.32 C=CC(C)COCCOCC(=O)OCC 7a_100011215527_100000088970 [0,2,0,0,0,0|2,0,0]=4 11091 B14R0.32 C=CC(C)OCCCCCC(=O)OCC 34a_100000695699_100000755133 [0,2,0,0,0,0|1,0,0]=3 11092 B14R0.32 C=CC(C)OCCCOCC(=O)OCC 34a_100000695699_100009893628 [0,2,0,0,0,0|2,0,0]=4 11093 B14R0.32 C=CC(C)SCCCCCC(=O)OCC 62a_100011215867_100000755133 [0,2,0,0,0,0|1,0,0]=3 11094 B14R0.32 C=CC(C)SCCCOCC(=O)OCC 62a_100011215867_100009893628 [0,2,0,0,0,0|2,0,0]=4 11095 B14R0.32 C=CC(O)CSCCCCC(=O)OCC 62a_100000730141_100000750268 [0,2,0,0,0,0|0,0,2]=4 11096 B14R0.32 C=CC(O)CSCCCCC(=O)OCC 62a_100000750268_100000730141 [0,2,0,0,0,0|0,0,2]=4 11097 B14R0.32 C=C[C@H](N)COCCCCC(=O)OCC 34a_100016989147_100000750268 [0,2,0,0,0,0|0,0,2]=4 11098 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210303 [0,2,0,0,0,0|1,0,1]=4 11099 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000211992_100009815986 [0,2,0,0,0,0|1,0,1]=4 11100 B14R0.32 CCNC(=O)CCCCCCC(=O)OC 11a_100015525214_100000036694 [0,2,0,0,0,0|1,0,1]=4 11101 B14R0.32 CCNC(=O)CCCCCCC(=O)OC 240690a_100015525214_100000036694 [0,2,0,0,0,0|1,0,1]=4 11102 B14R0.32 CCNC(=O)CCOCCCC(C)CC 7a_100011216074_100000737597 [0,2,0,0,0,0|1,0,0]=3 11103 B14R0.32 CCNC(=O)CCSCCCN(C)CC 62a_100000737597_100015186262 [0,2,0,0,0,0|2,0,0]=4 11104 B14R0.32 CCOC(=O)/C=C/CNCCC(C)CC 2230a_100020591266_100016267167 [0,2,0,0,0,0|0,0,2]=4 11105 B14R0.32 CCOC(=O)/C=C/COCCC(C)CC 7a_100011215188_100016267167 [0,2,0,0,0,0|0,0,2]=4 11106 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000031895_100000210202 [0,2,0,0,0,0|0,0,0]=2 11107 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000210414_100009814379 [0,2,0,0,0,0|0,0,0]=2 11108 B14R0.32 CCOC(=O)CCCCCCC(=O)CF 1458a_100000031895_100015361967 [0,2,0,0,0,0|0,0,1]=3 11109 B14R0.32 CCOC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009814379 [0,2,0,0,0,0|0,0,1]=3 11110 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 11a_106832991635_100000031895 [0,2,0,0,0,0|0,0,1]=3 11111 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 1626a_100102657272_100000031895 [0,2,0,0,0,0|0,0,1]=3 11112 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 240690a_100102657272_100000031895 [0,2,0,0,0,0|0,0,1]=3 11113 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 527a_100102657272_100000031895 [0,2,0,0,0,0|0,0,1]=3 11114 B14R0.32 CCOC(=O)CCCCCCN(C)CC 2230a_100000225621_100009814379 [0,2,0,0,0,0|0,0,0]=2 11115 B14R0.32 CCOC(=O)CCCCCCN(C)CC 269982a_100000225621_100009814379 [0,2,0,0,0,0|0,0,0]=2 11116 B14R0.32 CCOC(=O)CCCCCNC(=O)CC 188690a_100000062434_100000210414 [0,2,0,0,0,0|0,0,1]=3 11117 B14R0.32 CCOC(=O)CCCCCNC(=O)CO 188690a_100000062434_100000210174 [0,2,0,0,0,0|1,0,1]=4 11118 B14R0.32 CCOC(=O)CCCCCNC(C)C#N 2230a_100000737613_100000755133 [0,2,0,0,0,0|1,0,0]=3 11119 B14R0.32 CCOC(=O)CCCCCNC(C)CC 2230a_100000209981_100000755133 [0,2,0,0,0,0|0,0,0]=2 11120 B14R0.32 CCOC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100000755133 [0,2,0,0,0,0|1,0,0]=3 11121 B14R0.32 CCOC(=O)CCCCCOC(C)C#N 34a_100011218135_100000755133 [0,2,0,0,0,0|1,0,0]=3 11122 B14R0.32 CCOC(=O)CCCCCOC(C)C#N 7a_100011214988_100000703298 [0,2,0,0,0,0|1,0,0]=3 11123 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100000210228_100000755133 [0,2,0,0,0,0|0,0,0]=2 11124 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100011214988_100000758301 [0,2,0,0,0,0|0,0,0]=2 11125 B14R0.32 CCOC(=O)CCCCCOC(C)CF 34a_100016041109_100000755133 [0,2,0,0,0,0|1,0,0]=3 11126 B14R0.32 CCOC(=O)CCCCCOC(C)CF 7a_100016041109_100000755133 [0,2,0,0,0,0|1,0,0]=3 11127 B14R0.32 CCOC(=O)CCCCCOC(C)CN 34a_100000210904_100000755133 [0,2,0,0,0,0|1,0,0]=3 11128 B14R0.32 CCOC(=O)CCCCCOC(C)CO 7a_100011214988_100012180447 [0,2,0,0,0,0|1,0,0]=3 11129 B14R0.32 CCOC(=O)CCCCCSC(C)C#N 62a_100000703298_100000755133 [0,2,0,0,0,0|1,0,0]=3 11130 B14R0.32 CCOC(=O)CCCCCSC(C)C#N 62a_100000755133_100000703298 [0,2,0,0,0,0|1,0,0]=3 11131 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000755133_100000758301 [0,2,0,0,0,0|0,0,0]=2 11132 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000758301_100000755133 [0,2,0,0,0,0|0,0,0]=2 11133 B14R0.32 CCOC(=O)CCCCCSC(C)CO 62a_100012180447_100000755133 [0,2,0,0,0,0|1,0,0]=3 11134 B14R0.32 CCOC(=O)CCCCCSC(C)OC 62a_100000755133_100009879195 [0,2,0,0,0,0|1,0,0]=3 11135 B14R0.32 CCOC(=O)CCCCCSC(C)OC 62a_100009879195_100000755133 [0,2,0,0,0,0|1,0,0]=3 11136 B14R0.32 CCOC(=O)CCCCCSC(F)C#N 62a_100000755133_200000117898 [0,2,0,0,0,0|1,0,1]=4 11137 B14R0.32 CCOC(=O)CCCCCSC(F)C#N 62a_200000117898_100000755133 [0,2,0,0,0,0|1,0,1]=4 11138 B14R0.32 CCOC(=O)CCCCCS[C@H](C)CO 62a_100000755133_100016084084 [0,2,0,0,0,0|1,0,0]=3 11139 B14R0.32 CCOC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100000755133 [0,2,0,0,0,0|1,0,0]=3 11140 B14R0.32 CCOC(=O)CCCCNCC(=O)NC 2230a_100000693194_100000750268 [0,2,0,0,0,0|1,0,1]=4 11141 B14R0.32 CCOC(=O)CCCCNCC(C)CC 2230a_100020588543_100000750268 [0,2,0,0,0,0|0,0,0]=2 11142 B14R0.32 CCOC(=O)CCCCNCC(C)CO 34a_100000744482_100000750268 [0,2,0,0,0,0|1,0,0]=3 11143 B14R0.32 CCOC(=O)CCCCNCC(O)CC 2230a_100011218483_100000750268 [0,2,0,0,0,0|0,0,0]=2 11144 B14R0.32 CCOC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000750268 [0,2,0,0,0,0|1,0,0]=3 11145 B14R0.32 CCOC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000750268 [0,2,0,0,0,0|1,0,0]=3 11146 B14R0.32 CCOC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000750268 [0,2,0,0,0,0|1,0,0]=3 11147 B14R0.32 CCOC(=O)CCCCOCC(=O)CC 34a_100000725409_100000750268 [0,2,0,0,0,0|0,0,1]=3 11148 B14R0.32 CCOC(=O)CCCCOCC(=O)NC 34a_100000750040_100000750268 [0,2,0,0,0,0|1,0,1]=4 11149 B14R0.32 CCOC(=O)CCCCOCC(C)CN 34a_100000744482_100000750268 [0,2,0,0,0,0|1,0,0]=3 11150 B14R0.32 CCOC(=O)CCCCOCC(C)OC 34a_100000690652_100000750268 [0,2,0,0,0,0|1,0,0]=3 11151 B14R0.32 CCOC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000750268 [0,2,0,0,0,0|1,0,0]=3 11152 B14R0.32 CCOC(=O)CCCCOC[C@@H](C)CC 7a_100009816381_100000750268 [0,2,0,0,0,0|0,0,0]=2 11153 B14R0.32 CCOC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000750268 [0,2,0,0,0,0|1,0,0]=3 11154 B14R0.32 CCOC(=O)CCCCSCC(=O)CC 62a_100000747405_100000750268 [0,2,0,0,0,0|0,0,1]=3 11155 B14R0.32 CCOC(=O)CCCCSCC(=O)CC 62a_100000750268_100000747405 [0,2,0,0,0,0|0,0,1]=3 11156 B14R0.32 CCOC(=O)CCCCSCC(=O)NC 62a_100000183359_100000750268 [0,2,0,0,0,0|1,0,1]=4 11157 B14R0.32 CCOC(=O)CCCCSCC(=O)NC 62a_100000750268_100000183359 [0,2,0,0,0,0|1,0,1]=4 11158 B14R0.32 CCOC(=O)CCCCSCC(=O)OC 62a_100000747449_100000750268 [0,2,0,0,0,0|1,0,1]=4 11159 B14R0.32 CCOC(=O)CCCCSCC(=O)OC 62a_100000750268_100000747449 [0,2,0,0,0,0|1,0,1]=4 11160 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000748023_100000750268 [0,2,0,0,0,0|0,0,0]=2 11161 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000750268_100000748023 [0,2,0,0,0,0|0,0,0]=2 11162 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100000750268_100011218378 [0,2,0,0,0,0|0,0,0]=2 11163 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100011218378_100000750268 [0,2,0,0,0,0|0,0,0]=2 11164 B14R0.32 CCOC(=O)CCCCSCC(O)CO 62a_100000750268_100011219619 [0,2,0,0,0,0|1,0,0]=3 11165 B14R0.32 CCOC(=O)CCCCSCC(O)CO 62a_100011219619_100000750268 [0,2,0,0,0,0|1,0,0]=3 11166 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100000750268_100009816398 [0,2,0,0,0,0|0,0,0]=2 11167 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100009816398_100000750268 [0,2,0,0,0,0|0,0,0]=2 11168 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000750268 [0,2,0,0,0,0|1,0,0]=3 11169 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CO 62a_100000750268_100000059175 [0,2,0,0,0,0|1,0,0]=3 11170 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CF 62a_100000750268_100015614560 [0,2,0,0,0,0|1,0,0]=3 11171 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000750268 [0,2,0,0,0,0|1,0,0]=3 11172 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CO 62a_100000750268_100009815848 [0,2,0,0,0,0|1,0,0]=3 11173 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000750268 [0,2,0,0,0,0|1,0,0]=3 11174 B14R0.32 CCOC(=O)CCCNCCC(=O)NC 2230a_100000738227_100009991533 [0,2,0,0,0,0|1,0,1]=4 11175 B14R0.32 CCOC(=O)CCCNCCC(=O)NC 34a_100000738227_100009991533 [0,2,0,0,0,0|1,0,1]=4 11176 B14R0.32 CCOC(=O)CCCNCCC(C)CC 2230a_100020591266_100009991533 [0,2,0,0,0,0|0,0,0]=2 11177 B14R0.32 CCOC(=O)CCCNCCC(C)CO 2230a_106354213184_100009991533 [0,2,0,0,0,0|1,0,0]=3 11178 B14R0.32 CCOC(=O)CCCNCCC(C)CO 34a_106354213184_100009991533 [0,2,0,0,0,0|1,0,0]=3 11179 B14R0.32 CCOC(=O)CCCOCCC(=O)NC 34a_100000754576_100009991533 [0,2,0,0,0,0|1,0,1]=4 11180 B14R0.32 CCOC(=O)CCCOCCC(=O)NC 7a_100012001163_100000737683 [0,2,0,0,0,0|1,0,1]=4 11181 B14R0.32 CCOC(=O)CCCOCCC(=O)OC 7a_100012001163_100000204255 [0,2,0,0,0,0|1,0,1]=4 11182 B14R0.32 CCOC(=O)CCCOCCC(C)CC 7a_100011215188_100011215271 [0,2,0,0,0,0|0,0,0]=2 11183 B14R0.32 CCOC(=O)CCCOCCC(C)OC 7a_100000764861_100011215271 [0,2,0,0,0,0|1,0,0]=3 11184 B14R0.32 CCOC(=O)CCCSCCC(=O)NC 62a_100000737683_100009991533 [0,2,0,0,0,0|1,0,1]=4 11185 B14R0.32 CCOC(=O)CCCSCCC(=O)NC 62a_100009991533_100000737683 [0,2,0,0,0,0|1,0,1]=4 11186 B14R0.32 CCOC(=O)CCCSCCC(=O)OC 62a_100000204255_100009991533 [0,2,0,0,0,0|1,0,1]=4 11187 B14R0.32 CCOC(=O)CCCSCCC(=O)OC 62a_100009991533_100000204255 [0,2,0,0,0,0|1,0,1]=4 11188 B14R0.32 CCOC(=O)CCNCCCC(=O)NC 2230a_100000740002_100011206558 [0,2,0,0,0,0|1,0,1]=4 11189 B14R0.32 CCOC(=O)CCNCCCC(=O)NC 34a_100000740002_100000765890 [0,2,0,0,0,0|1,0,1]=4 11190 B14R0.32 CCOC(=O)CCNCCNC(=O)CC 34a_100132302217_100000765890 [0,2,0,0,0,0|1,0,1]=4 11191 B14R0.32 CCOC(=O)CCOCCCC(C)CC 7a_100011216074_100011206558 [0,2,0,0,0,0|0,0,0]=2 11192 B14R0.32 CCOC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000765890 [0,2,0,0,0,0|1,0,0]=3 11193 B14R0.32 CCOC(=O)CCOCCNC(=O)CC 34a_200000158885_100000765890 [0,2,0,0,0,0|1,0,1]=4 11194 B14R0.32 CCOC(=O)CCOCCNC(=O)CC 7a_200000158885_100011206558 [0,2,0,0,0,0|1,0,1]=4 11195 B14R0.32 CCOC(=O)CCOCCOC(=O)CC 7a_200000031056_100011206558 [0,2,0,0,0,0|1,0,1]=4 11196 B14R0.32 CCOC(=O)CCSCCCC(=O)NC 62a_100000741757_100000765890 [0,2,0,0,0,0|1,0,1]=4 11197 B14R0.32 CCOC(=O)CCSCCCC(=O)NC 62a_100000765890_100000741757 [0,2,0,0,0,0|1,0,1]=4 11198 B14R0.32 CCOC(=O)CCSCCCC(=O)OC 62a_100000765890_100011218270 [0,2,0,0,0,0|1,0,1]=4 11199 B14R0.32 CCOC(=O)CCSCCCC(=O)OC 62a_100011218270_100000765890 [0,2,0,0,0,0|1,0,1]=4 11200 B14R0.32 CCOC(=O)CCSCCCN(C)CC 62a_100000765890_100015186262 [0,2,0,0,0,0|1,0,0]=3 11201 B14R0.32 CCOC(=O)COCCCCC(=O)OC 34a_100000059025_100000188475 [0,2,0,0,0,0|1,0,1]=4 11202 B14R0.32 CCOC(=O)COCCCCC(=O)OC 7a_100000059025_100000188475 [0,2,0,0,0,0|1,0,1]=4 11203 B14R0.32 CCOC(=O)COCCCNC(C)C#N 2230a_100000737613_100009893628 [0,2,0,0,0,0|2,0,0]=4 11204 B14R0.32 CCOC(=O)COCCCNC(C)CC 2230a_100000209981_100009893628 [0,2,0,0,0,0|1,0,0]=3 11205 B14R0.32 CCOC(=O)COCCCN[C@H](C)CO 2230a_100000737577_100009893628 [0,2,0,0,0,0|2,0,0]=4 11206 B14R0.32 CCOC(=O)COCCCOC(C)C#N 34a_100011218135_100009893628 [0,2,0,0,0,0|2,0,0]=4 11207 B14R0.32 CCOC(=O)COCCCOC(C)CC 7a_100000210228_100009893628 [0,2,0,0,0,0|1,0,0]=3 11208 B14R0.32 CCOC(=O)COCCCOC(C)CF 34a_100016041109_100009893628 [0,2,0,0,0,0|2,0,0]=4 11209 B14R0.32 CCOC(=O)COCCCOC(C)CF 7a_100016041109_100009893628 [0,2,0,0,0,0|2,0,0]=4 11210 B14R0.32 CCOC(=O)COCCCOC(C)CN 34a_100000210904_100009893628 [0,2,0,0,0,0|2,0,0]=4 11211 B14R0.32 CCOC(=O)COCCCSC(C)C#N 62a_100000703298_100009893628 [0,2,0,0,0,0|2,0,0]=4 11212 B14R0.32 CCOC(=O)COCCCSC(C)C#N 62a_100009893628_100000703298 [0,2,0,0,0,0|2,0,0]=4 11213 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100000758301_100009893628 [0,2,0,0,0,0|1,0,0]=3 11214 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100009893628_100000758301 [0,2,0,0,0,0|1,0,0]=3 11215 B14R0.32 CCOC(=O)COCCCSC(C)CO 62a_100012180447_100009893628 [0,2,0,0,0,0|2,0,0]=4 11216 B14R0.32 CCOC(=O)COCCCSC(C)OC 62a_100009879195_100009893628 [0,2,0,0,0,0|2,0,0]=4 11217 B14R0.32 CCOC(=O)COCCCSC(C)OC 62a_100009893628_100009879195 [0,2,0,0,0,0|2,0,0]=4 11218 B14R0.32 CCOC(=O)COCCCS[C@H](C)CO 62a_100009893628_100016084084 [0,2,0,0,0,0|2,0,0]=4 11219 B14R0.32 CCOC(=O)COCCCS[C@H](C)CO 62a_100016084084_100009893628 [0,2,0,0,0,0|2,0,0]=4 11220 B14R0.32 CCOC(=O)COCCNCC(C)CC 2230a_100020588543_100000088970 [0,2,0,0,0,0|1,0,0]=3 11221 B14R0.32 CCOC(=O)COCCNCC(C)CO 34a_100000744482_100000088970 [0,2,0,0,0,0|2,0,0]=4 11222 B14R0.32 CCOC(=O)COCCNCC(O)CC 2230a_100011218483_100000088970 [0,2,0,0,0,0|1,0,0]=3 11223 B14R0.32 CCOC(=O)COCCNC[C@@H](C)OC 2230a_100020591295_100000088970 [0,2,0,0,0,0|2,0,0]=4 11224 B14R0.32 CCOC(=O)COCCNC[C@@H](F)CO 34a_100015665980_100000088970 [0,2,0,0,0,0|2,0,0]=4 11225 B14R0.32 CCOC(=O)COCCNC[C@H](O)CO 2230a_100020644852_100000088970 [0,2,0,0,0,0|2,0,0]=4 11226 B14R0.32 CCOC(=O)COCCOCC(=O)CC 34a_100000725409_100000088970 [0,2,0,0,0,0|1,0,1]=4 11227 B14R0.32 CCOC(=O)COCCOCC(C)CN 34a_100000744482_100000088970 [0,2,0,0,0,0|2,0,0]=4 11228 B14R0.32 CCOC(=O)COCCOCC(C)OC 34a_100000690652_100000088970 [0,2,0,0,0,0|2,0,0]=4 11229 B14R0.32 CCOC(=O)COCCOCC(Cl)CCl 34a_100000033668_100000088970 [0,2,0,0,0,0|2,0,0]=4 11230 B14R0.32 CCOC(=O)COCCOC[C@@H](C)CC 7a_100009816381_100000088970 [0,2,0,0,0,0|1,0,0]=3 11231 B14R0.32 CCOC(=O)COCCOC[C@H](F)CN 34a_100015665980_100000088970 [0,2,0,0,0,0|2,0,0]=4 11232 B14R0.32 CCOC(=O)COCCSCC(=O)CC 62a_100000088970_100000747405 [0,2,0,0,0,0|1,0,1]=4 11233 B14R0.32 CCOC(=O)COCCSCC(=O)CC 62a_100000747405_100000088970 [0,2,0,0,0,0|1,0,1]=4 11234 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000088970_100000748023 [0,2,0,0,0,0|1,0,0]=3 11235 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000748023_100000088970 [0,2,0,0,0,0|1,0,0]=3 11236 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100000088970_100011218378 [0,2,0,0,0,0|1,0,0]=3 11237 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100011218378_100000088970 [0,2,0,0,0,0|1,0,0]=3 11238 B14R0.32 CCOC(=O)COCCSCC(O)CO 62a_100000088970_100011219619 [0,2,0,0,0,0|2,0,0]=4 11239 B14R0.32 CCOC(=O)COCCSCC(O)CO 62a_100011219619_100000088970 [0,2,0,0,0,0|2,0,0]=4 11240 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100000088970_100009816398 [0,2,0,0,0,0|1,0,0]=3 11241 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100009816398_100000088970 [0,2,0,0,0,0|1,0,0]=3 11242 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CO 62a_100000059175_100000088970 [0,2,0,0,0,0|2,0,0]=4 11243 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CO 62a_100000088970_100000059175 [0,2,0,0,0,0|2,0,0]=4 11244 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CF 62a_100000088970_100015614560 [0,2,0,0,0,0|2,0,0]=4 11245 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CF 62a_100015614560_100000088970 [0,2,0,0,0,0|2,0,0]=4 11246 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CO 62a_100000088970_100009815848 [0,2,0,0,0,0|2,0,0]=4 11247 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CO 62a_100009815848_100000088970 [0,2,0,0,0,0|2,0,0]=4 11248 B14R0.32 CCOC(=O)CSCCCCC(=O)OC 62a_100000188475_100000204269 [0,2,0,0,0,0|1,0,1]=4 11249 B14R0.32 CCOC(=O)CSCCCCC(=O)OC 62a_100000204269_100000188475 [0,2,0,0,0,0|1,0,1]=4 11250 B14R0.32 CCOC(=O)CSCCOCC(=O)CC 7a_200000230590_100000747405 [0,2,0,0,0,0|1,0,1]=4 11251 B14R0.32 CCOC(=O)CSCCOCC(C)CC 7a_200000230590_100000748023 [0,2,0,0,0,0|1,0,0]=3 11252 B14R0.32 CCOC(=O)CSCCOCC(O)CC 7a_200000230590_100011218378 [0,2,0,0,0,0|1,0,0]=3 11253 B14R0.32 CCOC(=O)CSCCOCC(O)CO 7a_200000230590_100011219619 [0,2,0,0,0,0|2,0,0]=4 11254 B14R0.32 CCOC(=O)CSCCOC[C@@H](C)CC 7a_200000230590_100009816398 [0,2,0,0,0,0|1,0,0]=3 11255 B14R0.32 CCOC(=O)CSCCOC[C@@H](C)CO 7a_200000230590_100000059175 [0,2,0,0,0,0|2,0,0]=4 11256 B14R0.32 CCOC(=O)CSCCOC[C@@H](O)CF 7a_200000230590_100015614560 [0,2,0,0,0,0|2,0,0]=4 11257 B14R0.32 CCOC(=O)CSCCOC[C@@H](O)CO 7a_200000230590_100009815848 [0,2,0,0,0,0|2,0,0]=4 11258 B14R0.32 CCOC(=O)NCCOCCC(C)CC 7a_100011215188_200011445536 [0,2,0,0,0,0|1,0,0]=3 11259 B14R0.32 CCOC(=O)NCCOCCC(C)OC 7a_100000764861_200011445536 [0,2,0,0,0,0|2,0,0]=4 11260 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012094781 [0,2,0,0,0,0|0,0,2]=4 11261 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000694772_100000188475 [0,2,0,0,0,0|0,0,2]=4 11262 B14R0.73 C#CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100012094781 [0,2,0,0,0,0|0,0,2]=4 11263 B14R0.73 C#CCCCCNC(C)CC(=O)OCC 2230a_100000706060_100009817359 [0,2,0,0,0,0|0,0,2]=4 11264 B14R0.73 C#CCCCCOC(C)CC(=O)OCC 7a_100000766709_100009817359 [0,2,0,0,0,0|0,0,2]=4 11265 B14R0.73 C#CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100010269958 [0,2,0,0,0,0|0,0,2]=4 11266 B14R0.73 C#CCCCCSC(C)CC(=O)OCC 62a_100009817359_100010269958 [0,2,0,0,0,0|0,0,2]=4 11267 B14R0.73 C#CCCCCSC(C)CC(=O)OCC 62a_100010269958_100009817359 [0,2,0,0,0,0|0,0,2]=4 11268 B14R0.73 C#CCCCNC[C@@H](O)CC(=O)OCC 34a_100000718082_100000688340 [0,2,0,0,0,0|0,0,2]=4 11269 B14R0.73 C#CCCCOC[C@@H](O)CC(=O)OCC 34a_100000215630_100000688340 [0,2,0,0,0,0|0,0,2]=4 11270 B14R0.73 C#CCCCOC[C@@H](O)CC(=O)OCC 7a_100000215630_100000688340 [0,2,0,0,0,0|0,0,2]=4 11271 B14R0.73 C#CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215417 [0,2,0,0,0,0|0,0,2]=4 11272 B14R0.73 C#CCCCSC[C@@H](O)CC(=O)OCC 62a_100011215417_100000688340 [0,2,0,0,0,0|0,0,2]=4 11273 B14R0.73 C/C=C/CCOC[C@@H](O)CC(=O)OCC 34a_100016278192_100000688340 [0,2,0,0,0,0|0,0,2]=4 11274 B14R0.73 C=C(CCC)CC(=O)CCCCCCC 1458a_100000138376_100000210614 [0,2,0,0,0,0|2,0,0]=4 11275 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000700193 [0,2,0,0,0,0|0,0,2]=4 11276 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100011934241_100000188475 [0,2,0,0,0,0|0,0,2]=4 11277 B14R0.73 C=CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000700193 [0,2,0,0,0,0|0,0,2]=4 11278 B14R0.73 C=CCCCCNC(C)CC(=O)OCC 2230a_100000703577_100009817359 [0,2,0,0,0,0|0,0,2]=4 11279 B14R0.73 C=CCCCCOC(C)CC(=O)OCC 7a_100000766645_100009817359 [0,2,0,0,0,0|0,0,2]=4 11280 B14R0.73 C=CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215482 [0,2,0,0,0,0|0,0,2]=4 11281 B14R0.73 C=CCCCCSC(C)CC(=O)OCC 62a_100009817359_100011215482 [0,2,0,0,0,0|0,0,2]=4 11282 B14R0.73 C=CCCCCSC(C)CC(=O)OCC 62a_100011215482_100009817359 [0,2,0,0,0,0|0,0,2]=4 11283 B14R0.73 C=CCCCNC[C@@H](O)CC(=O)OCC 34a_100000700776_100000688340 [0,2,0,0,0,0|0,0,2]=4 11284 B14R0.73 C=CCCCOC[C@@H](O)CC(=O)OCC 34a_100000758997_100000688340 [0,2,0,0,0,0|0,0,2]=4 11285 B14R0.73 C=CCCCOC[C@@H](O)CC(=O)OCC 7a_100000758997_100000688340 [0,2,0,0,0,0|0,0,2]=4 11286 B14R0.73 C=CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000757094 [0,2,0,0,0,0|0,0,2]=4 11287 B14R0.73 C=CCCCSC[C@@H](O)CC(=O)OCC 62a_100011713584_100000688340 [0,2,0,0,0,0|0,0,2]=4 11288 B14R0.73 C=COC(=O)CC(=O)CCCCCCC 1458a_100000211969_100000036128 [0,2,0,0,0,0|0,0,2]=4 11289 B14R0.73 C=COC(=O)CN(C)CCCCCCC 2230a_100000228206_100000036128 [0,2,0,0,0,0|0,0,2]=4 11290 B14R0.73 C=COC(=O)CN(C)CCCCCCC 269982a_100000228206_100000036128 [0,2,0,0,0,0|0,0,2]=4 11291 B14R0.73 CC#CCCOC[C@@H](O)CC(=O)OCC 34a_100000750427_100000688340 [0,2,0,0,0,0|0,0,2]=4 11292 B14R0.73 CC/C=C\CCOC(C)CC(=O)OCC 7a_100016288707_100009817359 [0,2,0,0,0,0|0,0,2]=4 11293 B14R0.73 CC/C=C\CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015370543 [0,2,0,0,0,0|0,0,2]=4 11294 B14R0.73 CC/C=C\CCSC(C)CC(=O)OCC 62a_100009817359_100015370543 [0,2,0,0,0,0|0,0,2]=4 11295 B14R0.73 CC/C=C\CCSC(C)CC(=O)OCC 62a_100015370543_100009817359 [0,2,0,0,0,0|0,0,2]=4 11296 B14R0.73 CC/C=C\COC[C@@H](O)CC(=O)OCC 34a_100016268518_100000688340 [0,2,0,0,0,0|0,0,2]=4 11297 B14R0.73 CC/C=C\CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100103147603 [0,2,0,0,0,0|0,0,2]=4 11298 B14R0.73 CC/C=C\CSC[C@@H](O)CC(=O)OCC 62a_100103147603_100000688340 [0,2,0,0,0,0|0,0,2]=4 11299 B14R0.73 CCC#CCCOC(C)CC(=O)OCC 7a_100000036655_100009817359 [0,2,0,0,0,0|0,0,2]=4 11300 B14R0.73 CCC#CCOC[C@@H](O)CC(=O)OCC 34a_100000032950_100000688340 [0,2,0,0,0,0|0,0,2]=4 11301 B14R0.73 CCC#CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100009813939 [0,2,0,0,0,0|0,0,2]=4 11302 B14R0.73 CCC#CCSC[C@@H](O)CC(=O)OCC 62a_100009813939_100000688340 [0,2,0,0,0,0|0,0,2]=4 11303 B14R0.73 CCC/C=C/COC(C)CC(=O)OCC 7a_100016278788_100009817359 [0,2,0,0,0,0|0,0,2]=4 11304 B14R0.73 CCCC#CCOC(C)CC(=O)OCC 7a_100000034806_100009817359 [0,2,0,0,0,0|0,0,2]=4 11305 B14R0.73 CCCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747444 [0,2,0,0,0,0|1,0,1]=4 11306 B14R0.73 CCCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747444 [0,2,0,0,0,0|1,0,1]=4 11307 B14R0.73 CCCC/C=C/CC(=O)CC(=O)OCC 1458a_200016282684_100000188475 [0,2,0,0,0,0|0,0,2]=4 11308 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,2,0,0,0,0|0,0,2]=4 11309 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,2,0,0,0,0|0,0,2]=4 11310 B14R0.73 CCCCCCCC(=O)CC(=O)CCC 1458a_100000211969_100000747444 [0,2,0,0,0,0|1,0,0]=3 11311 B14R0.73 CCCCCCCC(=O)CC(=O)NCC 1458a_100000211969_100000183381 [0,2,0,0,0,0|1,0,0]=3 11312 B14R0.73 CCCCCCCC(=O)CC(=O)NCO 1458a_100000211969_100000185155 [0,2,0,0,0,0|2,0,0]=4 11313 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,2,0,0,0,0|0,0,0]=2 11314 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,2,0,0,0,0|0,0,0]=2 11315 B14R0.73 CCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210614 [0,2,0,0,0,0|2,0,0]=4 11316 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,2,0,0,0,0|1,0,0]=3 11317 B14R0.73 CCCCCCCC(O)CC(=O)CCF 1458a_200011667753_100011217306 [0,2,0,0,0,0|2,0,0]=4 11318 B14R0.73 CCCCCCCC(O)CC(=O)CCO 1458a_200011667753_100000211926 [0,2,0,0,0,0|2,0,0]=4 11319 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,2,0,0,0,0|1,0,0]=3 11320 B14R0.73 CCCCCCCC(O)CC(=O)NNC 22a_100016993582_200011667753 [0,2,0,0,0,0|2,0,0]=4 11321 B14R0.73 CCCCCCCN(C)CC(=O)CCC 2230a_100000228206_100000747444 [0,2,0,0,0,0|1,0,0]=3 11322 B14R0.73 CCCCCCCN(C)CC(=O)CCC 269982a_100000228206_100000747444 [0,2,0,0,0,0|1,0,0]=3 11323 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000228206_100000183381 [0,2,0,0,0,0|1,0,0]=3 11324 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210681 [0,2,0,0,0,0|1,0,0]=3 11325 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000228206_100000183381 [0,2,0,0,0,0|1,0,0]=3 11326 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210681 [0,2,0,0,0,0|1,0,0]=3 11327 B14R0.73 CCCCCCCN(C)CC(=O)NCO 2230a_100000228206_100000185155 [0,2,0,0,0,0|2,0,0]=4 11328 B14R0.73 CCCCCCCN(C)CC(=O)NCO 269982a_100000228206_100000185155 [0,2,0,0,0,0|2,0,0]=4 11329 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,2,0,0,0,0|0,0,0]=2 11330 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,2,0,0,0,0|0,0,0]=2 11331 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,2,0,0,0,0|0,0,0]=2 11332 B14R0.73 CCCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230325 [0,2,0,0,0,0|1,0,1]=4 11333 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,2,0,0,0,0|0,0,1]=3 11334 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,2,0,0,0,0|0,0,0]=2 11335 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,2,0,0,0,0|0,0,0]=2 11336 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,2,0,0,0,0|0,0,0]=2 11337 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,2,0,0,0,0|0,0,0]=2 11338 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,2,0,0,0,0|0,0,0]=2 11339 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,2,0,0,0,0|1,0,0]=3 11340 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,2,0,0,0,0|1,0,0]=3 11341 B14R0.73 CCCCCNCC(=CC(=O)OCC)C 2230a_100000209983_100135422193 [0,2,0,0,0,0|0,0,2]=4 11342 B14R0.73 CCCCCNNC(=O)CC(=O)OCC 22a_100000694160_100000243816 [0,2,0,0,0,0|1,0,1]=4 11343 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 34a_100000210253_100135422193 [0,2,0,0,0,0|0,0,2]=4 11344 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 7a_100000210253_100135422193 [0,2,0,0,0,0|0,0,2]=4 11345 B14R0.73 CCCCCOCC(=O)NC(=O)OCC 7a_100000210253_100000010344 [0,2,0,0,0,0|1,0,1]=4 11346 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,2,0,0,0,0|0,0,0]=2 11347 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,2,0,0,0,0|0,0,0]=2 11348 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100000210326_100135422193 [0,2,0,0,0,0|0,0,2]=4 11349 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210326 [0,2,0,0,0,0|0,0,2]=4 11350 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,2,0,0,0,0|0,0,1]=3 11351 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,2,0,0,0,0|0,0,1]=3 11352 B14R0.73 CCCCCSCC(=O)NC(=O)OCC 62a_100000210326_100000010344 [0,2,0,0,0,0|1,0,1]=4 11353 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,2,0,0,0,0|0,0,0]=2 11354 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,2,0,0,0,0|0,0,0]=2 11355 B14R0.73 CCCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100000743108 [0,2,0,0,0,0|0,0,1]=3 11356 B14R0.73 CCCCOCCN(C)CC(=O)NCC 2230a_100000741943_100000743108 [0,2,0,0,0,0|2,0,0]=4 11357 B14R0.73 CCCCOCCN(C)CC(=O)NCC 269982a_100000741943_100000743108 [0,2,0,0,0,0|2,0,0]=4 11358 B14R0.73 CCCCOCCN(C)CC(=O)OCC 2230a_100000220588_100000743108 [0,2,0,0,0,0|1,0,0]=3 11359 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100009817359_100011995733 [0,2,0,0,0,0|1,0,0]=3 11360 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100011995733_100009817359 [0,2,0,0,0,0|1,0,0]=3 11361 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100000036008_100011995733 [0,2,0,0,0,0|2,0,0]=4 11362 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100011995733_100000036008 [0,2,0,0,0,0|2,0,0]=4 11363 B14R0.73 CCCOCCNC(=O)CC(=O)OCC 240690a_100161115042_100000243816 [0,2,0,0,0,0|1,0,1]=4 11364 B14R0.73 CCCOCCNC(C)CC(=O)OCC 2230a_100161115042_100009817359 [0,2,0,0,0,0|1,0,0]=3 11365 B14R0.73 CCCOCCOC(C)CC(=O)OCC 7a_100000752267_100009817359 [0,2,0,0,0,0|1,0,0]=3 11366 B14R0.73 CCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215938 [0,2,0,0,0,0|1,0,0]=3 11367 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215938 [0,2,0,0,0,0|1,0,0]=3 11368 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100011215938_100009817359 [0,2,0,0,0,0|1,0,0]=3 11369 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215938 [0,2,0,0,0,0|2,0,0]=4 11370 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100011215938_100000036008 [0,2,0,0,0,0|2,0,0]=4 11371 B14R0.73 CCCSCCNC(=O)CC(=O)OCC 240690a_100020603323_100000243816 [0,2,0,0,0,0|1,0,1]=4 11372 B14R0.73 CCCSCCNC(C)CC(=O)OCC 2230a_100020603323_100009817359 [0,2,0,0,0,0|1,0,0]=3 11373 B14R0.73 CCCSCCOC(C)CC(=O)OCC 7a_200000230433_100009817359 [0,2,0,0,0,0|1,0,0]=3 11374 B14R0.73 CCNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183381 [0,2,0,0,0,0|1,0,1]=4 11375 B14R0.73 CCNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183381 [0,2,0,0,0,0|1,0,1]=4 11376 B14R0.73 CCNC(=O)CN(C)CCCCCCF 2230a_100000741943_100015922095 [0,2,0,0,0,0|2,0,0]=4 11377 B14R0.73 CCNC(=O)CN(C)CCCCCCF 269982a_100000741943_100015922095 [0,2,0,0,0,0|2,0,0]=4 11378 B14R0.73 CCNC(=O)CN(C)CCCCCCO 2230a_100000741943_100000766143 [0,2,0,0,0,0|2,0,0]=4 11379 B14R0.73 CCNC(=O)CN(C)CCCCCCO 269982a_100000741943_100000766143 [0,2,0,0,0,0|2,0,0]=4 11380 B14R0.73 CCOC(=O)CC(=O)CCCCCC#N 1458a_100000243816_100009813376 [0,2,0,0,0,0|0,0,2]=4 11381 B14R0.73 CCOC(=O)CC(=O)CCCCCCF 1458a_100000243816_100015922095 [0,2,0,0,0,0|0,0,1]=3 11382 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100000243816_100000766143 [0,2,0,0,0,0|0,0,1]=3 11383 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000188475 [0,2,0,0,0,0|0,0,1]=3 11384 B14R0.73 CCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000188475 [0,2,0,0,0,0|0,0,1]=3 11385 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000243816_100000695917 [0,2,0,0,0,0|1,0,1]=4 11386 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000188475 [0,2,0,0,0,0|1,0,1]=4 11387 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000210311_100000729493 [0,2,0,0,0,0|1,0,1]=4 11388 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210311 [0,2,0,0,0,0|1,0,1]=4 11389 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210311_100000210776 [0,2,0,0,0,0|1,0,1]=4 11390 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210311 [0,2,0,0,0,0|1,0,1]=4 11391 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000210311_100000709357 [0,2,0,0,0,0|1,0,1]=4 11392 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000709357_100000210311 [0,2,0,0,0,0|1,0,1]=4 11393 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000210311_100000757381 [0,2,0,0,0,0|1,0,1]=4 11394 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000757381_100000210311 [0,2,0,0,0,0|1,0,1]=4 11395 B14R0.73 CCOC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000243816 [0,2,0,0,0,0|1,0,1]=4 11396 B14R0.73 CCOC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817359 [0,2,0,0,0,0|1,0,0]=3 11397 B14R0.73 CCOC(=O)CC(C)NCCOCCO 2230a_100000211614_100009817359 [0,2,0,0,0,0|2,0,0]=4 11398 B14R0.73 CCOC(=O)CC(C)NCCSCCO 2230a_100011219999_100009817359 [0,2,0,0,0,0|2,0,0]=4 11399 B14R0.73 CCOC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817359 [0,2,0,0,0,0|1,0,0]=3 11400 B14R0.73 CCOC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817359 [0,2,0,0,0,0|1,0,0]=3 11401 B14R0.73 CCOC(=O)CC(C)OCCCCCI 7a_200012148887_100009817359 [0,2,0,0,0,0|1,0,0]=3 11402 B14R0.73 CCOC(=O)CC(C)OCCCCSC 7a_100011217163_100009817359 [0,2,0,0,0,0|1,0,0]=3 11403 B14R0.73 CCOC(=O)CC(C)OCCCSCC 7a_100011216438_100009817359 [0,2,0,0,0,0|1,0,0]=3 11404 B14R0.73 CCOC(=O)CC(C)OCCOCCBr 7a_100000692535_100009817359 [0,2,0,0,0,0|2,0,0]=4 11405 B14R0.73 CCOC(=O)CC(C)OCCOCCCl 7a_100011215305_100009817359 [0,2,0,0,0,0|2,0,0]=4 11406 B14R0.73 CCOC(=O)CC(C)OCCOCCF 7a_200015357709_100009817359 [0,2,0,0,0,0|2,0,0]=4 11407 B14R0.73 CCOC(=O)CC(C)OCCOCCI 7a_100012149058_100009817359 [0,2,0,0,0,0|2,0,0]=4 11408 B14R0.73 CCOC(=O)CC(C)SCCCCC#N 62a_100009817359_100000211819 [0,2,0,0,0,0|1,0,1]=4 11409 B14R0.73 CCOC(=O)CC(C)SCCCCC#N 62a_100011219923_100009817359 [0,2,0,0,0,0|1,0,1]=4 11410 B14R0.73 CCOC(=O)CC(C)SCCCCC=O 62a_100000139335_100009817359 [0,2,0,0,0,0|1,0,1]=4 11411 B14R0.73 CCOC(=O)CC(C)SCCCCC=O 62a_100009817359_100000139335 [0,2,0,0,0,0|1,0,1]=4 11412 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100000729378_100009817359 [0,2,0,0,0,0|1,0,0]=3 11413 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100009817359_100000729378 [0,2,0,0,0,0|1,0,0]=3 11414 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100000746330_100009817359 [0,2,0,0,0,0|1,0,0]=3 11415 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100009817359_100000746330 [0,2,0,0,0,0|1,0,0]=3 11416 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100000730899_100009817359 [0,2,0,0,0,0|1,0,0]=3 11417 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100009817359_100000730899 [0,2,0,0,0,0|1,0,0]=3 11418 B14R0.73 CCOC(=O)CC(C)SCCOCCO 62a_100009817359_100011215305 [0,2,0,0,0,0|2,0,0]=4 11419 B14R0.73 CCOC(=O)CC(C)SCCOCCO 62a_100011215305_100009817359 [0,2,0,0,0,0|2,0,0]=4 11420 B14R0.73 CCOC(=O)CC(C)SCOCCOC 62a_100000231047_100009817359 [0,2,0,0,0,0|2,0,0]=4 11421 B14R0.73 CCOC(=O)CC(C)SCOCCOC 62a_100009817359_100000231047 [0,2,0,0,0,0|2,0,0]=4 11422 B14R0.73 CCOC(=O)CN(C)CCCCCC#N 2230a_100000220588_100009813376 [0,2,0,0,0,0|1,0,1]=4 11423 B14R0.73 CCOC(=O)CN(C)CCCCCC=O 2230a_100000220588_100000139337 [0,2,0,0,0,0|1,0,1]=4 11424 B14R0.73 CCOC(=O)CN(C)CCCCCCF 2230a_100000220588_100015922095 [0,2,0,0,0,0|1,0,0]=3 11425 B14R0.73 CCOC(=O)CN(C)CCCCCCO 2230a_100000220588_100000766143 [0,2,0,0,0,0|1,0,0]=3 11426 B14R0.73 CCOC(=O)CN(C)CCOCCOC 2230a_100000220588_100000695917 [0,2,0,0,0,0|2,0,0]=4 11427 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC#N 7a_100009816390_100000211819 [0,2,0,0,0,0|1,0,1]=4 11428 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC=O 7a_100009816390_100000139335 [0,2,0,0,0,0|1,0,1]=4 11429 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCF 7a_100009816390_100000729378 [0,2,0,0,0,0|1,0,0]=3 11430 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCO 7a_100009816390_100000746330 [0,2,0,0,0,0|1,0,0]=3 11431 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCOC 7a_100009816390_100000730899 [0,2,0,0,0,0|1,0,0]=3 11432 B14R0.73 CCOC(=O)C[C@@H](C)OCCOCCO 7a_100009816390_100011215305 [0,2,0,0,0,0|2,0,0]=4 11433 B14R0.73 CCOC(=O)C[C@H](O)CNCCCCO 34a_100000750430_100000688340 [0,2,0,0,0,0|1,0,0]=3 11434 B14R0.73 CCOC(=O)C[C@H](O)CNCCCOC 34a_100150723488_100000688340 [0,2,0,0,0,0|1,0,0]=3 11435 B14R0.73 CCOC(=O)C[C@H](O)COCCCCBr 34a_100011216708_100000688340 [0,2,0,0,0,0|1,0,0]=3 11436 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 34a_100000210776_100000688340 [0,2,0,0,0,0|1,0,0]=3 11437 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 7a_100000210776_100000688340 [0,2,0,0,0,0|1,0,0]=3 11438 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 34a_100011995726_100000688340 [0,2,0,0,0,0|1,0,0]=3 11439 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 7a_100011995726_100000688340 [0,2,0,0,0,0|1,0,0]=3 11440 B14R0.73 CCOC(=O)C[C@H](O)COCCCCI 34a_200012148704_100000688340 [0,2,0,0,0,0|1,0,0]=3 11441 B14R0.73 CCOC(=O)C[C@H](O)COCCCCN 34a_100000750430_100000688340 [0,2,0,0,0,0|1,0,0]=3 11442 B14R0.73 CCOC(=O)C[C@H](O)COCCCNC 34a_100000213112_100000688340 [0,2,0,0,0,0|1,0,0]=3 11443 B14R0.73 CCOC(=O)C[C@H](O)COCCCOC 34a_100000740835_100000688340 [0,2,0,0,0,0|1,0,0]=3 11444 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 34a_100000690336_100000688340 [0,2,0,0,0,0|1,0,0]=3 11445 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 7a_100000690336_100000688340 [0,2,0,0,0,0|1,0,0]=3 11446 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 34a_100000212035_100000688340 [0,2,0,0,0,0|1,0,0]=3 11447 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 7a_100000212035_100000688340 [0,2,0,0,0,0|1,0,0]=3 11448 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC#N 62a_100000687738_100000688340 [0,2,0,0,0,0|1,0,1]=4 11449 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC#N 62a_100000688340_100000687738 [0,2,0,0,0,0|1,0,1]=4 11450 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC=O 62a_100000688340_200011292268 [0,2,0,0,0,0|1,0,1]=4 11451 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC=O 62a_200011292268_100000688340 [0,2,0,0,0,0|1,0,1]=4 11452 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000688340_100000729493 [0,2,0,0,0,0|1,0,0]=3 11453 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000729493_100000688340 [0,2,0,0,0,0|1,0,0]=3 11454 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000210776_100000688340 [0,2,0,0,0,0|1,0,0]=3 11455 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000688340_100000210776 [0,2,0,0,0,0|1,0,0]=3 11456 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000688340_100000709357 [0,2,0,0,0,0|1,0,0]=3 11457 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000709357_100000688340 [0,2,0,0,0,0|1,0,0]=3 11458 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000688340_100000757381 [0,2,0,0,0,0|1,0,0]=3 11459 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000757381_100000688340 [0,2,0,0,0,0|1,0,0]=3 11460 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000036008_100000729378 [0,2,0,0,0,0|2,0,0]=4 11461 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000729378_100000036008 [0,2,0,0,0,0|2,0,0]=4 11462 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000036008_100000746330 [0,2,0,0,0,0|2,0,0]=4 11463 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000746330_100000036008 [0,2,0,0,0,0|2,0,0]=4 11464 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000036008_100000730899 [0,2,0,0,0,0|2,0,0]=4 11465 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000730899_100000036008 [0,2,0,0,0,0|2,0,0]=4 11466 B14R0.73 CCOCCCNC(=O)CC(=O)OCC 240690a_100000210961_100000243816 [0,2,0,0,0,0|1,0,1]=4 11467 B14R0.73 CCOCCCNC(C)CC(=O)OCC 2230a_100000210961_100009817359 [0,2,0,0,0,0|1,0,0]=3 11468 B14R0.73 CCOCCCOC(C)CC(=O)OCC 7a_100000757476_100009817359 [0,2,0,0,0,0|1,0,0]=3 11469 B14R0.73 CCOCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100012232248 [0,2,0,0,0,0|1,0,0]=3 11470 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100009817359_100012232248 [0,2,0,0,0,0|1,0,0]=3 11471 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100012232248_100009817359 [0,2,0,0,0,0|1,0,0]=3 11472 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100000036008_100012232248 [0,2,0,0,0,0|2,0,0]=4 11473 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100012232248_100000036008 [0,2,0,0,0,0|2,0,0]=4 11474 B14R0.73 CCOCCNC[C@@H](O)CC(=O)OCC 34a_102516460346_100000688340 [0,2,0,0,0,0|1,0,0]=3 11475 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210136_100000688340 [0,2,0,0,0,0|1,0,0]=3 11476 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210136_100000688340 [0,2,0,0,0,0|1,0,0]=3 11477 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210147_100000210311 [0,2,0,0,0,0|1,0,1]=4 11478 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215890 [0,2,0,0,0,0|1,0,1]=4 11479 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000210147_100000688340 [0,2,0,0,0,0|1,0,0]=3 11480 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215890 [0,2,0,0,0,0|1,0,0]=3 11481 B14R0.83 C#CCCCCCCC(=O)C(C)OCC 1458a_100000739345_100012276617 [0,2,0,0,0,0|0,0,2]=4 11482 B14R0.83 C#CCCCCCOC(C)C(=O)OCC 34a_100000766912_100011216346 [0,2,0,0,0,0|0,0,2]=4 11483 B14R0.83 C#CCCCCCOC(C)C(=O)OCC 7a_100000766912_100011216346 [0,2,0,0,0,0|0,0,2]=4 11484 B14R0.83 C#CCCCCCOC(F)C(=O)OCC 34a_100000766912_100000760018 [0,2,0,0,0,0|0,0,2]=4 11485 B14R0.83 C#CCCCCCOC(F)C(=O)OCC 7a_100000766912_100000040065 [0,2,0,0,0,0|0,0,2]=4 11486 B14R0.83 C#CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012094781 [0,2,0,0,0,0|0,0,2]=4 11487 B14R0.83 C#CCCCCCSC(C)C(=O)OCC 62a_100011216346_100012094781 [0,2,0,0,0,0|0,0,2]=4 11488 B14R0.83 C#CCCCCCSC(C)C(=O)OCC 62a_100012094781_100011216346 [0,2,0,0,0,0|0,0,2]=4 11489 B14R0.83 C#CCCCCCSC(F)C(=O)OCC 62a_100000760018_100012094781 [0,2,0,0,0,0|0,0,2]=4 11490 B14R0.83 C#CCCCCCSC(F)C(=O)OCC 62a_100012094781_100000760018 [0,2,0,0,0,0|0,0,2]=4 11491 B14R0.83 C#CCN(C)C(=O)CCCCCCCC 11a_100000225692_100000210188 [0,2,0,0,0,0|1,0,1]=4 11492 B14R0.83 C#CCN(C)C(=O)CCCCCCCC 1626a_100000225692_100000210188 [0,2,0,0,0,0|1,0,1]=4 11493 B14R0.83 C#CCN(C)C(=O)CCCCCCCC 527a_100000225692_100000210188 [0,2,0,0,0,0|1,0,1]=4 11494 B14R0.83 C=C(CNCCCCCO)C(=O)OCC 34a_100000762737_100000755967 [0,2,0,0,0,0|1,0,1]=4 11495 B14R0.83 C=C(CNCCCOCC)C(=O)OCC 34a_100000210961_100000755967 [0,2,0,0,0,0|1,0,1]=4 11496 B14R0.83 C=C(CNCCOCCC)C(=O)OCC 34a_100161115042_100000755967 [0,2,0,0,0,0|1,0,1]=4 11497 B14R0.83 C=C(COCCCCCBr)C(=O)OCC 34a_100000746331_100000755967 [0,2,0,0,0,0|1,0,1]=4 11498 B14R0.83 C=C(COCCCCCBr)C(=O)OCC 7a_100000746331_100000755967 [0,2,0,0,0,0|1,0,1]=4 11499 B14R0.83 C=C(COCCCCCC)C(=O)OCC 34a_100000210259_100000755967 [0,2,0,0,0,0|0,0,1]=3 11500 B14R0.83 C=C(COCCCCCC)C(=O)OCC 7a_100000210259_100000755967 [0,2,0,0,0,0|0,0,1]=3 11501 B14R0.83 C=C(COCCCCCCl)C(=O)OCC 34a_100000746330_100000755967 [0,2,0,0,0,0|1,0,1]=4 11502 B14R0.83 C=C(COCCCCCCl)C(=O)OCC 7a_100000746330_100000755967 [0,2,0,0,0,0|1,0,1]=4 11503 B14R0.83 C=C(COCCCCCI)C(=O)OCC 34a_200012148887_100000755967 [0,2,0,0,0,0|1,0,1]=4 11504 B14R0.83 C=C(COCCCCCI)C(=O)OCC 7a_200012148887_100000755967 [0,2,0,0,0,0|1,0,1]=4 11505 B14R0.83 C=C(COCCCCCN)C(=O)OCC 34a_100000762737_100000755967 [0,2,0,0,0,0|1,0,1]=4 11506 B14R0.83 C=C(COCCCCOC)C(=O)OCC 34a_100000740925_100000755967 [0,2,0,0,0,0|1,0,1]=4 11507 B14R0.83 C=C(COCCCCSC)C(=O)OCC 34a_100011217163_100000755967 [0,2,0,0,0,0|1,0,1]=4 11508 B14R0.83 C=C(COCCCCSC)C(=O)OCC 7a_100011217163_100000755967 [0,2,0,0,0,0|1,0,1]=4 11509 B14R0.83 C=C(COCCCOCC)C(=O)OCC 34a_100000757476_100000755967 [0,2,0,0,0,0|1,0,1]=4 11510 B14R0.83 C=C(COCCCOCC)C(=O)OCC 7a_100000757476_100000755967 [0,2,0,0,0,0|1,0,1]=4 11511 B14R0.83 C=C(COCCCSCC)C(=O)OCC 34a_100011216438_100000755967 [0,2,0,0,0,0|1,0,1]=4 11512 B14R0.83 C=C(COCCCSCC)C(=O)OCC 7a_100011216438_100000755967 [0,2,0,0,0,0|1,0,1]=4 11513 B14R0.83 C=C(COCCOCCC)C(=O)OCC 34a_100000752267_100000755967 [0,2,0,0,0,0|1,0,1]=4 11514 B14R0.83 C=C(COCCOCCC)C(=O)OCC 7a_100000752267_100000755967 [0,2,0,0,0,0|1,0,1]=4 11515 B14R0.83 C=C(COCCSCCC)C(=O)OCC 34a_200000230433_100000755967 [0,2,0,0,0,0|1,0,1]=4 11516 B14R0.83 C=C(COCCSCCC)C(=O)OCC 7a_200000230433_100000755967 [0,2,0,0,0,0|1,0,1]=4 11517 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000210314_100000755967 [0,2,0,0,0,0|0,0,1]=3 11518 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000755967_100000210757 [0,2,0,0,0,0|0,0,1]=3 11519 B14R0.83 C=C(CSCCCCCF)C(=O)OCC 62a_100000729378_100000755967 [0,2,0,0,0,0|1,0,1]=4 11520 B14R0.83 C=C(CSCCCCCF)C(=O)OCC 62a_100000755967_100000729378 [0,2,0,0,0,0|1,0,1]=4 11521 B14R0.83 C=C(CSCCCCCO)C(=O)OCC 62a_100000746330_100000755967 [0,2,0,0,0,0|1,0,1]=4 11522 B14R0.83 C=C(CSCCCCCO)C(=O)OCC 62a_100000755967_100000746330 [0,2,0,0,0,0|1,0,1]=4 11523 B14R0.83 C=C(CSCCCCOC)C(=O)OCC 62a_100000730899_100000755967 [0,2,0,0,0,0|1,0,1]=4 11524 B14R0.83 C=C(CSCCCCOC)C(=O)OCC 62a_100000755967_100000730899 [0,2,0,0,0,0|1,0,1]=4 11525 B14R0.83 C=C(CSCCCOCC)C(=O)OCC 62a_100000755967_100012232248 [0,2,0,0,0,0|1,0,1]=4 11526 B14R0.83 C=C(CSCCCOCC)C(=O)OCC 62a_100012232248_100000755967 [0,2,0,0,0,0|1,0,1]=4 11527 B14R0.83 C=C(CSCCOCCC)C(=O)OCC 62a_100000755967_100011215938 [0,2,0,0,0,0|1,0,1]=4 11528 B14R0.83 C=C(CSCCOCCC)C(=O)OCC 62a_100011215938_100000755967 [0,2,0,0,0,0|1,0,1]=4 11529 B14R0.83 C=C(CSCOCCCC)C(=O)OCC 62a_100000755967_100011995733 [0,2,0,0,0,0|1,0,1]=4 11530 B14R0.83 C=C(CSCOCCCC)C(=O)OCC 62a_100011995733_100000755967 [0,2,0,0,0,0|1,0,1]=4 11531 B14R0.83 C=CCC(C)C(=O)CCCCCCCC 1458a_100011216819_100000210759 [0,2,0,0,0,0|1,0,1]=4 11532 B14R0.83 C=CCCCCCCC(=O)C(C)OCC 1458a_100000739345_100011215473 [0,2,0,0,0,0|0,0,2]=4 11533 B14R0.83 C=CCCCCCOC(C)C(=O)OCC 34a_100011216702_100011216346 [0,2,0,0,0,0|0,0,2]=4 11534 B14R0.83 C=CCCCCCOC(C)C(=O)OCC 7a_100011216702_100011216346 [0,2,0,0,0,0|0,0,2]=4 11535 B14R0.83 C=CCCCCCOC(F)C(=O)OCC 34a_100011216702_100000760018 [0,2,0,0,0,0|0,0,2]=4 11536 B14R0.83 C=CCCCCCOC(F)C(=O)OCC 7a_100011216702_100000040065 [0,2,0,0,0,0|0,0,2]=4 11537 B14R0.83 C=CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000700193 [0,2,0,0,0,0|0,0,2]=4 11538 B14R0.83 C=CCCCCCSC(C)C(=O)OCC 62a_100000700193_100011216346 [0,2,0,0,0,0|0,0,2]=4 11539 B14R0.83 C=CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000700193 [0,2,0,0,0,0|0,0,2]=4 11540 B14R0.83 C=CCCCCCSC(F)C(=O)OCC 62a_100000700193_100000760018 [0,2,0,0,0,0|0,0,2]=4 11541 B14R0.83 C=CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000700193 [0,2,0,0,0,0|0,0,2]=4 11542 B14R0.83 C=CCN(C)C(=O)CCCCCCCC 11a_100000225617_100000210188 [0,2,0,0,0,0|1,0,1]=4 11543 B14R0.83 C=CCN(C)C(=O)CCCCCCCC 1626a_100000225617_100000210188 [0,2,0,0,0,0|1,0,1]=4 11544 B14R0.83 C=CCN(C)C(=O)CCCCCCCC 240690a_100000225617_100000210188 [0,2,0,0,0,0|1,0,1]=4 11545 B14R0.83 C=CCN(C)C(=O)CCCCCCCC 527a_100000225617_100000210188 [0,2,0,0,0,0|1,0,1]=4 11546 B14R0.83 CC(CCO)C(=O)CCCCCCCO 1458a_100011219782_100009893172 [0,2,0,0,0,0|2,0,0]=4 11547 B14R0.83 CC/C=C(\C)/C(=O)CCCCCCCC 1458a_100016988807_100000210759 [0,2,0,0,0,0|1,0,0]=3 11548 B14R0.83 CC/C=C(\C)/C(=O)CCCCCCCO 1458a_100016988807_100000760002 [0,2,0,0,0,0|2,0,0]=4 11549 B14R0.83 CC/C=C(\C)/C(=O)CCCCCCOC 1458a_100016988807_100011998445 [0,2,0,0,0,0|2,0,0]=4 11550 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 11a_100000229938_100016988807 [0,2,0,0,0,0|2,0,0]=4 11551 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 1626a_100000229938_100016988807 [0,2,0,0,0,0|2,0,0]=4 11552 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 240690a_100000229938_100016988807 [0,2,0,0,0,0|2,0,0]=4 11553 B14R0.83 CC/C=C(\C)/C(=O)NCCCCCCC 527a_100000229938_100016988807 [0,2,0,0,0,0|2,0,0]=4 11554 B14R0.83 CC/C=C/CCCOC(C)C(=O)OCC 34a_100016287902_100011216346 [0,2,0,0,0,0|0,0,2]=4 11555 B14R0.83 CC/C=C/CCCOC(C)C(=O)OCC 7a_100016287902_100011216346 [0,2,0,0,0,0|0,0,2]=4 11556 B14R0.83 CC/C=C/CCCOC(F)C(=O)OCC 34a_100016287902_100000760018 [0,2,0,0,0,0|0,0,2]=4 11557 B14R0.83 CC/C=C/CCCOC(F)C(=O)OCC 7a_100016287902_100000040065 [0,2,0,0,0,0|0,0,2]=4 11558 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 11a_100000207567_100000210699 [0,2,0,0,0,0|1,0,1]=4 11559 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000210699 [0,2,0,0,0,0|1,0,1]=4 11560 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 240690a_100000207567_100000210699 [0,2,0,0,0,0|1,0,1]=4 11561 B14R0.83 CCCC#CCCOC(C)C(=O)OCC 34a_100000042726_100011216346 [0,2,0,0,0,0|0,0,2]=4 11562 B14R0.83 CCCC#CCCOC(C)C(=O)OCC 7a_100000042726_100011216346 [0,2,0,0,0,0|0,0,2]=4 11563 B14R0.83 CCCC#CCCOC(F)C(=O)OCC 34a_100000042726_100000760018 [0,2,0,0,0,0|0,0,2]=4 11564 B14R0.83 CCCC#CCCOC(F)C(=O)OCC 7a_100000042726_100000040065 [0,2,0,0,0,0|0,0,2]=4 11565 B14R0.83 CCCC(C)C(=O)CCCCCCCO 1458a_100000210906_100000760002 [0,2,0,0,0,0|2,0,0]=4 11566 B14R0.83 CCCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000766640 [0,2,0,0,0,0|2,0,0]=4 11567 B14R0.83 CCCC(C)C(=O)CCCCCCOC 1458a_100000210906_100011998445 [0,2,0,0,0,0|2,0,0]=4 11568 B14R0.83 CCCC/C=C/COC(C)C(=O)OCC 34a_200016272032_100011216346 [0,2,0,0,0,0|0,0,2]=4 11569 B14R0.83 CCCC/C=C/COC(C)C(=O)OCC 7a_200016272032_100011216346 [0,2,0,0,0,0|0,0,2]=4 11570 B14R0.83 CCCC/C=C/COC(F)C(=O)OCC 34a_200016272032_100000760018 [0,2,0,0,0,0|0,0,2]=4 11571 B14R0.83 CCCC/C=C/COC(F)C(=O)OCC 7a_200016272032_100000040065 [0,2,0,0,0,0|0,0,2]=4 11572 B14R0.83 CCCCC#CCOC(C)C(=O)OCC 34a_200000034558_100011216346 [0,2,0,0,0,0|0,0,2]=4 11573 B14R0.83 CCCCC#CCOC(C)C(=O)OCC 7a_200000034558_100011216346 [0,2,0,0,0,0|0,0,2]=4 11574 B14R0.83 CCCCC#CCOC(F)C(=O)OCC 34a_200000034558_100000760018 [0,2,0,0,0,0|0,0,2]=4 11575 B14R0.83 CCCCC#CCOC(F)C(=O)OCC 7a_200000034558_100000040065 [0,2,0,0,0,0|0,0,2]=4 11576 B14R0.83 CCCCCC#CCC(=O)C(C)OCC 1458a_100000739345_100009816472 [0,2,0,0,0,0|0,0,2]=4 11577 B14R0.83 CCCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210759 [0,2,0,0,0,0|2,0,0]=4 11578 B14R0.83 CCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210759 [0,2,0,0,0,0|1,0,0]=3 11579 B14R0.83 CCCCCCCCC(=O)C(C)CC#N 1458a_100000210188_100009813641 [0,2,0,0,0,0|1,0,1]=4 11580 B14R0.83 CCCCCCCCC(=O)C(C)CCC 1458a_100000210188_100000766640 [0,2,0,0,0,0|1,0,0]=3 11581 B14R0.83 CCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210759 [0,2,0,0,0,0|1,0,0]=3 11582 B14R0.83 CCCCCCCCC(=O)C(C)CCO 1458a_100000210188_100009893172 [0,2,0,0,0,0|1,0,0]=3 11583 B14R0.83 CCCCCCCCC(=O)C(C)COC 1458a_100000210188_100000765312 [0,2,0,0,0,0|1,0,0]=3 11584 B14R0.83 CCCCCCCCC(=O)C(C)COC 1458a_100000751857_100000210759 [0,2,0,0,0,0|1,0,0]=3 11585 B14R0.83 CCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210759 [0,2,0,0,0,0|1,0,0]=3 11586 B14R0.83 CCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210759 [0,2,0,0,0,0|0,0,0]=2 11587 B14R0.83 CCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210759 [0,2,0,0,0,0|0,1,0]=3 11588 B14R0.83 CCCCCCCCC(=O)N(C)CC#N 11a_100000748184_100000210188 [0,2,0,0,0,0|1,0,1]=4 11589 B14R0.83 CCCCCCCCC(=O)N(C)CC#N 1626a_100000748184_100000210188 [0,2,0,0,0,0|1,0,1]=4 11590 B14R0.83 CCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210188 [0,2,0,0,0,0|1,0,0]=3 11591 B14R0.83 CCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210188 [0,2,0,0,0,0|1,0,0]=3 11592 B14R0.83 CCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210188 [0,2,0,0,0,0|1,0,0]=3 11593 B14R0.83 CCCCCCCCC(=O)N(C)CCC 527a_100000747261_100000210188 [0,2,0,0,0,0|1,0,0]=3 11594 B14R0.83 CCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000210188 [0,2,0,0,0,0|1,0,0]=3 11595 B14R0.83 CCCCCCCCC(=O)N(C)CCO 527a_100000210263_100000210188 [0,2,0,0,0,0|1,0,0]=3 11596 B14R0.83 CCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210759 [0,2,0,0,0,0|1,0,0]=3 11597 B14R0.83 CCCCCCCCC(O)C(=O)CCC 1458a_200011995895_100000210303 [0,2,0,0,0,0|1,0,0]=3 11598 B14R0.83 CCCCCCCCC(O)C(=O)CCF 1458a_200011995895_100011217306 [0,2,0,0,0,0|2,0,0]=4 11599 B14R0.83 CCCCCCCCC(O)C(=O)CCO 1458a_200011995895_100000211926 [0,2,0,0,0,0|2,0,0]=4 11600 B14R0.83 CCCCCCCCC(O)C(=O)NCC 240690a_100015525214_200011995895 [0,2,0,0,0,0|1,0,0]=3 11601 B14R0.83 CCCCCCCCC(O)C(=O)NNC 22a_100016993582_200011995895 [0,2,0,0,0,0|2,0,0]=4 11602 B14R0.83 CCCCCCCCN(C)C(=O)CCC 11a_100000207567_100000211992 [0,2,0,0,0,0|1,0,0]=3 11603 B14R0.83 CCCCCCCCN(C)C(=O)CCC 1626a_100000207567_100000211992 [0,2,0,0,0,0|1,0,0]=3 11604 B14R0.83 CCCCCCCCN(C)C(=O)CCC 240690a_100000207567_100000211992 [0,2,0,0,0,0|1,0,0]=3 11605 B14R0.83 CCCCCCCCN(C)C(=O)CCC 527a_100000207567_100000211992 [0,2,0,0,0,0|1,0,0]=3 11606 B14R0.83 CCCCCCCCN(C)C(=O)CCO 240690a_100000207567_100011216618 [0,2,0,0,0,0|2,0,0]=4 11607 B14R0.83 CCCCCCCCN(C)C(=O)COC 11a_100000207567_100000210968 [0,2,0,0,0,0|2,0,0]=4 11608 B14R0.83 CCCCCCCCN(C)C(=O)COC 1626a_100000207567_100000210968 [0,2,0,0,0,0|2,0,0]=4 11609 B14R0.83 CCCCCCCCN(C)C(=O)COC 240690a_100000207567_100000210968 [0,2,0,0,0,0|2,0,0]=4 11610 B14R0.83 CCCCCCCCN(C)C(=O)COC 527a_100000207567_100000210968 [0,2,0,0,0,0|2,0,0]=4 11611 B14R0.83 CCCCCCCCN(C)C(=O)CSC 11a_100000207567_100000184570 [0,2,0,0,0,0|2,0,0]=4 11612 B14R0.83 CCCCCCCCN(C)C(=O)CSC 1626a_100000207567_100000184570 [0,2,0,0,0,0|2,0,0]=4 11613 B14R0.83 CCCCCCCCN(C)C(=O)CSC 240690a_100000207567_100000184570 [0,2,0,0,0,0|2,0,0]=4 11614 B14R0.83 CCCCCCCCN(C)C(=O)CSC 527a_100000207567_100000184570 [0,2,0,0,0,0|2,0,0]=4 11615 B14R0.83 CCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000207567 [0,2,0,0,0,0|1,0,0]=3 11616 B14R0.83 CCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000207567 [0,2,0,0,0,0|1,0,0]=3 11617 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 1626a_100000229938_200011297158 [0,2,0,0,0,0|1,0,1]=4 11618 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 240690a_100000229938_200011297158 [0,2,0,0,0,0|1,0,1]=4 11619 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 527a_100000229938_200011297158 [0,2,0,0,0,0|1,0,1]=4 11620 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 11a_100000229938_100014798877 [0,2,0,0,0,0|0,0,1]=3 11621 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 1626a_100000229938_100014798877 [0,2,0,0,0,0|0,0,1]=3 11622 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 240690a_100000229938_100014798877 [0,2,0,0,0,0|0,0,1]=3 11623 B14R0.83 CCCCCCCNC(=O)C(C)CCC 11a_100000229938_100000210906 [0,2,0,0,0,0|2,0,0]=4 11624 B14R0.83 CCCCCCCNC(=O)C(C)CCC 1626a_100000229938_100000210906 [0,2,0,0,0,0|2,0,0]=4 11625 B14R0.83 CCCCCCCNC(=O)C(C)CCC 240690a_100000229938_100000210906 [0,2,0,0,0,0|2,0,0]=4 11626 B14R0.83 CCCCCCCNC(=O)C(C)CCC 527a_100000229938_100000210906 [0,2,0,0,0,0|2,0,0]=4 11627 B14R0.83 CCCCCCCNC(=O)C(C)COC 11a_100000229938_100000751857 [0,2,0,0,0,0|2,0,0]=4 11628 B14R0.83 CCCCCCCNC(=O)C(C)COC 1626a_100000229938_100000751857 [0,2,0,0,0,0|2,0,0]=4 11629 B14R0.83 CCCCCCCNC(=O)C(C)COC 240690a_100000229938_100000751857 [0,2,0,0,0,0|2,0,0]=4 11630 B14R0.83 CCCCCCCNC(=O)C(C)COC 527a_100000229938_100000751857 [0,2,0,0,0,0|2,0,0]=4 11631 B14R0.83 CCCCCCCNC(=O)C(C)CSC 11a_100000229938_100000753918 [0,2,0,0,0,0|2,0,0]=4 11632 B14R0.83 CCCCCCCNC(=O)C(C)CSC 1626a_100000229938_100000753918 [0,2,0,0,0,0|2,0,0]=4 11633 B14R0.83 CCCCCCCNC(=O)C(C)CSC 240690a_100000229938_100000753918 [0,2,0,0,0,0|2,0,0]=4 11634 B14R0.83 CCCCCCCNC(=O)C(C)CSC 527a_100000229938_100000753918 [0,2,0,0,0,0|2,0,0]=4 11635 B14R0.83 CCCCCCCNC(=O)C(C)OCC 11a_100000229938_100000739345 [0,2,0,0,0,0|1,0,0]=3 11636 B14R0.83 CCCCCCCNC(=O)C(C)OCC 1626a_100000229938_100000739345 [0,2,0,0,0,0|1,0,0]=3 11637 B14R0.83 CCCCCCCNC(=O)C(C)OCC 240690a_100000229938_100000739345 [0,2,0,0,0,0|1,0,0]=3 11638 B14R0.83 CCCCCCCNC(=O)C(C)OCC 527a_100000229938_100000739345 [0,2,0,0,0,0|1,0,0]=3 11639 B14R0.83 CCCCCCCNC(=O)C(C)SCC 11a_100000229938_100000230601 [0,2,0,0,0,0|1,1,0]=4 11640 B14R0.83 CCCCCCCNC(=O)C(C)SCC 1626a_100000229938_100000230601 [0,2,0,0,0,0|1,1,0]=4 11641 B14R0.83 CCCCCCCNC(=O)C(C)SCC 240690a_100000229938_100000230601 [0,2,0,0,0,0|1,1,0]=4 11642 B14R0.83 CCCCCCCNC(=O)C(C)SCC 527a_100000229938_100000230601 [0,2,0,0,0,0|1,1,0]=4 11643 B14R0.83 CCCCCCCNC(=O)N(C)CCC 2708a_100000229938_100000747261 [0,2,0,0,0,0|2,0,0]=4 11644 B14R0.83 CCCCCCCNC(=O)N(C)CCC 273464a_100000229938_100000747261 [0,2,0,0,0,0|2,0,0]=4 11645 B14R0.83 CCCCCCCNC(=O)N(C)CCO 2708a_100000229938_100000210263 [0,2,0,0,0,0|2,0,0]=4 11646 B14R0.83 CCCCCCCNC(=O)N(C)CCO 273464a_100000229938_100000210263 [0,2,0,0,0,0|2,0,0]=4 11647 B14R0.83 CCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000229938_100009822183 [0,2,0,0,0,0|2,0,0]=4 11648 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000229938_100000230173 [0,2,0,0,0,0|1,0,0]=3 11649 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210681 [0,2,0,0,0,0|1,0,0]=3 11650 B14R0.83 CCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210614 [0,2,0,0,0,0|1,0,0]=3 11651 B14R0.83 CCCCCCCNC(C)C(=O)OCC 2230a_100000229938_100011215307 [0,2,0,0,0,0|0,0,0]=2 11652 B14R0.83 CCCCCCCNC(F)C(=O)OCC 2230a_100000229938_100000760018 [0,2,0,0,0,0|0,0,0]=2 11653 B14R0.83 CCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210681 [0,2,0,0,0,0|0,1,0]=3 11654 B14R0.83 CCCCCCCOC(C)C(=O)NCC 34a_100000210272_100000230173 [0,2,0,0,0,0|1,0,0]=3 11655 B14R0.83 CCCCCCCOC(C)C(=O)NCC 7a_100000210272_100000230173 [0,2,0,0,0,0|1,0,0]=3 11656 B14R0.83 CCCCCCCOC(C)C(=O)OCC 34a_100000210272_100011216346 [0,2,0,0,0,0|0,0,0]=2 11657 B14R0.83 CCCCCCCOC(C)C(=O)OCC 7a_100000210272_100011216346 [0,2,0,0,0,0|0,0,0]=2 11658 B14R0.83 CCCCCCCOC(F)C(=O)OCC 34a_100000210272_100000760018 [0,2,0,0,0,0|0,0,0]=2 11659 B14R0.83 CCCCCCCOC(F)C(=O)OCC 7a_100000210272_100000040065 [0,2,0,0,0,0|0,0,0]=2 11660 B14R0.83 CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210614 [0,2,0,0,0,0|0,0,0]=2 11661 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000210614_100000230173 [0,2,0,0,0,0|1,0,0]=3 11662 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210316 [0,2,0,0,0,0|1,0,0]=3 11663 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100000210614_100011216346 [0,2,0,0,0,0|0,0,0]=2 11664 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210316 [0,2,0,0,0,0|0,0,0]=2 11665 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000210614_100000760018 [0,2,0,0,0,0|0,0,0]=2 11666 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210316 [0,2,0,0,0,0|0,0,0]=2 11667 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000210314_100000211299 [0,2,0,0,0,0|0,0,1]=3 11668 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210757 [0,2,0,0,0,0|0,0,1]=3 11669 B14R0.83 CCCCOCCNC(C)C(=O)NCC 2230a_100000736553_100000743108 [0,2,0,0,0,0|2,0,0]=4 11670 B14R0.83 CCCCOCCNC(C)C(=O)NCC 34a_100000736553_100000743108 [0,2,0,0,0,0|2,0,0]=4 11671 B14R0.83 CCCCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000743108 [0,2,0,0,0,0|1,1,0]=4 11672 B14R0.83 CCCCOCCOC(C)C(=O)NCC 34a_100000210238_100000230173 [0,2,0,0,0,0|2,0,0]=4 11673 B14R0.83 CCCCOCCOC(C)C(=O)NCC 7a_100000210238_100000230173 [0,2,0,0,0,0|2,0,0]=4 11674 B14R0.83 CCCCOCCOC(C)C(=O)OCC 34a_100000210238_100011216346 [0,2,0,0,0,0|1,0,0]=3 11675 B14R0.83 CCCCOCCOC(C)C(=O)OCC 7a_100000210238_100011216346 [0,2,0,0,0,0|1,0,0]=3 11676 B14R0.83 CCCCOCCOC(F)C(=O)OCC 34a_100000210238_100000760018 [0,2,0,0,0,0|1,0,0]=3 11677 B14R0.83 CCCCOCCOC(F)C(=O)OCC 7a_100000210238_100000040065 [0,2,0,0,0,0|1,0,0]=3 11678 B14R0.83 CCCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000743108 [0,2,0,0,0,0|1,0,0]=3 11679 B14R0.83 CCCCOCCSC(C)C(=O)NCC 62a_100000230173_100000743108 [0,2,0,0,0,0|2,0,0]=4 11680 B14R0.83 CCCCOCCSC(C)C(=O)NCC 62a_100000743108_100000230173 [0,2,0,0,0,0|2,0,0]=4 11681 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100000743108_100011216346 [0,2,0,0,0,0|1,0,0]=3 11682 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100011216346_100000743108 [0,2,0,0,0,0|1,0,0]=3 11683 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000743108_100000760018 [0,2,0,0,0,0|1,0,0]=3 11684 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000760018_100000743108 [0,2,0,0,0,0|1,0,0]=3 11685 B14R0.83 CCCCOCSCC(=O)C(=O)OCC 62a_100000211299_100011995733 [0,2,0,0,0,0|1,0,1]=4 11686 B14R0.83 CCCCOCSCC(=O)C(=O)OCC 62a_100011995733_100000211299 [0,2,0,0,0,0|1,0,1]=4 11687 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 11a_100025743550_100014798877 [0,2,0,0,0,0|1,0,1]=4 11688 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 1626a_100025743550_100014798877 [0,2,0,0,0,0|1,0,1]=4 11689 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 240690a_100025743550_100014798877 [0,2,0,0,0,0|1,0,1]=4 11690 B14R0.83 CCCCSCCNC(=O)C(C)OCC 11a_100025743550_100000739345 [0,2,0,0,0,0|2,0,0]=4 11691 B14R0.83 CCCCSCCNC(=O)C(C)OCC 1626a_100025743550_100000739345 [0,2,0,0,0,0|2,0,0]=4 11692 B14R0.83 CCCCSCCNC(=O)C(C)OCC 240690a_100025743550_100000739345 [0,2,0,0,0,0|2,0,0]=4 11693 B14R0.83 CCCCSCCNC(=O)C(C)OCC 527a_100025743550_100000739345 [0,2,0,0,0,0|2,0,0]=4 11694 B14R0.83 CCCCSCCNC(C)C(=O)NCC 2230a_100025743550_100000230173 [0,2,0,0,0,0|2,0,0]=4 11695 B14R0.83 CCCCSCCNC(C)C(=O)OCC 2230a_100025743550_100011215307 [0,2,0,0,0,0|1,0,0]=3 11696 B14R0.83 CCCCSCCNC(F)C(=O)OCC 2230a_100025743550_100000760018 [0,2,0,0,0,0|1,0,0]=3 11697 B14R0.83 CCCCSCCOC(C)C(=O)NCC 34a_200000230436_100000230173 [0,2,0,0,0,0|2,0,0]=4 11698 B14R0.83 CCCCSCCOC(C)C(=O)NCC 7a_200000230436_100000230173 [0,2,0,0,0,0|2,0,0]=4 11699 B14R0.83 CCCCSCCOC(C)C(=O)OCC 34a_200000230436_100011216346 [0,2,0,0,0,0|1,0,0]=3 11700 B14R0.83 CCCCSCCOC(C)C(=O)OCC 7a_200000230436_100011216346 [0,2,0,0,0,0|1,0,0]=3 11701 B14R0.83 CCCCSCCOC(F)C(=O)OCC 34a_200000230436_100000760018 [0,2,0,0,0,0|1,0,0]=3 11702 B14R0.83 CCCCSCCOC(F)C(=O)OCC 7a_200000230436_100000040065 [0,2,0,0,0,0|1,0,0]=3 11703 B14R0.83 CCCN(C)C(=O)CCCCCCCO 240690a_100000747261_100011219782 [0,2,0,0,0,0|2,0,0]=4 11704 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 1626a_100011217757_100014798877 [0,2,0,0,0,0|1,0,1]=4 11705 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 240690a_100011217757_100014798877 [0,2,0,0,0,0|1,0,1]=4 11706 B14R0.83 CCCOCCCNC(=O)C(C)OCC 1626a_100011217757_100000739345 [0,2,0,0,0,0|2,0,0]=4 11707 B14R0.83 CCCOCCCNC(=O)C(C)OCC 240690a_100011217757_100000739345 [0,2,0,0,0,0|2,0,0]=4 11708 B14R0.83 CCCOCCCNC(=O)C(C)OCC 527a_100011217757_100000739345 [0,2,0,0,0,0|2,0,0]=4 11709 B14R0.83 CCCOCCCNC(C)C(=O)NCC 2230a_100011217757_100000230173 [0,2,0,0,0,0|2,0,0]=4 11710 B14R0.83 CCCOCCCNC(C)C(=O)NCC 34a_100011217757_100000230173 [0,2,0,0,0,0|2,0,0]=4 11711 B14R0.83 CCCOCCCNC(C)C(=O)OCC 2230a_100011217757_100011215307 [0,2,0,0,0,0|1,0,0]=3 11712 B14R0.83 CCCOCCCNC(C)C(=O)OCC 34a_100011217757_100011216346 [0,2,0,0,0,0|1,0,0]=3 11713 B14R0.83 CCCOCCCNC(F)C(=O)OCC 2230a_100011217757_100000760018 [0,2,0,0,0,0|1,0,0]=3 11714 B14R0.83 CCCOCCCNC(F)C(=O)OCC 34a_100011217757_100000760018 [0,2,0,0,0,0|1,0,0]=3 11715 B14R0.83 CCCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215938 [0,2,0,0,0,0|1,0,1]=4 11716 B14R0.83 CCCOCCSCC(=O)C(=O)OCC 62a_100011215938_100000211299 [0,2,0,0,0,0|1,0,1]=4 11717 B14R0.83 CCC[C@H](O)C(=O)CCCCCCCO 1458a_100009822183_100000760002 [0,2,0,0,0,0|2,0,0]=4 11718 B14R0.83 CCC[C@H](O)C(=O)CCCCCCOC 1458a_100009822183_100011998445 [0,2,0,0,0,0|2,0,0]=4 11719 B14R0.83 CCNC(=O)C(=O)CCCCCCCO 1458a_200011297158_100000760002 [0,2,0,0,0,0|1,0,1]=4 11720 B14R0.83 CCNC(=O)C(=O)CCCCCCOC 1458a_200011297158_100011998445 [0,2,0,0,0,0|1,0,1]=4 11721 B14R0.83 CCNC(=O)C(C)NCCCCCCF 2230a_100000736553_100015922095 [0,2,0,0,0,0|2,0,0]=4 11722 B14R0.83 CCNC(=O)C(C)NCCCCCCF 34a_100000736553_100015922095 [0,2,0,0,0,0|2,0,0]=4 11723 B14R0.83 CCNC(=O)C(C)NCCCCCCO 2230a_100000686447_100000230173 [0,2,0,0,0,0|2,0,0]=4 11724 B14R0.83 CCNC(=O)C(C)NCCCCCCO 2230a_100000736553_100000766143 [0,2,0,0,0,0|2,0,0]=4 11725 B14R0.83 CCNC(=O)C(C)NCCCCCCO 34a_100000686447_100000230173 [0,2,0,0,0,0|2,0,0]=4 11726 B14R0.83 CCNC(=O)C(C)NCCCCCCO 34a_100000736553_100000766143 [0,2,0,0,0,0|2,0,0]=4 11727 B14R0.83 CCNC(=O)C(C)NCCCCCOC 2230a_100000747528_100000230173 [0,2,0,0,0,0|2,0,0]=4 11728 B14R0.83 CCNC(=O)C(C)NCCCCCOC 34a_100000747528_100000230173 [0,2,0,0,0,0|2,0,0]=4 11729 B14R0.83 CCNC(=O)C(C)OCCCCCCBr 34a_100011215345_100000230173 [0,2,0,0,0,0|2,0,0]=4 11730 B14R0.83 CCNC(=O)C(C)OCCCCCCBr 7a_100011215345_100000230173 [0,2,0,0,0,0|2,0,0]=4 11731 B14R0.83 CCNC(=O)C(C)OCCCCCCCl 34a_100000766143_100000230173 [0,2,0,0,0,0|2,0,0]=4 11732 B14R0.83 CCNC(=O)C(C)OCCCCCCCl 7a_100000766143_100000230173 [0,2,0,0,0,0|2,0,0]=4 11733 B14R0.83 CCNC(=O)C(C)OCCCCCCF 34a_100000732779_100000230173 [0,2,0,0,0,0|2,0,0]=4 11734 B14R0.83 CCNC(=O)C(C)OCCCCCCF 7a_100000732779_100000230173 [0,2,0,0,0,0|2,0,0]=4 11735 B14R0.83 CCNC(=O)C(C)OCCCCCCN 34a_100000686447_100000230173 [0,2,0,0,0,0|2,0,0]=4 11736 B14R0.83 CCNC(=O)C(C)OCCCCCNC 34a_100000722520_100000230173 [0,2,0,0,0,0|2,0,0]=4 11737 B14R0.83 CCNC(=O)C(C)SCCCCCCF 62a_100000230173_100015922095 [0,2,0,0,0,0|2,0,0]=4 11738 B14R0.83 CCNC(=O)C(C)SCCCCCCF 62a_100015922095_100000230173 [0,2,0,0,0,0|2,0,0]=4 11739 B14R0.83 CCNC(=O)C(C)SCCCCCCO 62a_100000230173_100000766143 [0,2,0,0,0,0|2,0,0]=4 11740 B14R0.83 CCNC(=O)C(C)SCCCCCCO 62a_100000766143_100000230173 [0,2,0,0,0,0|2,0,0]=4 11741 B14R0.83 CCNCCCCCC(=O)C(=O)OCC 2230a_100015525214_100000068741 [0,2,0,0,0,0|0,0,1]=3 11742 B14R0.83 CCOC(=O)C(=O)CCCCCSCC 62a_100000210202_100000068741 [0,2,0,0,0,0|0,0,1]=3 11743 B14R0.83 CCOC(=O)C(=O)CCCCCSCF 62a_100015361967_100000068741 [0,2,0,0,0,0|1,0,1]=4 11744 B14R0.83 CCOC(=O)C(=O)CSCCCCCF 62a_100000211299_100000729378 [0,2,0,0,0,0|1,0,1]=4 11745 B14R0.83 CCOC(=O)C(=O)CSCCCCCF 62a_100000729378_100000211299 [0,2,0,0,0,0|1,0,1]=4 11746 B14R0.83 CCOC(=O)C(=O)CSCCCCCO 62a_100000211299_100000746330 [0,2,0,0,0,0|1,0,1]=4 11747 B14R0.83 CCOC(=O)C(=O)CSCCCCCO 62a_100000746330_100000211299 [0,2,0,0,0,0|1,0,1]=4 11748 B14R0.83 CCOC(=O)C(=O)CSCCCCOC 62a_100000211299_100000730899 [0,2,0,0,0,0|1,0,1]=4 11749 B14R0.83 CCOC(=O)C(=O)CSCCCCOC 62a_100000730899_100000211299 [0,2,0,0,0,0|1,0,1]=4 11750 B14R0.83 CCOC(=O)C(=O)NCCCCCCO 240690a_100000686447_100014798877 [0,2,0,0,0,0|1,0,1]=4 11751 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 11a_100000747528_100014798877 [0,2,0,0,0,0|1,0,1]=4 11752 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 1626a_100000747528_100014798877 [0,2,0,0,0,0|1,0,1]=4 11753 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 240690a_100000747528_100014798877 [0,2,0,0,0,0|1,0,1]=4 11754 B14R0.83 CCOC(=O)C(C)NCCCCCCO 2230a_100000686447_100011215307 [0,2,0,0,0,0|1,0,0]=3 11755 B14R0.83 CCOC(=O)C(C)NCCCCCCO 34a_100000686447_100011216346 [0,2,0,0,0,0|1,0,0]=3 11756 B14R0.83 CCOC(=O)C(C)NCCCCCOC 2230a_100000747528_100011215307 [0,2,0,0,0,0|1,0,0]=3 11757 B14R0.83 CCOC(=O)C(C)NCCCCCOC 34a_100000747528_100011216346 [0,2,0,0,0,0|1,0,0]=3 11758 B14R0.83 CCOC(=O)C(C)NCCOCCOC 2230a_100000745349_100011215307 [0,2,0,0,0,0|2,0,0]=4 11759 B14R0.83 CCOC(=O)C(C)NCCOCCOC 34a_100000745349_100011216346 [0,2,0,0,0,0|2,0,0]=4 11760 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 34a_100011215345_100011216346 [0,2,0,0,0,0|1,0,0]=3 11761 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 7a_100011215345_100011216346 [0,2,0,0,0,0|1,0,0]=3 11762 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 34a_100000766143_100011216346 [0,2,0,0,0,0|1,0,0]=3 11763 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 7a_100000766143_100011216346 [0,2,0,0,0,0|1,0,0]=3 11764 B14R0.83 CCOC(=O)C(C)OCCCCCCF 34a_100000732779_100011216346 [0,2,0,0,0,0|1,0,0]=3 11765 B14R0.83 CCOC(=O)C(C)OCCCCCCF 7a_100000732779_100011216346 [0,2,0,0,0,0|1,0,0]=3 11766 B14R0.83 CCOC(=O)C(C)OCCCCCCN 34a_100000686447_100011216346 [0,2,0,0,0,0|1,0,0]=3 11767 B14R0.83 CCOC(=O)C(C)OCCCCCNC 34a_100000722520_100011216346 [0,2,0,0,0,0|1,0,0]=3 11768 B14R0.83 CCOC(=O)C(C)OCCOCCNC 34a_100000228057_100011216346 [0,2,0,0,0,0|2,0,0]=4 11769 B14R0.83 CCOC(=O)C(C)OCCOCCOC 34a_100011215163_100011216346 [0,2,0,0,0,0|2,0,0]=4 11770 B14R0.83 CCOC(=O)C(C)OCCOCCOC 7a_100011215163_100011216346 [0,2,0,0,0,0|2,0,0]=4 11771 B14R0.83 CCOC(=O)C(C)SCCCCCC#N 62a_100009813376_100011216346 [0,2,0,0,0,0|1,0,1]=4 11772 B14R0.83 CCOC(=O)C(C)SCCCCCC#N 62a_100011216346_100009813376 [0,2,0,0,0,0|1,0,1]=4 11773 B14R0.83 CCOC(=O)C(C)SCCCCCC=O 62a_100000139337_100011216346 [0,2,0,0,0,0|1,0,1]=4 11774 B14R0.83 CCOC(=O)C(C)SCCCCCC=O 62a_100011216346_100000139337 [0,2,0,0,0,0|1,0,1]=4 11775 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100011216346_100015922095 [0,2,0,0,0,0|1,0,0]=3 11776 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100015922095_100011216346 [0,2,0,0,0,0|1,0,0]=3 11777 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100000766143_100011216346 [0,2,0,0,0,0|1,0,0]=3 11778 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100011216346_100000766143 [0,2,0,0,0,0|1,0,0]=3 11779 B14R0.83 CCOC(=O)C(C)SCCOCCOC 62a_100000695917_100011216346 [0,2,0,0,0,0|2,0,0]=4 11780 B14R0.83 CCOC(=O)C(C)SCCOCCOC 62a_100011216346_100000695917 [0,2,0,0,0,0|2,0,0]=4 11781 B14R0.83 CCOC(=O)C(F)NCCCCCCO 2230a_100000686447_100000760018 [0,2,0,0,0,0|1,0,0]=3 11782 B14R0.83 CCOC(=O)C(F)NCCCCCCO 34a_100000686447_100000760018 [0,2,0,0,0,0|1,0,0]=3 11783 B14R0.83 CCOC(=O)C(F)NCCCCCOC 2230a_100000747528_100000760018 [0,2,0,0,0,0|1,0,0]=3 11784 B14R0.83 CCOC(=O)C(F)NCCCCCOC 34a_100000747528_100000760018 [0,2,0,0,0,0|1,0,0]=3 11785 B14R0.83 CCOC(=O)C(F)NCCOCCOC 2230a_100000745349_100000760018 [0,2,0,0,0,0|2,0,0]=4 11786 B14R0.83 CCOC(=O)C(F)NCCOCCOC 34a_100000745349_100000760018 [0,2,0,0,0,0|2,0,0]=4 11787 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 34a_100011215345_100000760018 [0,2,0,0,0,0|1,0,0]=3 11788 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 7a_100011215345_100000040065 [0,2,0,0,0,0|1,0,0]=3 11789 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 34a_100000766143_100000760018 [0,2,0,0,0,0|1,0,0]=3 11790 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 7a_100000766143_100000040065 [0,2,0,0,0,0|1,0,0]=3 11791 B14R0.83 CCOC(=O)C(F)OCCCCCCF 34a_100000732779_100000760018 [0,2,0,0,0,0|1,0,0]=3 11792 B14R0.83 CCOC(=O)C(F)OCCCCCCF 7a_100000732779_100000040065 [0,2,0,0,0,0|1,0,0]=3 11793 B14R0.83 CCOC(=O)C(F)OCCCCCCN 34a_100000686447_100000760018 [0,2,0,0,0,0|1,0,0]=3 11794 B14R0.83 CCOC(=O)C(F)OCCCCCNC 34a_100000722520_100000760018 [0,2,0,0,0,0|1,0,0]=3 11795 B14R0.83 CCOC(=O)C(F)OCCOCCNC 34a_100000228057_100000760018 [0,2,0,0,0,0|2,0,0]=4 11796 B14R0.83 CCOC(=O)C(F)OCCOCCOC 34a_100011215163_100000760018 [0,2,0,0,0,0|2,0,0]=4 11797 B14R0.83 CCOC(=O)C(F)OCCOCCOC 7a_100011215163_100000040065 [0,2,0,0,0,0|2,0,0]=4 11798 B14R0.83 CCOC(=O)C(F)SCCCCCC#N 62a_100000760018_100009813376 [0,2,0,0,0,0|1,0,1]=4 11799 B14R0.83 CCOC(=O)C(F)SCCCCCC#N 62a_100009813376_100000760018 [0,2,0,0,0,0|1,0,1]=4 11800 B14R0.83 CCOC(=O)C(F)SCCCCCC=O 62a_100000139337_100000760018 [0,2,0,0,0,0|1,0,1]=4 11801 B14R0.83 CCOC(=O)C(F)SCCCCCC=O 62a_100000760018_100000139337 [0,2,0,0,0,0|1,0,1]=4 11802 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100000760018_100015922095 [0,2,0,0,0,0|1,0,0]=3 11803 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100015922095_100000760018 [0,2,0,0,0,0|1,0,0]=3 11804 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000760018_100000766143 [0,2,0,0,0,0|1,0,0]=3 11805 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000766143_100000760018 [0,2,0,0,0,0|1,0,0]=3 11806 B14R0.83 CCOC(=O)C(F)SCCOCCOC 62a_100000695917_100000760018 [0,2,0,0,0,0|2,0,0]=4 11807 B14R0.83 CCOC(=O)C(F)SCCOCCOC 62a_100000760018_100000695917 [0,2,0,0,0,0|2,0,0]=4 11808 B14R0.83 CCOC(=O)[C@H](C)OCCCCCC#N 7a_100000751109_100009813376 [0,2,0,0,0,0|1,0,1]=4 11809 B14R0.83 CCOC(=O)[C@H](C)OCCCCCC=O 7a_100000751109_100000139337 [0,2,0,0,0,0|1,0,1]=4 11810 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCF 7a_100000751109_100015922095 [0,2,0,0,0,0|1,0,0]=3 11811 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCO 7a_100000751109_100000766143 [0,2,0,0,0,0|1,0,0]=3 11812 B14R0.83 CCOC(=O)[C@H](C)OCCOCCOC 7a_100000751109_100000695917 [0,2,0,0,0,0|2,0,0]=4 11813 B14R0.83 CCOC(C)C(=O)CCCCCCC#N 1458a_100000739345_100009813337 [0,2,0,0,0,0|1,0,1]=4 11814 B14R0.83 CCOC(C)C(=O)CCCCCCCO 1458a_100000739345_100000760002 [0,2,0,0,0,0|1,0,0]=3 11815 B14R0.83 CCOC(C)C(=O)CCCCCCOC 1458a_100000739345_100011998445 [0,2,0,0,0,0|1,0,0]=3 11816 B14R0.83 CCOC(C)C(=O)CCCOCCOC 1458a_100000739345_100011216529 [0,2,0,0,0,0|2,0,0]=4 11817 B14R0.83 CCOC(C)C(=O)NCCCCCCO 240690a_100000686447_100000739345 [0,2,0,0,0,0|2,0,0]=4 11818 B14R0.83 CCOC(C)C(=O)NCCCCCCO 527a_100000686447_100000739345 [0,2,0,0,0,0|2,0,0]=4 11819 B14R0.83 CCOC(C)C(=O)NCCCCCOC 11a_100000747528_100000739345 [0,2,0,0,0,0|2,0,0]=4 11820 B14R0.83 CCOC(C)C(=O)NCCCCCOC 1626a_100000747528_100000739345 [0,2,0,0,0,0|2,0,0]=4 11821 B14R0.83 CCOC(C)C(=O)NCCCCCOC 240690a_100000747528_100000739345 [0,2,0,0,0,0|2,0,0]=4 11822 B14R0.83 CCOC(C)C(=O)NCCCCCOC 527a_100000747528_100000739345 [0,2,0,0,0,0|2,0,0]=4 11823 B14R0.83 CCOCCCSCC(=O)C(=O)OCC 62a_100000211299_100012232248 [0,2,0,0,0,0|1,0,1]=4 11824 B14R0.83 CCOCCCSCC(=O)C(=O)OCC 62a_100012232248_100000211299 [0,2,0,0,0,0|1,0,1]=4 11825 B14R0.83 CCOCCOCCC(=O)C(C)OCC 1458a_100000739345_100011211534 [0,2,0,0,0,0|2,0,0]=4 11826 B14R0.83 CCSC(=O)[C@H](C)NCCCCCCF 2230a_100103168634_100015922095 [0,2,0,0,0,0|1,1,0]=4 11827 B14R0.83 CCSC(=O)[C@H](C)NCCCCCCO 2230a_100103168634_100000766143 [0,2,0,0,0,0|1,1,0]=4 11828 B14R0.83 CCSC(C)C(=O)CCCCCCCO 1458a_100000230601_100000760002 [0,2,0,0,0,0|1,1,0]=4 11829 B14R0.83 CCSC(C)C(=O)CCCCCCOC 1458a_100000230601_100011998445 [0,2,0,0,0,0|1,1,0]=4 11830 B14R0.83 CN(CCO)C(=O)CCCCCCCO 240690a_100000210263_100011219782 [0,2,0,0,0,0|2,0,0]=4 11831 B14R0.83 COCC(C)C(=O)CCCCCCCO 1458a_100000751857_100000760002 [0,2,0,0,0,0|2,0,0]=4 11832 B14R0.83 COCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000765312 [0,2,0,0,0,0|2,0,0]=4 11833 B14R0.83 COCCCCCCC(=O)C(C)COC 1458a_100000751857_100011998445 [0,2,0,0,0,0|2,0,0]=4 11834 B14R0.83 COCCCCCCC(=O)C(C)CSC 1458a_100000753918_100011998445 [0,2,0,0,0,0|2,0,0]=4 11835 B14R0.83 CSCC(C)C(=O)CCCCCCCO 1458a_100000753918_100000760002 [0,2,0,0,0,0|2,0,0]=4 11836 B14R0.90 CCCCCCCNCC(CC)OCC 2230a_100015183923_100000210681 [0,2,0,0,0,0|1,0,1]=4 11837 B14R0.90 CCCCCCCNCC(CC)OCC 34a_100015183923_100000210614 [0,2,0,0,0,0|1,0,1]=4 11838 B14R0.163 C#CCCC(=O)CCCCC(=O)OCC 1458a_100000692101_100000750268 [0,2,0,0,0,0|0,0,2]=4 11839 B14R0.163 C#CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000753159 [0,2,0,0,0,0|0,0,2]=4 11840 B14R0.163 C/C=C/CC(=O)CCCCC(=O)OCC 1458a_100011217402_100102629194 [0,2,0,0,0,0|0,0,2]=4 11841 B14R0.163 C=C(COCCC(C)CCC)OCOC 34a_100011217855_100000042856 [0,2,0,0,0,0|2,0,0]=4 11842 B14R0.163 C=C(COCC[C@@H](N)CCC)OCOC 34a_100015193777_100000042856 [0,2,0,0,0,0|2,0,0]=4 11843 B14R0.163 C=CCCC(=O)CCCCC(=O)OCC 1458a_100000749702_100000750268 [0,2,0,0,0,0|0,0,2]=4 11844 B14R0.163 C=CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000754431 [0,2,0,0,0,0|0,0,2]=4 11845 B14R0.163 C=CCCC(C)OCCCC(=O)OCC 34a_100000765329_100009991533 [0,2,0,0,0,0|0,0,2]=4 11846 B14R0.163 C=CCCC(C)OCCCC(=O)OCC 7a_100000765329_100011215271 [0,2,0,0,0,0|0,0,2]=4 11847 B14R0.163 C=CCCN(C)CCCCC(=O)OCC 2230a_100020639649_100000750268 [0,2,0,0,0,0|0,0,2]=4 11848 B14R0.163 C=CCCN(C)CCCCC(=O)OCC 269982a_100020639649_100000750268 [0,2,0,0,0,0|0,0,2]=4 11849 B14R0.163 C=CCOC(=O)COCCC(C)CCC 34a_100011217855_100000033060 [0,2,0,0,0,0|1,0,1]=4 11850 B14R0.163 C=CCOC(=O)COCCC(C)CCC 7a_100011217855_100000033060 [0,2,0,0,0,0|1,0,1]=4 11851 B14R0.163 C=CCOC(=O)COCC[C@@H](N)CCC 34a_100015193777_100000033060 [0,2,0,0,0,0|1,0,1]=4 11852 B14R0.163 CC#CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000748600 [0,2,0,0,0,0|0,0,2]=4 11853 B14R0.163 CC=CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000070051 [0,2,0,0,0,0|0,0,2]=4 11854 B14R0.163 CC=CCC(=O)CCCCC(=O)OCC 1458a_100121576822_100000750268 [0,2,0,0,0,0|0,0,2]=4 11855 B14R0.163 CCC#CC(=O)CCCCC(=O)OCC 1458a_100011827653_100000750268 [0,2,0,0,0,0|0,0,2]=4 11856 B14R0.163 CCC#CC(C)OCCCC(=O)OCC 34a_100000033903_100009991533 [0,2,0,0,0,0|0,0,2]=4 11857 B14R0.163 CCC#CC(C)OCCCC(=O)OCC 7a_100000033903_100011215271 [0,2,0,0,0,0|0,0,2]=4 11858 B14R0.163 CCC=CC(=O)CCCCC(=O)OCC 1458a_100000212282_100000750268 [0,2,0,0,0,0|0,0,2]=4 11859 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,2,0,0,0,0|0,0,0]=2 11860 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,2,0,0,0,0|0,0,0]=2 11861 B14R0.163 CCCCC(=O)CCOCC(=O)OCC 1458a_100000210183_100000088970 [0,2,0,0,0,0|0,0,1]=3 11862 B14R0.163 CCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000210183 [0,2,0,0,0,0|0,0,1]=3 11863 B14R0.163 CCCCC(C)COCCC(=O)NCC 7a_100011995851_100000737597 [0,2,0,0,0,0|1,0,0]=3 11864 B14R0.163 CCCCC(C)COCCC(=O)OCC 34a_100011995851_100000765890 [0,2,0,0,0,0|0,0,0]=2 11865 B14R0.163 CCCCC(C)COCCC(=O)OCC 7a_100011995851_100011206558 [0,2,0,0,0,0|0,0,0]=2 11866 B14R0.163 CCCCC(C)COCOC(=O)CCC 34a_100011995851_100000034017 [0,2,0,0,0,0|2,0,0]=4 11867 B14R0.163 CCCCC(C)NC/C=C/C(=O)OCC 2230a_100000126638_100016267167 [0,2,0,0,0,0|0,0,2]=4 11868 B14R0.163 CCCCC(C)NCCCC(=O)OCC 2230a_100000126638_100009991533 [0,2,0,0,0,0|0,0,0]=2 11869 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 34a_100000687866_100016267167 [0,2,0,0,0,0|0,0,2]=4 11870 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 7a_100000687866_100016267167 [0,2,0,0,0,0|0,0,2]=4 11871 B14R0.163 CCCCC(C)OCCCC(=O)OCC 34a_100000687866_100009991533 [0,2,0,0,0,0|0,0,0]=2 11872 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100000687866_100011215271 [0,2,0,0,0,0|0,0,0]=2 11873 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011215066 [0,2,0,0,0,0|0,0,0]=2 11874 B14R0.163 CCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011215066 [0,2,0,0,0,0|1,0,0]=3 11875 B14R0.163 CCCCC(C)OCCNC(=O)OCC 7a_100000687866_200011445536 [0,2,0,0,0,0|1,0,0]=3 11876 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_200011215066 [0,2,0,0,0,0|0,0,2]=4 11877 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_200011215066_100016267167 [0,2,0,0,0,0|0,0,2]=4 11878 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011215066 [0,2,0,0,0,0|0,0,0]=2 11879 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_200011215066_100009991533 [0,2,0,0,0,0|0,0,0]=2 11880 B14R0.163 CCCCC(C)SCCNC(=O)OCC 62a_200011215066_200011445536 [0,2,0,0,0,0|1,0,0]=3 11881 B14R0.163 CCCCN(C)CCCCC(=O)OCC 2230a_100000207549_100000750268 [0,2,0,0,0,0|0,0,0]=2 11882 B14R0.163 CCCCN(C)CCCCC(=O)OCC 269982a_100000207549_100000750268 [0,2,0,0,0,0|0,0,0]=2 11883 B14R0.163 CCCCN(C)CCOCC(=O)OCC 2230a_100000207549_100000088970 [0,2,0,0,0,0|1,0,0]=3 11884 B14R0.163 CCCCN(C)CCOCC(=O)OCC 269982a_100000207549_100000088970 [0,2,0,0,0,0|1,0,0]=3 11885 B14R0.163 CCCC[C@H](N)COCCC(=O)OCC 34a_100011934283_100000765890 [0,2,0,0,0,0|0,0,0]=2 11886 B14R0.163 CCCC[C@H](N)COCOC(=O)CCC 34a_100011934283_100000034017 [0,2,0,0,0,0|2,0,0]=4 11887 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 11a_100020643023_100011217402 [0,2,0,0,0,0|0,0,1]=3 11888 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 1626a_100020643023_100011217402 [0,2,0,0,0,0|0,0,1]=3 11889 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 240690a_100020643023_100011217402 [0,2,0,0,0,0|0,0,1]=3 11890 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 527a_100020643023_100011217402 [0,2,0,0,0,0|0,0,1]=3 11891 B14R0.163 CCCNC(=O)CCCNC(C)CCC 2230a_100000741246_100011194427 [0,2,0,0,0,0|2,0,0]=4 11892 B14R0.163 CCCNC(=O)CCCOC(C)CCC 7a_100000764384_100011194427 [0,2,0,0,0,0|2,0,0]=4 11893 B14R0.163 CCCNC(=O)CCCSC(C)CCC 62a_100000766640_100011194427 [0,2,0,0,0,0|2,0,0]=4 11894 B14R0.163 CCCNC(=O)CCCSC(C)CCC 62a_100011194427_100000766640 [0,2,0,0,0,0|2,0,0]=4 11895 B14R0.163 CCCNC(=O)CNCCC(=O)OCC 2230a_100000174927_100011206558 [0,2,0,0,0,0|1,0,1]=4 11896 B14R0.163 CCCNC(=O)COCCC(C)CCC 34a_100011217855_100000183358 [0,2,0,0,0,0|2,0,0]=4 11897 B14R0.163 CCCNC(=O)COCCC(C)CCC 7a_100011217855_100000183358 [0,2,0,0,0,0|2,0,0]=4 11898 B14R0.163 CCCNC(=O)COCC[C@@H](N)CCC 34a_100015193777_100000183358 [0,2,0,0,0,0|2,0,0]=4 11899 B14R0.163 CCCNC(=O)CSCCC(=O)OCC 62a_100000183358_100000765890 [0,2,0,0,0,0|1,0,1]=4 11900 B14R0.163 CCCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000183358 [0,2,0,0,0,0|1,0,1]=4 11901 B14R0.163 CCCOC(=O)COCCC(C)CCC 34a_100011217855_200011215008 [0,2,0,0,0,0|1,0,0]=3 11902 B14R0.163 CCCOC(=O)COCCC(C)CCC 7a_100011217855_200011215008 [0,2,0,0,0,0|1,0,0]=3 11903 B14R0.163 CCCOC(=O)COCC[C@@H](N)CCC 34a_100015193777_200011215008 [0,2,0,0,0,0|1,0,0]=3 11904 B14R0.163 CCCOC(=O)CSCCC(=O)OCC 62a_100000765890_200011215008 [0,2,0,0,0,0|1,0,1]=4 11905 B14R0.163 CCCOC(=O)CSCCC(=O)OCC 62a_200011215008_100000765890 [0,2,0,0,0,0|1,0,1]=4 11906 B14R0.163 CCCOC(=O)OCOCC(C)CCC 34a_100000688023_200000139673 [0,2,0,0,0,0|2,0,0]=4 11907 B14R0.163 CCCOC(=O)OCOCC(C)CCC 7a_100000688023_200000139673 [0,2,0,0,0,0|2,0,0]=4 11908 B14R0.163 CCCOC(=O)OCOC[C@@H](N)CCC 34a_100000732646_200000139673 [0,2,0,0,0,0|2,0,0]=4 11909 B14R0.163 CCCOC(=O)OCSCC(C)CCC 62a_100011216630_200000139673 [0,2,0,0,0,0|2,0,0]=4 11910 B14R0.163 CCCOC(C)CNCCC(=O)NCC 2230a_100015185124_100000737597 [0,2,0,0,0,0|2,0,0]=4 11911 B14R0.163 CCCOC(C)CNCCC(=O)OCC 2230a_100015185124_100011206558 [0,2,0,0,0,0|1,0,0]=3 11912 B14R0.163 CCCOC(C)CNCCC(=O)OCC 34a_100015185124_100000765890 [0,2,0,0,0,0|1,0,0]=3 11913 B14R0.163 CCNC(=O)CCNCC(O)COCC 2230a_102515437182_100000737597 [0,2,0,0,0,0|2,0,0]=4 11914 B14R0.163 CCNC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000737597 [0,2,0,0,0,0|2,0,0]=4 11915 B14R0.163 CCNCC(=O)NCCCC(=O)OCC 2230a_100015525214_100000183181 [0,2,0,0,0,0|1,0,1]=4 11916 B14R0.163 CCNNC(=O)CCCCC(=O)OCC 22a_100000756455_100011217402 [0,2,0,0,0,0|1,0,1]=4 11917 B14R0.163 CCOC(=O)CCCCC(=O)CCC#N 1458a_100011217402_100011215226 [0,2,0,0,0,0|0,0,2]=4 11918 B14R0.163 CCOC(=O)CCCCC(=O)CCC#N 1458a_100011934036_100000750268 [0,2,0,0,0,0|0,0,2]=4 11919 B14R0.163 CCOC(=O)CCCCC(=O)CCCF 1458a_100011217402_100011934791 [0,2,0,0,0,0|0,0,1]=3 11920 B14R0.163 CCOC(=O)CCCCC(=O)CCCO 1458a_100011217402_100011215043 [0,2,0,0,0,0|0,0,1]=3 11921 B14R0.163 CCOC(=O)CCCCC(=O)CCOC 1458a_100000749529_100000750268 [0,2,0,0,0,0|0,0,1]=3 11922 B14R0.163 CCOC(=O)CCCCC(=O)CCOC 1458a_100011217402_100000233755 [0,2,0,0,0,0|0,0,1]=3 11923 B14R0.163 CCOC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000750268 [0,2,0,0,0,0|0,0,1]=3 11924 B14R0.163 CCOC(=O)CCCCC(=O)CCSC 1458a_100011217402_100000751147 [0,2,0,0,0,0|0,0,1]=3 11925 B14R0.163 CCOC(=O)CCCCC(=O)CSCC 1458a_100000230394_100000750268 [0,2,0,0,0,0|0,0,1]=3 11926 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 11a_100000724931_100011217402 [0,2,0,0,0,0|1,0,1]=4 11927 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 1626a_100000724931_100011217402 [0,2,0,0,0,0|1,0,1]=4 11928 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 240690a_100000724931_100011217402 [0,2,0,0,0,0|1,0,1]=4 11929 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 527a_100000724931_100011217402 [0,2,0,0,0,0|1,0,1]=4 11930 B14R0.163 CCOC(=O)CCCCC(=O)NCCO 240690a_100000210304_100011217402 [0,2,0,0,0,0|1,0,1]=4 11931 B14R0.163 CCOC(=O)CCCCC(=O)NCCO 527a_100000210304_100011217402 [0,2,0,0,0,0|1,0,1]=4 11932 B14R0.163 CCOC(=O)CCCCN(C)CCC#N 2230a_100000184479_100000750268 [0,2,0,0,0,0|1,0,1]=4 11933 B14R0.163 CCOC(=O)CCCCN(C)CCCO 2230a_100000213112_100000750268 [0,2,0,0,0,0|1,0,0]=3 11934 B14R0.163 CCOC(=O)CCCCN(C)CCCO 269982a_100000213112_100000750268 [0,2,0,0,0,0|1,0,0]=3 11935 B14R0.163 CCOC(=O)CCCCN(C)CCOC 2230a_100000743101_100000750268 [0,2,0,0,0,0|1,0,0]=3 11936 B14R0.163 CCOC(=O)CCCCN(C)CCOC 269982a_100000743101_100000750268 [0,2,0,0,0,0|1,0,0]=3 11937 B14R0.163 CCOC(=O)CCCCN(C)CCSC 2230a_100000686725_100000750268 [0,2,0,0,0,0|1,0,0]=3 11938 B14R0.163 CCOC(=O)CCCCN(C)CCSC 269982a_100000686725_100000750268 [0,2,0,0,0,0|1,0,0]=3 11939 B14R0.163 CCOC(=O)CCCNC(=O)CCOC 188690a_100000211256_100000749529 [0,2,0,0,0,0|1,0,1]=4 11940 B14R0.163 CCOC(=O)CCCNC(=O)CCSC 188690a_100000211256_100000174002 [0,2,0,0,0,0|1,0,1]=4 11941 B14R0.163 CCOC(=O)CCCNC(=O)CSCC 188690a_100000211256_100000230394 [0,2,0,0,0,0|1,0,1]=4 11942 B14R0.163 CCOC(=O)CCCNC(=O)CSCC 62a_100000183181_100000210202 [0,2,0,0,0,0|1,0,1]=4 11943 B14R0.163 CCOC(=O)CCCNC(=O)CSCC 62a_100000210202_100000183181 [0,2,0,0,0,0|1,0,1]=4 11944 B14R0.163 CCOC(=O)CCCOC(C)CCCCl 34a_200000718107_100009991533 [0,2,0,0,0,0|1,0,0]=3 11945 B14R0.163 CCOC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215271 [0,2,0,0,0,0|1,0,0]=3 11946 B14R0.163 CCOC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100011206558 [0,2,0,0,0,0|1,0,0]=3 11947 B14R0.163 CCOC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000765890 [0,2,0,0,0,0|1,0,0]=3 11948 B14R0.163 CCOC(=O)CCOC[C@@H](C)OCOC 34a_100016172286_100000765890 [0,2,0,0,0,0|2,0,0]=4 11949 B14R0.163 CCOC(=O)CCOC[C@@H](C)OCOC 7a_100016172286_100011206558 [0,2,0,0,0,0|2,0,0]=4 11950 B14R0.163 CCOC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000765890 [0,2,0,0,0,0|1,0,0]=3 11951 B14R0.163 CCOC(=O)COCCC(=O)CCOC 1458a_100000749529_100000088970 [0,2,0,0,0,0|1,0,1]=4 11952 B14R0.163 CCOC(=O)COCCC(=O)CCSC 1458a_100000174002_100000088970 [0,2,0,0,0,0|1,0,1]=4 11953 B14R0.163 CCOC(=O)COCCC(=O)CSCC 1458a_100000230394_100000088970 [0,2,0,0,0,0|1,0,1]=4 11954 B14R0.163 CCOC(=O)COCCN(C)CCCO 2230a_100000213112_100000088970 [0,2,0,0,0,0|2,0,0]=4 11955 B14R0.163 CCOC(=O)COCCN(C)CCCO 269982a_100000213112_100000088970 [0,2,0,0,0,0|2,0,0]=4 11956 B14R0.163 CCOC(=O)COCCN(C)CCOC 2230a_100000743101_100000088970 [0,2,0,0,0,0|2,0,0]=4 11957 B14R0.163 CCOC(=O)COCCN(C)CCOC 269982a_100000743101_100000088970 [0,2,0,0,0,0|2,0,0]=4 11958 B14R0.163 CCOC(=O)COCCN(C)CCSC 2230a_100000686725_100000088970 [0,2,0,0,0,0|2,0,0]=4 11959 B14R0.163 CCOC(=O)COCCN(C)CCSC 269982a_100000686725_100000088970 [0,2,0,0,0,0|2,0,0]=4 11960 B14R0.163 CCOC(=O)NCCOC(C)CCCCl 7a_200000718107_200011445536 [0,2,0,0,0,0|2,0,0]=4 11961 B14R0.163 CCOCC(=O)CCCCC(=O)OCC 1458a_100000211967_100000750268 [0,2,0,0,0,0|0,0,1]=3 11962 B14R0.163 CCOCC(=O)CCOCC(=O)OCC 1458a_100000211967_100000088970 [0,2,0,0,0,0|1,0,1]=4 11963 B14R0.163 CCOCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211967 [0,2,0,0,0,0|1,0,1]=4 11964 B14R0.163 CCOCC(=O)NCCCC(=O)OCC 34a_100121572206_100000183181 [0,2,0,0,0,0|1,0,1]=4 11965 B14R0.163 CCOCC(C)OCCCC(=O)OCC 34a_100000718985_100009991533 [0,2,0,0,0,0|1,0,0]=3 11966 B14R0.163 CCOCC(C)OCCCC(=O)OCC 7a_100000718985_100011215271 [0,2,0,0,0,0|1,0,0]=3 11967 B14R0.163 CCOCC(C)OCCNC(=O)OCC 7a_100000718985_200011445536 [0,2,0,0,0,0|2,0,0]=4 11968 B14R0.163 CCOCC(O)CNCCC(=O)OCC 2230a_102515437182_100011206558 [0,2,0,0,0,0|1,0,0]=3 11969 B14R0.163 CCOCC(O)CNCCC(=O)OCC 34a_102515437182_100000765890 [0,2,0,0,0,0|1,0,0]=3 11970 B14R0.181 C#CCCCCCCCC(=O)C(C)CC 1458a_100000087357_100000758301 [0,2,0,0,0,0|1,0,1]=4 11971 B14R0.181 C#CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100153394163 [0,2,0,0,0,0|1,0,1]=4 11972 B14R0.181 C#CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100153394163 [0,2,0,0,0,0|1,0,1]=4 11973 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000087357 [0,2,0,0,0,0|1,0,1]=4 11974 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000087357 [0,2,0,0,0,0|1,0,1]=4 11975 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000087357 [0,2,0,0,0,0|1,0,1]=4 11976 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000087357 [0,2,0,0,0,0|1,0,1]=4 11977 B14R0.181 C/C=C(\C)/C(=O)CCCCCCCCC 1458a_100020587367_100000210670 [0,2,0,0,0,0|1,0,1]=4 11978 B14R0.181 C/C=C(\C)/C(=O)CCCCCCCCO 1458a_100020587367_100000033203 [0,2,0,0,0,0|1,0,1]=4 11979 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC 11a_100000229939_100020587367 [0,2,0,0,0,0|1,0,1]=4 11980 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC 1626a_100000229939_100020587367 [0,2,0,0,0,0|1,0,1]=4 11981 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100012355270 [0,2,0,0,0,0|1,0,1]=4 11982 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011216160_100000758301 [0,2,0,0,0,0|1,0,1]=4 11983 B14R0.181 C=CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100012355270 [0,2,0,0,0,0|1,0,1]=4 11984 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 11a_100000225621_100011216160 [0,2,0,0,0,0|1,0,1]=4 11985 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100011216160 [0,2,0,0,0,0|1,0,1]=4 11986 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100011216160 [0,2,0,0,0,0|1,0,1]=4 11987 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 527a_100000225621_100011216160 [0,2,0,0,0,0|1,0,1]=4 11988 B14R0.181 CCC(C)C(=O)CCCCCCCCO 1458a_100011192722_100000033203 [0,2,0,0,0,0|1,0,0]=3 11989 B14R0.181 CCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100011192722 [0,2,0,0,0,0|2,0,0]=4 11990 B14R0.181 CCC(O)C(=O)CCCCCCCCO 1458a_100011196387_100000033203 [0,2,0,0,0,0|1,0,0]=3 11991 B14R0.181 CCC(O)C(=O)NCCCCCCCO 240690a_100011996573_100011196387 [0,2,0,0,0,0|2,0,0]=4 11992 B14R0.181 CCCCC#CCCCC(=O)C(C)CC 1458a_100011192722_200000047210 [0,2,0,0,0,0|1,0,1]=4 11993 B14R0.181 CCCCC#CCCCC(=O)C(O)CC 1458a_100011196387_200000047210 [0,2,0,0,0,0|1,0,1]=4 11994 B14R0.181 CCCCC/C=C/CCC(=O)C(C)CC 1458a_200015255902_100000758301 [0,2,0,0,0,0|1,0,1]=4 11995 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 11a_100000225621_200015255902 [0,2,0,0,0,0|1,0,1]=4 11996 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 1626a_100000225621_200015255902 [0,2,0,0,0,0|1,0,1]=4 11997 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 240690a_100000225621_200015255902 [0,2,0,0,0,0|1,0,1]=4 11998 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 527a_100000225621_200015255902 [0,2,0,0,0,0|1,0,1]=4 11999 B14R0.181 CCCCCC/C=C/CC(=O)C(C)CC 1458a_100020681715_100000758301 [0,2,0,0,0,0|1,0,1]=4 12000 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020681715 [0,2,0,0,0,0|1,0,1]=4 12001 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020681715 [0,2,0,0,0,0|1,0,1]=4 12002 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020681715 [0,2,0,0,0,0|1,0,1]=4 12003 B14R0.181 CCCCCCCC=CC(=O)C(C)CC 1458a_200015332781_100000758301 [0,2,0,0,0,0|1,0,1]=4 12004 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015332781 [0,2,0,0,0,0|1,0,1]=4 12005 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015332781 [0,2,0,0,0,0|1,0,1]=4 12006 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015332781 [0,2,0,0,0,0|1,0,1]=4 12007 B14R0.181 CCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210670 [0,2,0,0,0,0|2,0,0]=4 12008 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100000210558_100000758301 [0,2,0,0,0,0|1,0,0]=3 12009 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210670 [0,2,0,0,0,0|1,0,0]=3 12010 B14R0.181 CCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210670 [0,2,0,0,0,0|2,0,0]=4 12011 B14R0.181 CCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210670 [0,2,0,0,0,0|2,0,0]=4 12012 B14R0.181 CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210670 [0,2,0,0,0,0|1,0,0]=3 12013 B14R0.181 CCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210670 [0,2,0,0,0,0|2,0,0]=4 12014 B14R0.181 CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210558 [0,2,0,0,0,0|1,0,0]=3 12015 B14R0.181 CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210558 [0,2,0,0,0,0|1,0,0]=3 12016 B14R0.181 CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210558 [0,2,0,0,0,0|1,0,0]=3 12017 B14R0.181 CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210558 [0,2,0,0,0,0|1,0,0]=3 12018 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 1626a_100000229939_100011218921 [0,2,0,0,0,0|2,0,0]=4 12019 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 240690a_100000229939_100011218921 [0,2,0,0,0,0|2,0,0]=4 12020 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 527a_100000229939_100011218921 [0,2,0,0,0,0|2,0,0]=4 12021 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 11a_100000229939_100000024059 [0,2,0,0,0,0|2,0,0]=4 12022 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 1626a_100000229939_100000024059 [0,2,0,0,0,0|2,0,0]=4 12023 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 240690a_100000229939_100000024059 [0,2,0,0,0,0|2,0,0]=4 12024 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 527a_100000229939_100000024059 [0,2,0,0,0,0|2,0,0]=4 12025 B14R0.181 CCCCCCCCNC(=O)C(C)CC 11a_100000229939_100011192722 [0,2,0,0,0,0|1,0,0]=3 12026 B14R0.181 CCCCCCCCNC(=O)C(C)CC 1626a_100000229939_100011192722 [0,2,0,0,0,0|1,0,0]=3 12027 B14R0.181 CCCCCCCCNC(=O)C(C)CC 240690a_100000229939_100011192722 [0,2,0,0,0,0|1,0,0]=3 12028 B14R0.181 CCCCCCCCNC(=O)C(C)CC 527a_100000229939_100011192722 [0,2,0,0,0,0|1,0,0]=3 12029 B14R0.181 CCCCCCCCNC(=O)C(C)OC 11a_100000229939_100000743197 [0,2,0,0,0,0|2,0,0]=4 12030 B14R0.181 CCCCCCCCNC(=O)C(C)OC 1626a_100000229939_100000743197 [0,2,0,0,0,0|2,0,0]=4 12031 B14R0.181 CCCCCCCCNC(=O)C(C)OC 240690a_100000229939_100000743197 [0,2,0,0,0,0|2,0,0]=4 12032 B14R0.181 CCCCCCCCNC(=O)C(C)OC 527a_100000229939_100000743197 [0,2,0,0,0,0|2,0,0]=4 12033 B14R0.181 CCCCCCCCNC(=O)C(C)SC 11a_100000229939_100000149566 [0,2,0,0,0,0|2,0,0]=4 12034 B14R0.181 CCCCCCCCNC(=O)C(C)SC 1626a_100000229939_100000149566 [0,2,0,0,0,0|2,0,0]=4 12035 B14R0.181 CCCCCCCCNC(=O)C(C)SC 240690a_100000229939_100000149566 [0,2,0,0,0,0|2,0,0]=4 12036 B14R0.181 CCCCCCCCNC(=O)C(C)SC 527a_100000229939_100000149566 [0,2,0,0,0,0|2,0,0]=4 12037 B14R0.181 CCCCCCCCNC(=O)C(O)CC 240690a_100000229939_100011196387 [0,2,0,0,0,0|1,0,0]=3 12038 B14R0.181 CCCCCCCCNC(=O)C(O)CO 240690a_100000229939_100011215603 [0,2,0,0,0,0|2,0,0]=4 12039 B14R0.181 CCCCCCCCNC(=O)N(C)CC 2708a_100000229939_100000225621 [0,2,0,0,0,0|1,0,0]=3 12040 B14R0.181 CCCCCCCCNC(=O)N(C)CC 273464a_100000229939_100000225621 [0,2,0,0,0,0|1,0,0]=3 12041 B14R0.181 CCCCCCCNCC(=O)N(C)CC 2230a_100000229938_100000738999 [0,2,0,0,0,0|1,0,0]=3 12042 B14R0.181 CCCCCCCNCC(=O)N(C)OC 2230a_100000229938_100000764215 [0,2,0,0,0,0|2,0,0]=4 12043 B14R0.181 CCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210681 [0,2,0,0,0,0|2,0,0]=4 12044 B14R0.181 CCCCCCCOCC(=O)C(=O)OC 34a_100000210272_100011610305 [0,2,0,0,0,0|2,0,0]=4 12045 B14R0.181 CCCCCCCOCC(=O)N(C)CC 34a_100000210272_100000738999 [0,2,0,0,0,0|1,0,0]=3 12046 B14R0.181 CCCCCCCOCC(=O)N(C)CC 7a_100000210272_100000738999 [0,2,0,0,0,0|1,0,0]=3 12047 B14R0.181 CCCCCCCOCC(=O)N(C)OC 7a_100000210272_100000764215 [0,2,0,0,0,0|2,0,0]=4 12048 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100000210614_100011610305 [0,2,0,0,0,0|2,0,0]=4 12049 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210316 [0,2,0,0,0,0|2,0,0]=4 12050 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000210614_100000738999 [0,2,0,0,0,0|1,0,0]=3 12051 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210316 [0,2,0,0,0,0|1,0,0]=3 12052 B14R0.181 CCCCCCCSCC(=O)N(C)OC 62a_100000210614_100000764215 [0,2,0,0,0,0|2,0,0]=4 12053 B14R0.181 CCCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210316 [0,2,0,0,0,0|2,0,0]=4 12054 B14R0.181 CCCCCOCCCC(=O)N(C)OC 7a_100000210253_100011842776 [0,2,0,0,0,0|2,0,0]=4 12055 B14R0.181 CCCCCSCCCC(=O)N(C)OC 62a_100000210326_100011842776 [0,2,0,0,0,0|2,0,0]=4 12056 B14R0.181 CCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210326 [0,2,0,0,0,0|2,0,0]=4 12057 B14R0.181 CCCCOCCCNC(=O)C(C)CC 1626a_200000211371_100011192722 [0,2,0,0,0,0|2,0,0]=4 12058 B14R0.181 CCCCOCCCNC(=O)C(C)CC 240690a_200000211371_100011192722 [0,2,0,0,0,0|2,0,0]=4 12059 B14R0.181 CCCCOCCCNC(=O)C(C)CC 527a_200000211371_100011192722 [0,2,0,0,0,0|2,0,0]=4 12060 B14R0.181 CCCCOCCCNC(=O)C(O)CC 240690a_200000211371_100011196387 [0,2,0,0,0,0|2,0,0]=4 12061 B14R0.181 CCCCOCCCNC(=O)N(C)CC 2708a_200000211371_100000225621 [0,2,0,0,0,0|2,0,0]=4 12062 B14R0.181 CCCCOCCCNC(=O)N(C)CC 273464a_200000211371_100000225621 [0,2,0,0,0,0|2,0,0]=4 12063 B14R0.181 CCCCOCCOCC(=O)C(C)CC 1458a_100011216887_100000758301 [0,2,0,0,0,0|2,0,0]=4 12064 B14R0.181 CCCCOCCOCC(=O)N(C)CC 11a_100000225621_100011216887 [0,2,0,0,0,0|2,0,0]=4 12065 B14R0.181 CCCCOCCOCC(=O)N(C)CC 1626a_100000225621_100011216887 [0,2,0,0,0,0|2,0,0]=4 12066 B14R0.181 CCCCOCCOCC(=O)N(C)CC 240690a_100000225621_100011216887 [0,2,0,0,0,0|2,0,0]=4 12067 B14R0.181 CCCCOCCOCC(=O)N(C)CC 34a_100000210238_100000738999 [0,2,0,0,0,0|2,0,0]=4 12068 B14R0.181 CCCCOCCOCC(=O)N(C)CC 527a_100000225621_100011216887 [0,2,0,0,0,0|2,0,0]=4 12069 B14R0.181 CCCCOCCOCC(=O)N(C)CC 7a_100000210238_100000738999 [0,2,0,0,0,0|2,0,0]=4 12070 B14R0.181 CCCCOCCSCC(=O)N(C)CC 62a_100000738999_100000743108 [0,2,0,0,0,0|2,0,0]=4 12071 B14R0.181 CCCCOCCSCC(=O)N(C)CC 62a_100000743108_100000738999 [0,2,0,0,0,0|2,0,0]=4 12072 B14R0.181 CCCCSCCNCC(=O)N(C)CC 2230a_100025743550_100000738999 [0,2,0,0,0,0|2,0,0]=4 12073 B14R0.181 CCCCSCCOCC(=O)N(C)CC 34a_200000230436_100000738999 [0,2,0,0,0,0|2,0,0]=4 12074 B14R0.181 CCCCSCCOCC(=O)N(C)CC 7a_200000230436_100000738999 [0,2,0,0,0,0|2,0,0]=4 12075 B14R0.181 CCCOCCCNCC(=O)N(C)CC 2230a_100011217757_100000738999 [0,2,0,0,0,0|2,0,0]=4 12076 B14R0.181 CCCOCCCNCC(=O)N(C)CC 34a_100011217757_100000738999 [0,2,0,0,0,0|2,0,0]=4 12077 B14R0.181 CCN(C)C(=O)CCCCCCCCO 240690a_100000225621_100000015970 [0,2,0,0,0,0|1,0,0]=3 12078 B14R0.181 CCN(C)C(=O)CNCCCCCCO 2230a_100000686447_100000738999 [0,2,0,0,0,0|2,0,0]=4 12079 B14R0.181 CCN(C)C(=O)CNCCCCCCO 34a_100000686447_100000738999 [0,2,0,0,0,0|2,0,0]=4 12080 B14R0.181 CCN(C)C(=O)CNCCCCCOC 2230a_100000747528_100000738999 [0,2,0,0,0,0|2,0,0]=4 12081 B14R0.181 CCN(C)C(=O)CNCCCCCOC 34a_100000747528_100000738999 [0,2,0,0,0,0|2,0,0]=4 12082 B14R0.181 CCN(C)C(=O)COCCCCCCBr 34a_100011215345_100000738999 [0,2,0,0,0,0|2,0,0]=4 12083 B14R0.181 CCN(C)C(=O)COCCCCCCBr 7a_100011215345_100000738999 [0,2,0,0,0,0|2,0,0]=4 12084 B14R0.181 CCN(C)C(=O)COCCCCCCCl 34a_100000766143_100000738999 [0,2,0,0,0,0|2,0,0]=4 12085 B14R0.181 CCN(C)C(=O)COCCCCCCCl 7a_100000766143_100000738999 [0,2,0,0,0,0|2,0,0]=4 12086 B14R0.181 CCN(C)C(=O)COCCCCCCF 34a_100000732779_100000738999 [0,2,0,0,0,0|2,0,0]=4 12087 B14R0.181 CCN(C)C(=O)COCCCCCCF 7a_100000732779_100000738999 [0,2,0,0,0,0|2,0,0]=4 12088 B14R0.181 CCN(C)C(=O)COCCCCCCN 34a_100000686447_100000738999 [0,2,0,0,0,0|2,0,0]=4 12089 B14R0.181 CCN(C)C(=O)COCCCCCNC 34a_100000722520_100000738999 [0,2,0,0,0,0|2,0,0]=4 12090 B14R0.181 CCN(C)C(=O)CSCCCCCCF 62a_100000738999_100015922095 [0,2,0,0,0,0|2,0,0]=4 12091 B14R0.181 CCN(C)C(=O)CSCCCCCCF 62a_100015922095_100000738999 [0,2,0,0,0,0|2,0,0]=4 12092 B14R0.181 CCN(C)C(=O)CSCCCCCCO 62a_100000738999_100000766143 [0,2,0,0,0,0|2,0,0]=4 12093 B14R0.181 CCN(C)C(=O)CSCCCCCCO 62a_100000766143_100000738999 [0,2,0,0,0,0|2,0,0]=4 12094 B14R0.181 CCN(C)C(=O)NCCCCCCCO 2708a_100011996573_100000225621 [0,2,0,0,0,0|2,0,0]=4 12095 B14R0.181 CCN(C)C(=O)NCCCCCCCO 273464a_100011996573_100000225621 [0,2,0,0,0,0|2,0,0]=4 12096 B14R0.181 CNC(=O)C(=O)CCCCCCCCO 1458a_100011218921_100000033203 [0,2,0,0,0,0|2,0,0]=4 12097 B14R0.181 COC(C)C(=O)CCCCCCCCO 1458a_100000743197_100000033203 [0,2,0,0,0,0|2,0,0]=4 12098 B14R0.181 CSC(C)C(=O)CCCCCCCCO 1458a_100000149566_100000033203 [0,2,0,0,0,0|2,0,0]=4 12099 B14R0.181 O=C(CCCCCCCCO)C(O)CO 1458a_100011215603_100000033203 [0,2,0,0,0,0|2,0,0]=4 12100 B14R0.199 C#CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100010269958 [0,2,0,0,0,0|0,0,2]=4 12101 B14R0.199 C#CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100010269958 [0,2,0,0,0,0|0,0,2]=4 12102 B14R0.199 C#CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100010269958 [0,2,0,0,0,0|0,0,2]=4 12103 B14R0.199 C#CCCCNC(C)CCC(=O)OCC 34a_100000718082_100000748298 [0,2,0,0,0,0|0,0,2]=4 12104 B14R0.199 C#CCCCOC(C)CCC(=O)OCC 34a_100000215630_100000748298 [0,2,0,0,0,0|0,0,2]=4 12105 B14R0.199 C#CCCCOC(C)CCC(=O)OCC 7a_100000215630_100000748298 [0,2,0,0,0,0|0,0,2]=4 12106 B14R0.199 C#CCCCSC(C)CCC(=O)OCC 62a_100000748298_100011215417 [0,2,0,0,0,0|0,0,2]=4 12107 B14R0.199 C#CCCCSC(C)CCC(=O)OCC 62a_100011215417_100000748298 [0,2,0,0,0,0|0,0,2]=4 12108 B14R0.199 C/C=C/CCOC(C)CCC(=O)OCC 34a_100016278192_100000748298 [0,2,0,0,0,0|0,0,2]=4 12109 B14R0.199 C=CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215482 [0,2,0,0,0,0|0,0,2]=4 12110 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100011215482 [0,2,0,0,0,0|0,0,2]=4 12111 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 2230a_100012000471_100011206558 [0,2,0,0,0,0|0,0,2]=4 12112 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100011215482 [0,2,0,0,0,0|0,0,2]=4 12113 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 269982a_100012000471_100011206558 [0,2,0,0,0,0|0,0,2]=4 12114 B14R0.199 C=CCCCNC(C)CCC(=O)OCC 2230a_100000700776_100000748298 [0,2,0,0,0,0|0,0,2]=4 12115 B14R0.199 C=CCCCNC(C)CCC(=O)OCC 34a_100000700776_100000748298 [0,2,0,0,0,0|0,0,2]=4 12116 B14R0.199 C=CCCCOC(C)CCC(=O)OCC 34a_100000758997_100000748298 [0,2,0,0,0,0|0,0,2]=4 12117 B14R0.199 C=CCCCOC(C)CCC(=O)OCC 7a_100000758997_100000748298 [0,2,0,0,0,0|0,0,2]=4 12118 B14R0.199 C=CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000757094 [0,2,0,0,0,0|0,0,2]=4 12119 B14R0.199 C=CCCCSC(C)CCC(=O)OCC 62a_100011713584_100000748298 [0,2,0,0,0,0|0,0,2]=4 12120 B14R0.199 C=COC(=O)CNC(C)CCCCCC 2230a_100000210919_100000036128 [0,2,0,0,0,0|0,0,2]=4 12121 B14R0.199 C=COC(=O)CNC(C)CCCCCC 34a_100000210919_100000036128 [0,2,0,0,0,0|0,0,2]=4 12122 B14R0.199 C=COC(=O)COC(C)CCCCCC 34a_100000210265_100000036128 [0,2,0,0,0,0|0,0,2]=4 12123 B14R0.199 C=COC(=O)CSC(C)CCCCCC 62a_100000036128_100011215978 [0,2,0,0,0,0|0,0,2]=4 12124 B14R0.199 C=COC(=O)CSC(C)CCCCCC 62a_100011215978_100000036128 [0,2,0,0,0,0|0,0,2]=4 12125 B14R0.199 CC#CCCOC(C)CCC(=O)OCC 34a_100000750427_100000748298 [0,2,0,0,0,0|0,0,2]=4 12126 B14R0.199 CC/C=C\CCC(=O)CCC(=O)OCC 1458a_100000183558_100015370543 [0,2,0,0,0,0|0,0,2]=4 12127 B14R0.199 CC/C=C\CCN(C)CCC(=O)OCC 2230a_100000745921_100015370543 [0,2,0,0,0,0|0,0,2]=4 12128 B14R0.199 CC/C=C\CCN(C)CCC(=O)OCC 269982a_100000745921_100015370543 [0,2,0,0,0,0|0,0,2]=4 12129 B14R0.199 CC/C=C\COC(C)CCC(=O)OCC 34a_100016268518_100000748298 [0,2,0,0,0,0|0,0,2]=4 12130 B14R0.199 CC/C=C\CSC(C)CCC(=O)OCC 62a_100000748298_100103147603 [0,2,0,0,0,0|0,0,2]=4 12131 B14R0.199 CC/C=C\CSC(C)CCC(=O)OCC 62a_100103147603_100000748298 [0,2,0,0,0,0|0,0,2]=4 12132 B14R0.199 CCC#CCOC(C)CCC(=O)OCC 34a_100000032950_100000748298 [0,2,0,0,0,0|0,0,2]=4 12133 B14R0.199 CCC#CCSC(C)CCC(=O)OCC 62a_100000748298_100009813939 [0,2,0,0,0,0|0,0,2]=4 12134 B14R0.199 CCC#CCSC(C)CCC(=O)OCC 62a_100009813939_100000748298 [0,2,0,0,0,0|0,0,2]=4 12135 B14R0.199 CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210757 [0,2,0,0,0,0|0,0,2]=4 12136 B14R0.199 CCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210757 [0,2,0,0,0,0|1,0,0]=3 12137 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,2,0,0,0,0|0,0,0]=2 12138 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,2,0,0,0,0|0,0,1]=3 12139 B14R0.199 CCCCCCC(=O)COC(=O)CCC 1458a_100102632555_100000034017 [0,2,0,0,0,0|1,0,1]=4 12140 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100102632555 [0,2,0,0,0,0|1,0,1]=4 12141 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100102632555 [0,2,0,0,0,0|1,0,1]=4 12142 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100102632555 [0,2,0,0,0,0|1,0,1]=4 12143 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100102632555 [0,2,0,0,0,0|1,0,1]=4 12144 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,2,0,0,0,0|0,0,1]=3 12145 B14R0.199 CCCCCCC(C)NCC(=O)CCC 2230a_100000210919_100000747444 [0,2,0,0,0,0|1,0,0]=3 12146 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100000210919_100000183381 [0,2,0,0,0,0|1,0,0]=3 12147 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100016988866_100011215978 [0,2,0,0,0,0|1,0,0]=3 12148 B14R0.199 CCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210826 [0,2,0,0,0,0|1,0,0]=3 12149 B14R0.199 CCCCCCC(C)NCC(=O)NCC 34a_100000210919_100000183381 [0,2,0,0,0,0|1,0,0]=3 12150 B14R0.199 CCCCCCC(C)NCC(=O)NCO 2230a_100000210919_100000185155 [0,2,0,0,0,0|2,0,0]=4 12151 B14R0.199 CCCCCCC(C)NCC(=O)NCO 34a_100000210919_100000185155 [0,2,0,0,0,0|2,0,0]=4 12152 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,2,0,0,0,0|0,0,0]=2 12153 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,2,0,0,0,0|0,0,0]=2 12154 B14R0.199 CCCCCCC(C)OCC(=O)CCC 7a_100000210265_100000747444 [0,2,0,0,0,0|1,0,0]=3 12155 B14R0.199 CCCCCCC(C)OCC(=O)NCC 34a_100000210265_100000183381 [0,2,0,0,0,0|1,0,0]=3 12156 B14R0.199 CCCCCCC(C)OCC(=O)NCC 7a_100000210265_100000183381 [0,2,0,0,0,0|1,0,0]=3 12157 B14R0.199 CCCCCCC(C)OCC(=O)NCO 34a_100000210265_100000185155 [0,2,0,0,0,0|2,0,0]=4 12158 B14R0.199 CCCCCCC(C)OCC(=O)NCO 7a_100000210265_100000185155 [0,2,0,0,0,0|2,0,0]=4 12159 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,2,0,0,0,0|0,0,0]=2 12160 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,2,0,0,0,0|0,0,0]=2 12161 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100000747444_100011215978 [0,2,0,0,0,0|1,0,0]=3 12162 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100011215978_100000747444 [0,2,0,0,0,0|1,0,0]=3 12163 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100000183381_100011215978 [0,2,0,0,0,0|1,0,0]=3 12164 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100011215978_100000183381 [0,2,0,0,0,0|1,0,0]=3 12165 B14R0.199 CCCCCCC(C)SCC(=O)NCO 62a_100000185155_100011215978 [0,2,0,0,0,0|2,0,0]=4 12166 B14R0.199 CCCCCCC(C)SCC(=O)NCO 62a_100011215978_100000185155 [0,2,0,0,0,0|2,0,0]=4 12167 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,2,0,0,0,0|0,0,0]=2 12168 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,2,0,0,0,0|0,0,0]=2 12169 B14R0.199 CCCCCCN(C)CCC(=O)NCC 2230a_106256046315_100000737597 [0,2,0,0,0,0|1,0,0]=3 12170 B14R0.199 CCCCCCN(C)CCC(=O)NCC 269982a_106256046315_100000737597 [0,2,0,0,0,0|1,0,0]=3 12171 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,2,0,0,0,0|0,0,0]=2 12172 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,2,0,0,0,0|0,0,0]=2 12173 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,2,0,0,0,0|0,0,0]=2 12174 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,2,0,0,0,0|0,0,0]=2 12175 B14R0.199 CCCCCCN(C)COC(=O)CCC 2230a_106256046315_100000034017 [0,2,0,0,0,0|2,0,0]=4 12176 B14R0.199 CCCCCCN(C)COC(=O)CCC 269982a_106256046315_100000034017 [0,2,0,0,0,0|2,0,0]=4 12177 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 11a_100000209983_100000199579 [0,2,0,0,0,0|1,0,1]=4 12178 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 1626a_100000209983_100000199579 [0,2,0,0,0,0|1,0,1]=4 12179 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 240690a_100000209983_100000199579 [0,2,0,0,0,0|1,0,1]=4 12180 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 11a_100000209983_100000183558 [0,2,0,0,0,0|0,0,1]=3 12181 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 1626a_100000209983_100000183558 [0,2,0,0,0,0|0,0,1]=3 12182 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 240690a_100000209983_100000183558 [0,2,0,0,0,0|0,0,1]=3 12183 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 11a_100000209983_100000190774 [0,2,0,0,0,0|1,0,1]=4 12184 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 1626a_100000209983_100000190774 [0,2,0,0,0,0|1,0,1]=4 12185 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 240690a_100000209983_100000190774 [0,2,0,0,0,0|1,0,1]=4 12186 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 527a_100000209983_100000190774 [0,2,0,0,0,0|1,0,1]=4 12187 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,2,0,0,0,0|0,0,0]=2 12188 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,2,0,0,0,0|0,0,0]=2 12189 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,2,0,0,0,0|0,0,0]=2 12190 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,2,0,0,0,0|0,0,0]=2 12191 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,2,0,0,0,0|0,0,0]=2 12192 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 2230a_100000102301_100011215850 [0,2,0,0,0,0|1,0,1]=4 12193 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 7a_106832991798_100011215850 [0,2,0,0,0,0|1,0,1]=4 12194 B14R0.199 CCCCNN=C(C)CCC(=O)OCC 4a_100025702795_100011212338 [0,2,0,0,0,0|1,0,1]=4 12195 B14R0.199 CCCCOCC(=O)CCC(=O)NCC 1458a_100000199579_100011995733 [0,2,0,0,0,0|1,0,1]=4 12196 B14R0.199 CCCCOCC(=O)CCC(=O)OCC 1458a_100000183558_100011995733 [0,2,0,0,0,0|0,0,1]=3 12197 B14R0.199 CCCCOCC(=O)CNC(=O)OCC 1458a_100000190774_100011995733 [0,2,0,0,0,0|1,0,1]=4 12198 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000757543 [0,2,0,0,0,0|1,0,1]=4 12199 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 34a_100000210227_100011215850 [0,2,0,0,0,0|1,0,1]=4 12200 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 7a_100000210227_100011215850 [0,2,0,0,0,0|1,0,1]=4 12201 B14R0.199 CCCCOCC(C)OCC(=O)CCC 7a_100011217071_100000747444 [0,2,0,0,0,0|2,0,0]=4 12202 B14R0.199 CCCCOCC(C)OCC(=O)NCC 34a_100011217071_100000183381 [0,2,0,0,0,0|2,0,0]=4 12203 B14R0.199 CCCCOCC(C)OCC(=O)NCC 7a_100011217071_100000183381 [0,2,0,0,0,0|2,0,0]=4 12204 B14R0.199 CCCCOCC(C)OCC(=O)OCC 34a_100011217071_100000188475 [0,2,0,0,0,0|1,0,0]=3 12205 B14R0.199 CCCCOCC(C)OCC(=O)OCC 7a_100011217071_100000188475 [0,2,0,0,0,0|1,0,0]=3 12206 B14R0.199 CCCCOCN(C)CCC(=O)OCC 2230a_100000745921_100011995733 [0,2,0,0,0,0|1,0,0]=3 12207 B14R0.199 CCCCOCN(C)CCC(=O)OCC 269982a_100000745921_100011995733 [0,2,0,0,0,0|1,0,0]=3 12208 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000191162 [0,2,0,0,0,0|1,0,1]=4 12209 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100000210211_100011215850 [0,2,0,0,0,0|1,0,1]=4 12210 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210210 [0,2,0,0,0,0|1,0,1]=4 12211 B14R0.199 CCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100011215938 [0,2,0,0,0,0|1,0,1]=4 12212 B14R0.199 CCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215938 [0,2,0,0,0,0|0,0,1]=3 12213 B14R0.199 CCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215938 [0,2,0,0,0,0|1,0,1]=4 12214 B14R0.199 CCCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215938 [0,2,0,0,0,0|1,0,0]=3 12215 B14R0.199 CCCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215938 [0,2,0,0,0,0|1,0,0]=3 12216 B14R0.199 CCNC(=O)CCC(=O)CCCCCF 1458a_100000199579_100000729378 [0,2,0,0,0,0|1,0,1]=4 12217 B14R0.199 CCNC(=O)CCC(=O)CCCCCO 1458a_100000199579_100000746330 [0,2,0,0,0,0|1,0,1]=4 12218 B14R0.199 CCNC(=O)CCC(=O)CCCCOC 1458a_100000199579_100000755781 [0,2,0,0,0,0|1,0,1]=4 12219 B14R0.199 CCNC(=O)CCC(=O)CCCOCC 1458a_100000199579_100012232248 [0,2,0,0,0,0|1,0,1]=4 12220 B14R0.199 CCNC(=O)CCN(C)CCCCCO 2230a_100000722520_100000737597 [0,2,0,0,0,0|2,0,0]=4 12221 B14R0.199 CCNC(=O)CCN(C)CCCCCO 269982a_100000722520_100000737597 [0,2,0,0,0,0|2,0,0]=4 12222 B14R0.199 CCOC(=O)CCC(=O)CCCCC#N 1458a_100000183558_100000211819 [0,2,0,0,0,0|0,0,2]=4 12223 B14R0.199 CCOC(=O)CCC(=O)CCCCCF 1458a_100000183558_100000729378 [0,2,0,0,0,0|0,0,1]=3 12224 B14R0.199 CCOC(=O)CCC(=O)CCCCCO 1458a_100000183558_100000746330 [0,2,0,0,0,0|0,0,1]=3 12225 B14R0.199 CCOC(=O)CCC(=O)CCCCOC 1458a_100000183558_100000755781 [0,2,0,0,0,0|0,0,1]=3 12226 B14R0.199 CCOC(=O)CCC(=O)CCOCCO 1458a_100000183558_100011215305 [0,2,0,0,0,0|1,0,1]=4 12227 B14R0.199 CCOC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000183558 [0,2,0,0,0,0|1,0,1]=4 12228 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000183558 [0,2,0,0,0,0|1,0,1]=4 12229 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000183558 [0,2,0,0,0,0|1,0,1]=4 12230 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 11a_100000749238_100000183558 [0,2,0,0,0,0|1,0,1]=4 12231 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000183558 [0,2,0,0,0,0|1,0,1]=4 12232 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000183558 [0,2,0,0,0,0|1,0,1]=4 12233 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 11a_100000106463_100000183558 [0,2,0,0,0,0|1,0,1]=4 12234 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000183558 [0,2,0,0,0,0|1,0,1]=4 12235 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000183558 [0,2,0,0,0,0|1,0,1]=4 12236 B14R0.199 CCOC(=O)CCC(C)NCCCCO 2230a_100000750430_100000748298 [0,2,0,0,0,0|1,0,0]=3 12237 B14R0.199 CCOC(=O)CCC(C)NCCCCO 34a_100000750430_100000748298 [0,2,0,0,0,0|1,0,0]=3 12238 B14R0.199 CCOC(=O)CCC(C)NCCCOC 34a_100150723488_100000748298 [0,2,0,0,0,0|1,0,0]=3 12239 B14R0.199 CCOC(=O)CCC(C)NCCCSC 2230a_100000749238_100000748298 [0,2,0,0,0,0|1,0,0]=3 12240 B14R0.199 CCOC(=O)CCC(C)NCCSCC 2230a_100000106463_100000748298 [0,2,0,0,0,0|1,0,0]=3 12241 B14R0.199 CCOC(=O)CCC(C)OCCCCBr 34a_100011216708_100000748298 [0,2,0,0,0,0|1,0,0]=3 12242 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 34a_100000210776_100000748298 [0,2,0,0,0,0|1,0,0]=3 12243 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 7a_100000210776_100000748298 [0,2,0,0,0,0|1,0,0]=3 12244 B14R0.199 CCOC(=O)CCC(C)OCCCCF 34a_100011995726_100000748298 [0,2,0,0,0,0|1,0,0]=3 12245 B14R0.199 CCOC(=O)CCC(C)OCCCCF 7a_100011995726_100000748298 [0,2,0,0,0,0|1,0,0]=3 12246 B14R0.199 CCOC(=O)CCC(C)OCCCCI 34a_200012148704_100000748298 [0,2,0,0,0,0|1,0,0]=3 12247 B14R0.199 CCOC(=O)CCC(C)OCCCCN 34a_100000750430_100000748298 [0,2,0,0,0,0|1,0,0]=3 12248 B14R0.199 CCOC(=O)CCC(C)OCCCNC 34a_100000213112_100000748298 [0,2,0,0,0,0|1,0,0]=3 12249 B14R0.199 CCOC(=O)CCC(C)OCCCOC 34a_100000740835_100000748298 [0,2,0,0,0,0|1,0,0]=3 12250 B14R0.199 CCOC(=O)CCC(C)OCCCSC 34a_100000690336_100000748298 [0,2,0,0,0,0|1,0,0]=3 12251 B14R0.199 CCOC(=O)CCC(C)OCCCSC 7a_100000690336_100000748298 [0,2,0,0,0,0|1,0,0]=3 12252 B14R0.199 CCOC(=O)CCC(C)OCCSCC 34a_100000212035_100000748298 [0,2,0,0,0,0|1,0,0]=3 12253 B14R0.199 CCOC(=O)CCC(C)OCCSCC 7a_100000212035_100000748298 [0,2,0,0,0,0|1,0,0]=3 12254 B14R0.199 CCOC(=O)CCC(C)SCCCC#N 62a_100000687738_100000748298 [0,2,0,0,0,0|1,0,1]=4 12255 B14R0.199 CCOC(=O)CCC(C)SCCCC#N 62a_100000748298_100000687738 [0,2,0,0,0,0|1,0,1]=4 12256 B14R0.199 CCOC(=O)CCC(C)SCCCC=O 62a_100000748298_200011292268 [0,2,0,0,0,0|1,0,1]=4 12257 B14R0.199 CCOC(=O)CCC(C)SCCCC=O 62a_200011292268_100000748298 [0,2,0,0,0,0|1,0,1]=4 12258 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000729493_100000748298 [0,2,0,0,0,0|1,0,0]=3 12259 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000748298_100000729493 [0,2,0,0,0,0|1,0,0]=3 12260 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000210776_100000748298 [0,2,0,0,0,0|1,0,0]=3 12261 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000748298_100000210776 [0,2,0,0,0,0|1,0,0]=3 12262 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000709357_100000748298 [0,2,0,0,0,0|1,0,0]=3 12263 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000748298_100000709357 [0,2,0,0,0,0|1,0,0]=3 12264 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000748298_100000757381 [0,2,0,0,0,0|1,0,0]=3 12265 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000757381_100000748298 [0,2,0,0,0,0|1,0,0]=3 12266 B14R0.199 CCOC(=O)CCN(C)CCCCC#N 2230a_100000745921_100000211819 [0,2,0,0,0,0|1,0,1]=4 12267 B14R0.199 CCOC(=O)CCN(C)CCCCC#N 269982a_100000745921_100011219923 [0,2,0,0,0,0|1,0,1]=4 12268 B14R0.199 CCOC(=O)CCN(C)CCCCC=O 2230a_100000745921_100000139335 [0,2,0,0,0,0|1,0,1]=4 12269 B14R0.199 CCOC(=O)CCN(C)CCCCC=O 269982a_100000745921_100000139335 [0,2,0,0,0,0|1,0,1]=4 12270 B14R0.199 CCOC(=O)CCN(C)CCCCCF 2230a_100000745921_100000729378 [0,2,0,0,0,0|1,0,0]=3 12271 B14R0.199 CCOC(=O)CCN(C)CCCCCF 269982a_100000745921_100000729378 [0,2,0,0,0,0|1,0,0]=3 12272 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000722520_100011206558 [0,2,0,0,0,0|1,0,0]=3 12273 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000745921_100000746330 [0,2,0,0,0,0|1,0,0]=3 12274 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000722520_100011206558 [0,2,0,0,0,0|1,0,0]=3 12275 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000745921_100000746330 [0,2,0,0,0,0|1,0,0]=3 12276 B14R0.199 CCOC(=O)CCN(C)CCCCOC 2230a_100000745921_100000730899 [0,2,0,0,0,0|1,0,0]=3 12277 B14R0.199 CCOC(=O)CCN(C)CCCCOC 269982a_100000745921_100000730899 [0,2,0,0,0,0|1,0,0]=3 12278 B14R0.199 CCOC(=O)CCN(C)CCOCCO 2230a_100000228057_100011206558 [0,2,0,0,0,0|2,0,0]=4 12279 B14R0.199 CCOC(=O)CCN(C)CCOCCO 2230a_100000745921_100011215305 [0,2,0,0,0,0|2,0,0]=4 12280 B14R0.199 CCOC(=O)CCN(C)CCOCCO 269982a_100000228057_100011206558 [0,2,0,0,0,0|2,0,0]=4 12281 B14R0.199 CCOC(=O)CCN(C)CCOCCO 269982a_100000745921_100011215305 [0,2,0,0,0,0|2,0,0]=4 12282 B14R0.199 CCOC(=O)CCN(C)COCCOC 2230a_100000745921_100000231047 [0,2,0,0,0,0|2,0,0]=4 12283 B14R0.199 CCOC(=O)CCN(C)COCCOC 269982a_100000745921_100000231047 [0,2,0,0,0,0|2,0,0]=4 12284 B14R0.199 CCOC(=O)CNC(=O)CCCCCO 188690a_100000741813_100102619762 [0,2,0,0,0,0|1,0,1]=4 12285 B14R0.199 CCOC(=O)NCC(=O)CCCCCF 1458a_100000190774_100000729378 [0,2,0,0,0,0|1,0,1]=4 12286 B14R0.199 CCOC(=O)NCC(=O)CCCCCO 1458a_100000190774_100000746330 [0,2,0,0,0,0|1,0,1]=4 12287 B14R0.199 CCOC(=O)NCC(=O)CCCCOC 1458a_100000190774_100000755781 [0,2,0,0,0,0|1,0,1]=4 12288 B14R0.199 CCOCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012232248 [0,2,0,0,0,0|0,0,1]=3 12289 B14R0.199 CCOCCCC(=O)CNC(=O)OCC 1458a_100000190774_100012232248 [0,2,0,0,0,0|1,0,1]=4 12290 B14R0.199 CCOCCCN(C)CCC(=O)OCC 2230a_100000745921_100012232248 [0,2,0,0,0,0|1,0,0]=3 12291 B14R0.199 CCOCCCN(C)CCC(=O)OCC 269982a_100000745921_100012232248 [0,2,0,0,0,0|1,0,0]=3 12292 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 11a_100011200944_100000183558 [0,2,0,0,0,0|1,0,1]=4 12293 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 1626a_102516460346_100000183558 [0,2,0,0,0,0|1,0,1]=4 12294 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 240690a_100011200944_100000183558 [0,2,0,0,0,0|1,0,1]=4 12295 B14R0.199 CCOCCNC(C)CCC(=O)OCC 2230a_102516460346_100000748298 [0,2,0,0,0,0|1,0,0]=3 12296 B14R0.199 CCOCCNC(C)CCC(=O)OCC 34a_102516460346_100000748298 [0,2,0,0,0,0|1,0,0]=3 12297 B14R0.199 CCOCCOC(C)CCC(=O)OCC 34a_100000210136_100000748298 [0,2,0,0,0,0|1,0,0]=3 12298 B14R0.199 CCOCCOC(C)CCC(=O)OCC 7a_100000210136_100000748298 [0,2,0,0,0,0|1,0,0]=3 12299 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000210147_100000748298 [0,2,0,0,0,0|1,0,0]=3 12300 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000748298_100011215890 [0,2,0,0,0,0|1,0,0]=3 12301 B14R0.391 C#CCCCCCCCC(=O)CC(C)C 1458a_100000087357_100000210624 [0,2,0,0,0,0|1,0,1]=4 12302 B14R0.391 C#CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100153394163 [0,2,0,0,0,0|1,0,1]=4 12303 B14R0.391 C#CCCCCCCCC(=O)CC(C)O 1458a_100000087357_100011218427 [0,2,0,0,0,0|1,0,1]=4 12304 B14R0.391 C#CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100153394163 [0,2,0,0,0,0|1,0,1]=4 12305 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000087357 [0,2,0,0,0,0|1,0,1]=4 12306 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000087357 [0,2,0,0,0,0|1,0,1]=4 12307 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000087357 [0,2,0,0,0,0|1,0,1]=4 12308 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000087357 [0,2,0,0,0,0|1,0,1]=4 12309 B14R0.391 C#CCCCCCOCC(=O)OC(C)C 34a_100000766912_100011215430 [0,2,0,0,0,0|0,0,2]=4 12310 B14R0.391 C#CCCCCCOCC(=O)OC(C)C 7a_100000766912_100011215430 [0,2,0,0,0,0|0,0,2]=4 12311 B14R0.391 C#CCCCCCSCC(=O)OC(C)C 62a_100011215430_100012094781 [0,2,0,0,0,0|0,0,2]=4 12312 B14R0.391 C#CCCCCCSCC(=O)OC(C)C 62a_100012094781_100011215430 [0,2,0,0,0,0|0,0,2]=4 12313 B14R0.391 C#CCCCCNCCC(=O)OC(C)C 2230a_100000706060_100000760027 [0,2,0,0,0,0|0,0,2]=4 12314 B14R0.391 C#CCCCCOCCC(=O)OC(C)C 7a_100000766709_100000760027 [0,2,0,0,0,0|0,0,2]=4 12315 B14R0.391 C#CCCCCSCCC(=O)OC(C)C 62a_100000760027_100010269958 [0,2,0,0,0,0|0,0,2]=4 12316 B14R0.391 C#CCCCCSCCC(=O)OC(C)C 62a_100010269958_100000760027 [0,2,0,0,0,0|0,0,2]=4 12317 B14R0.391 C#CCNCCCCCC(=O)OC(C)C 34a_100000212058_200010986244 [0,2,0,0,0,0|0,0,2]=4 12318 B14R0.391 C#CCOCCCCCC(=O)OC(C)C 34a_100000210247_200010986244 [0,2,0,0,0,0|0,0,2]=4 12319 B14R0.391 C#CCSCCCCCC(=O)OC(C)C 62a_100000038162_200010986244 [0,2,0,0,0,0|0,0,2]=4 12320 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,2,0,0,0,0|1,0,1]=4 12321 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100012355270 [0,2,0,0,0,0|1,0,1]=4 12322 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100011216160_100000210624 [0,2,0,0,0,0|1,0,1]=4 12323 B14R0.391 C=CCCCCCCCC(=O)CC(C)O 1458a_100011216160_100011218427 [0,2,0,0,0,0|1,0,1]=4 12324 B14R0.391 C=CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012355270 [0,2,0,0,0,0|1,0,1]=4 12325 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 11a_100138425928_100011216160 [0,2,0,0,0,0|1,0,1]=4 12326 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100011216160 [0,2,0,0,0,0|1,0,1]=4 12327 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100011216160 [0,2,0,0,0,0|1,0,1]=4 12328 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 527a_100138425928_100011216160 [0,2,0,0,0,0|1,0,1]=4 12329 B14R0.391 C=CCCCCCOCC(=O)OC(C)C 34a_100011216702_100011215430 [0,2,0,0,0,0|0,0,2]=4 12330 B14R0.391 C=CCCCCCOCC(=O)OC(C)C 7a_100011216702_100011215430 [0,2,0,0,0,0|0,0,2]=4 12331 B14R0.391 C=CCCCCCSCC(=O)OC(C)C 62a_100000700193_100011215430 [0,2,0,0,0,0|0,0,2]=4 12332 B14R0.391 C=CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000700193 [0,2,0,0,0,0|0,0,2]=4 12333 B14R0.391 C=CCCCCNCCC(=O)OC(C)C 2230a_100000703577_100000760027 [0,2,0,0,0,0|0,0,2]=4 12334 B14R0.391 C=CCCCCOCCC(=O)OC(C)C 7a_100000766645_100000760027 [0,2,0,0,0,0|0,0,2]=4 12335 B14R0.391 C=CCCCCSCCC(=O)OC(C)C 62a_100000760027_100011215482 [0,2,0,0,0,0|0,0,2]=4 12336 B14R0.391 C=CCCCCSCCC(=O)OC(C)C 62a_100011215482_100000760027 [0,2,0,0,0,0|0,0,2]=4 12337 B14R0.391 C=CCNCCCCCC(=O)OC(C)C 2230a_100020586998_200010986244 [0,2,0,0,0,0|0,0,2]=4 12338 B14R0.391 C=CCOCCCCCC(=O)OC(C)C 34a_200000210373_200010986244 [0,2,0,0,0,0|0,0,2]=4 12339 B14R0.391 C=CCSCCCCCC(=O)OC(C)C 62a_100000210623_200010986244 [0,2,0,0,0,0|0,0,2]=4 12340 B14R0.391 C=CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210623 [0,2,0,0,0,0|0,0,2]=4 12341 B14R0.391 CC(=CC(=O)CCCCCCCCO)C 1458a_100000211388_100000033203 [0,2,0,0,0,0|1,0,1]=4 12342 B14R0.391 CC(=CC(=O)CCCCCCCCO)Cl 1458a_200042562850_100000033203 [0,2,0,0,0,0|1,0,1]=4 12343 B14R0.391 CC(=CC(=O)CCCCCCCCO)I 1458a_100025716642_100000033203 [0,2,0,0,0,0|1,0,1]=4 12344 B14R0.391 CC(C)CC(=O)CCCCCCCCO 1458a_100000210554_100000033203 [0,2,0,0,0,0|1,0,0]=3 12345 B14R0.391 CC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000210554 [0,2,0,0,0,0|2,0,0]=4 12346 B14R0.391 CC(C)NC(=O)CCCCCCCCO 240690a_100138425928_100000015970 [0,2,0,0,0,0|1,0,0]=3 12347 B14R0.391 CC(C)NC(=O)CCNCCCCCO 2230a_100000762737_100000737564 [0,2,0,0,0,0|2,0,0]=4 12348 B14R0.391 CC(C)NC(=O)CCOCCCCCBr 7a_100000746331_100000737564 [0,2,0,0,0,0|2,0,0]=4 12349 B14R0.391 CC(C)NC(=O)CCOCCCCCCl 7a_100000746330_100000737564 [0,2,0,0,0,0|2,0,0]=4 12350 B14R0.391 CC(C)NC(=O)CCOCCCCCI 7a_200012148887_100000737564 [0,2,0,0,0,0|2,0,0]=4 12351 B14R0.391 CC(C)NC(=O)CCSCCCCCF 62a_100000729378_100000737564 [0,2,0,0,0,0|2,0,0]=4 12352 B14R0.391 CC(C)NC(=O)CCSCCCCCF 62a_100000737564_100000729378 [0,2,0,0,0,0|2,0,0]=4 12353 B14R0.391 CC(C)NC(=O)CCSCCCCCO 62a_100000737564_100000746330 [0,2,0,0,0,0|2,0,0]=4 12354 B14R0.391 CC(C)NC(=O)CCSCCCCCO 62a_100000746330_100000737564 [0,2,0,0,0,0|2,0,0]=4 12355 B14R0.391 CC(C)NC(=O)CNCCCCCCF 2230a_100000168517_100015922095 [0,2,0,0,0,0|2,0,0]=4 12356 B14R0.391 CC(C)NC(=O)CNCCCCCCO 2230a_100000168517_100000766143 [0,2,0,0,0,0|2,0,0]=4 12357 B14R0.391 CC(C)NC(=O)CNCCCCCCO 2230a_100000686447_100000183996 [0,2,0,0,0,0|2,0,0]=4 12358 B14R0.391 CC(C)NC(=O)CNCCCCCCO 34a_100000686447_100000183996 [0,2,0,0,0,0|2,0,0]=4 12359 B14R0.391 CC(C)NC(=O)COCCCCCCBr 34a_100011215345_100000183996 [0,2,0,0,0,0|2,0,0]=4 12360 B14R0.391 CC(C)NC(=O)COCCCCCCBr 7a_100011215345_100000183996 [0,2,0,0,0,0|2,0,0]=4 12361 B14R0.391 CC(C)NC(=O)COCCCCCCCl 34a_100000766143_100000183996 [0,2,0,0,0,0|2,0,0]=4 12362 B14R0.391 CC(C)NC(=O)COCCCCCCCl 7a_100000766143_100000183996 [0,2,0,0,0,0|2,0,0]=4 12363 B14R0.391 CC(C)NC(=O)COCCCCCCF 34a_100000732779_100000183996 [0,2,0,0,0,0|2,0,0]=4 12364 B14R0.391 CC(C)NC(=O)COCCCCCCF 7a_100000732779_100000183996 [0,2,0,0,0,0|2,0,0]=4 12365 B14R0.391 CC(C)NC(=O)COCCCCCCN 34a_100000686447_100000183996 [0,2,0,0,0,0|2,0,0]=4 12366 B14R0.391 CC(C)NC(=O)CSCCCCCCF 62a_100000183996_100015922095 [0,2,0,0,0,0|2,0,0]=4 12367 B14R0.391 CC(C)NC(=O)CSCCCCCCF 62a_100015922095_100000183996 [0,2,0,0,0,0|2,0,0]=4 12368 B14R0.391 CC(C)NC(=O)CSCCCCCCO 62a_100000183996_100000766143 [0,2,0,0,0,0|2,0,0]=4 12369 B14R0.391 CC(C)NC(=O)CSCCCCCCO 62a_100000766143_100000183996 [0,2,0,0,0,0|2,0,0]=4 12370 B14R0.391 CC(C)NC(=O)NCCCCCCCO 2708a_100011996573_100138425928 [0,2,0,0,0,0|2,0,0]=4 12371 B14R0.391 CC(C)NC(=O)NCCCCCCCO 2708a_100138425928_100011996573 [0,2,0,0,0,0|2,0,0]=4 12372 B14R0.391 CC(C)NC(=O)NCCCCCCCO 273464a_100138425928_100011996573 [0,2,0,0,0,0|2,0,0]=4 12373 B14R0.391 CC(C)NC(=O)NCCCCCCCO 512a_100011996573_100138425928 [0,2,0,0,0,0|2,0,0]=4 12374 B14R0.391 CC(C)NC(=O)NCCCCCCCO 512a_100138425928_100011996573 [0,2,0,0,0,0|2,0,0]=4 12375 B14R0.391 CC(C)OC(=O)CCCCCNCCF 34a_100000724931_200010986244 [0,2,0,0,0,0|1,0,0]=3 12376 B14R0.391 CC(C)OC(=O)CCCCCNCCO 2230a_100016997473_200010986244 [0,2,0,0,0,0|1,0,0]=3 12377 B14R0.391 CC(C)OC(=O)CCCCCNCCO 34a_100016990907_200010986244 [0,2,0,0,0,0|1,0,0]=3 12378 B14R0.391 CC(C)OC(=O)CCCCCOCCBr 34a_100000211926_200010986244 [0,2,0,0,0,0|1,0,0]=3 12379 B14R0.391 CC(C)OC(=O)CCCCCOCCN 34a_100000210304_200010986244 [0,2,0,0,0,0|1,0,0]=3 12380 B14R0.391 CC(C)OC(=O)CCCCCSCC#N 62a_100011215382_200010986244 [0,2,0,0,0,0|1,0,1]=4 12381 B14R0.391 CC(C)OC(=O)CCCCCSCC#N 62a_200010986244_100011215382 [0,2,0,0,0,0|1,0,1]=4 12382 B14R0.391 CC(C)OC(=O)CCCCCSCC=O 62a_200010986244_200015260668 [0,2,0,0,0,0|1,0,1]=4 12383 B14R0.391 CC(C)OC(=O)CCCCCSCC=O 62a_200015260668_200010986244 [0,2,0,0,0,0|1,0,1]=4 12384 B14R0.391 CC(C)OC(=O)CCCCCSCCF 62a_100011217306_200010986244 [0,2,0,0,0,0|1,0,0]=3 12385 B14R0.391 CC(C)OC(=O)CCCCCSCCF 62a_200010986244_100011217306 [0,2,0,0,0,0|1,0,0]=3 12386 B14R0.391 CC(C)OC(=O)CCCCCSCCO 62a_100000211926_200010986244 [0,2,0,0,0,0|1,0,0]=3 12387 B14R0.391 CC(C)OC(=O)CCCCCSCCO 62a_200010986244_100000211926 [0,2,0,0,0,0|1,0,0]=3 12388 B14R0.391 CC(C)OC(=O)CCNCCCCCO 2230a_100000762737_100000760027 [0,2,0,0,0,0|1,0,0]=3 12389 B14R0.391 CC(C)OC(=O)CCNCCOCCO 2230a_100000211614_100000760027 [0,2,0,0,0,0|2,0,0]=4 12390 B14R0.391 CC(C)OC(=O)CCNCCSCCO 2230a_100011219999_100000760027 [0,2,0,0,0,0|2,0,0]=4 12391 B14R0.391 CC(C)OC(=O)CCOCCCCCBr 7a_100000746331_100000760027 [0,2,0,0,0,0|1,0,0]=3 12392 B14R0.391 CC(C)OC(=O)CCOCCCCCCl 7a_100000746330_100000760027 [0,2,0,0,0,0|1,0,0]=3 12393 B14R0.391 CC(C)OC(=O)CCOCCCCCI 7a_200012148887_100000760027 [0,2,0,0,0,0|1,0,0]=3 12394 B14R0.391 CC(C)OC(=O)CCOCCOCCBr 7a_100000692535_100000760027 [0,2,0,0,0,0|2,0,0]=4 12395 B14R0.391 CC(C)OC(=O)CCOCCOCCCl 7a_100011215305_100000760027 [0,2,0,0,0,0|2,0,0]=4 12396 B14R0.391 CC(C)OC(=O)CCOCCOCCF 7a_200015357709_100000760027 [0,2,0,0,0,0|2,0,0]=4 12397 B14R0.391 CC(C)OC(=O)CCOCCOCCI 7a_100012149058_100000760027 [0,2,0,0,0,0|2,0,0]=4 12398 B14R0.391 CC(C)OC(=O)CCSCCCCC#N 62a_100000760027_100000211819 [0,2,0,0,0,0|1,0,1]=4 12399 B14R0.391 CC(C)OC(=O)CCSCCCCC#N 62a_100011219923_100000760027 [0,2,0,0,0,0|1,0,1]=4 12400 B14R0.391 CC(C)OC(=O)CCSCCCCC=O 62a_100000139335_100000760027 [0,2,0,0,0,0|1,0,1]=4 12401 B14R0.391 CC(C)OC(=O)CCSCCCCC=O 62a_100000760027_100000139335 [0,2,0,0,0,0|1,0,1]=4 12402 B14R0.391 CC(C)OC(=O)CCSCCCCCF 62a_100000729378_100000760027 [0,2,0,0,0,0|1,0,0]=3 12403 B14R0.391 CC(C)OC(=O)CCSCCCCCF 62a_100000760027_100000729378 [0,2,0,0,0,0|1,0,0]=3 12404 B14R0.391 CC(C)OC(=O)CCSCCCCCO 62a_100000746330_100000760027 [0,2,0,0,0,0|1,0,0]=3 12405 B14R0.391 CC(C)OC(=O)CCSCCCCCO 62a_100000760027_100000746330 [0,2,0,0,0,0|1,0,0]=3 12406 B14R0.391 CC(C)OC(=O)CCSCCOCCO 62a_100000760027_100011215305 [0,2,0,0,0,0|2,0,0]=4 12407 B14R0.391 CC(C)OC(=O)CCSCCOCCO 62a_100011215305_100000760027 [0,2,0,0,0,0|2,0,0]=4 12408 B14R0.391 CC(C)OC(=O)CNCCCCCCO 2230a_100000686447_100011215430 [0,2,0,0,0,0|1,0,0]=3 12409 B14R0.391 CC(C)OC(=O)CNCCCCCCO 34a_100000686447_100011215430 [0,2,0,0,0,0|1,0,0]=3 12410 B14R0.391 CC(C)OC(=O)COCCCCCCBr 34a_100011215345_100011215430 [0,2,0,0,0,0|1,0,0]=3 12411 B14R0.391 CC(C)OC(=O)COCCCCCCBr 7a_100011215345_100011215430 [0,2,0,0,0,0|1,0,0]=3 12412 B14R0.391 CC(C)OC(=O)COCCCCCCCl 34a_100000766143_100011215430 [0,2,0,0,0,0|1,0,0]=3 12413 B14R0.391 CC(C)OC(=O)COCCCCCCCl 7a_100000766143_100011215430 [0,2,0,0,0,0|1,0,0]=3 12414 B14R0.391 CC(C)OC(=O)COCCCCCCF 34a_100000732779_100011215430 [0,2,0,0,0,0|1,0,0]=3 12415 B14R0.391 CC(C)OC(=O)COCCCCCCF 7a_100000732779_100011215430 [0,2,0,0,0,0|1,0,0]=3 12416 B14R0.391 CC(C)OC(=O)COCCCCCCN 34a_100000686447_100011215430 [0,2,0,0,0,0|1,0,0]=3 12417 B14R0.391 CC(C)OC(=O)CSCCCCCC#N 62a_100009813376_100011215430 [0,2,0,0,0,0|1,0,1]=4 12418 B14R0.391 CC(C)OC(=O)CSCCCCCC#N 62a_100011215430_100009813376 [0,2,0,0,0,0|1,0,1]=4 12419 B14R0.391 CC(C)OC(=O)CSCCCCCC=O 62a_100000139337_100011215430 [0,2,0,0,0,0|1,0,1]=4 12420 B14R0.391 CC(C)OC(=O)CSCCCCCC=O 62a_100011215430_100000139337 [0,2,0,0,0,0|1,0,1]=4 12421 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100011215430_100015922095 [0,2,0,0,0,0|1,0,0]=3 12422 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100015922095_100011215430 [0,2,0,0,0,0|1,0,0]=3 12423 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100000766143_100011215430 [0,2,0,0,0,0|1,0,0]=3 12424 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100011215430_100000766143 [0,2,0,0,0,0|1,0,0]=3 12425 B14R0.391 CC(C)OC(=O)OCSCCCCCF 62a_100000003507_100000729378 [0,2,0,0,0,0|2,0,0]=4 12426 B14R0.391 CC(C)OC(=O)OCSCCCCCF 62a_100000729378_100000003507 [0,2,0,0,0,0|2,0,0]=4 12427 B14R0.391 CC(C)OC(=O)OCSCCCCCO 62a_100000003507_100000746330 [0,2,0,0,0,0|2,0,0]=4 12428 B14R0.391 CC(C)OC(=O)OCSCCCCCO 62a_100000746330_100000003507 [0,2,0,0,0,0|2,0,0]=4 12429 B14R0.391 CC/C=C/CCCOCC(=O)OC(C)C 34a_100016287902_100011215430 [0,2,0,0,0,0|0,0,2]=4 12430 B14R0.391 CC/C=C/CCCOCC(=O)OC(C)C 7a_100016287902_100011215430 [0,2,0,0,0,0|0,0,2]=4 12431 B14R0.391 CC/C=C\CCOCCC(=O)OC(C)C 7a_100016288707_100000760027 [0,2,0,0,0,0|0,0,2]=4 12432 B14R0.391 CC/C=C\CCSCCC(=O)OC(C)C 62a_100000760027_100015370543 [0,2,0,0,0,0|0,0,2]=4 12433 B14R0.391 CC/C=C\CCSCCC(=O)OC(C)C 62a_100015370543_100000760027 [0,2,0,0,0,0|0,0,2]=4 12434 B14R0.391 CCC#CCCOCCC(=O)OC(C)C 7a_100000036655_100000760027 [0,2,0,0,0,0|0,0,2]=4 12435 B14R0.391 CCC/C=C/COCCC(=O)OC(C)C 7a_100016278788_100000760027 [0,2,0,0,0,0|0,0,2]=4 12436 B14R0.391 CCCC#CCCOCC(=O)OC(C)C 34a_100000042726_100011215430 [0,2,0,0,0,0|0,0,2]=4 12437 B14R0.391 CCCC#CCCOCC(=O)OC(C)C 7a_100000042726_100011215430 [0,2,0,0,0,0|0,0,2]=4 12438 B14R0.391 CCCC#CCOCCC(=O)OC(C)C 7a_100000034806_100000760027 [0,2,0,0,0,0|0,0,2]=4 12439 B14R0.391 CCCC/C=C/COCC(=O)OC(C)C 34a_200016272032_100011215430 [0,2,0,0,0,0|0,0,2]=4 12440 B14R0.391 CCCC/C=C/COCC(=O)OC(C)C 7a_200016272032_100011215430 [0,2,0,0,0,0|0,0,2]=4 12441 B14R0.391 CCCCC#CCCCC(=O)CC(C)C 1458a_100000210554_200000047210 [0,2,0,0,0,0|1,0,1]=4 12442 B14R0.391 CCCCC#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000047210 [0,2,0,0,0,0|1,0,1]=4 12443 B14R0.391 CCCCC#CCOCC(=O)OC(C)C 34a_200000034558_100011215430 [0,2,0,0,0,0|0,0,2]=4 12444 B14R0.391 CCCCC#CCOCC(=O)OC(C)C 7a_200000034558_100011215430 [0,2,0,0,0,0|0,0,2]=4 12445 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)C 1458a_200015255902_100000210624 [0,2,0,0,0,0|1,0,1]=4 12446 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)O 1458a_200015255902_100011218427 [0,2,0,0,0,0|1,0,1]=4 12447 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 11a_100138425928_200015255902 [0,2,0,0,0,0|1,0,1]=4 12448 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 1626a_100138425928_200015255902 [0,2,0,0,0,0|1,0,1]=4 12449 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 240690a_100138425928_200015255902 [0,2,0,0,0,0|1,0,1]=4 12450 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 527a_100138425928_200015255902 [0,2,0,0,0,0|1,0,1]=4 12451 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)C 1458a_100020681715_100000210624 [0,2,0,0,0,0|1,0,1]=4 12452 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)O 1458a_100020681715_100011218427 [0,2,0,0,0,0|1,0,1]=4 12453 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020681715 [0,2,0,0,0,0|1,0,1]=4 12454 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020681715 [0,2,0,0,0,0|1,0,1]=4 12455 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020681715 [0,2,0,0,0,0|1,0,1]=4 12456 B14R0.391 CCCCCCCC=CC(=O)CC(C)C 1458a_200015332781_100000210624 [0,2,0,0,0,0|1,0,1]=4 12457 B14R0.391 CCCCCCCC=CC(=O)CC(C)O 1458a_200015332781_100011218427 [0,2,0,0,0,0|1,0,1]=4 12458 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015332781 [0,2,0,0,0,0|1,0,1]=4 12459 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015332781 [0,2,0,0,0,0|1,0,1]=4 12460 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015332781 [0,2,0,0,0,0|1,0,1]=4 12461 B14R0.391 CCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210670 [0,2,0,0,0,0|1,0,1]=4 12462 B14R0.391 CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210670 [0,2,0,0,0,0|1,0,1]=4 12463 B14R0.391 CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210670 [0,2,0,0,0,0|1,0,1]=4 12464 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210670 [0,2,0,0,0,0|1,0,0]=3 12465 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210558_100000210624 [0,2,0,0,0,0|1,0,0]=3 12466 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,2,0,0,0,0|1,0,0]=3 12467 B14R0.391 CCCCCCCCCC(=O)CC(F)F 1458a_100000210558_100011934356 [0,2,0,0,0,0|2,0,0]=4 12468 B14R0.391 CCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210670 [0,2,0,0,0,0|2,0,0]=4 12469 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,2,0,0,0,0|1,0,0]=3 12470 B14R0.391 CCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210670 [0,2,0,0,0,0|2,0,0]=4 12471 B14R0.391 CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210558 [0,2,0,0,0,0|1,0,0]=3 12472 B14R0.391 CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210558 [0,2,0,0,0,0|1,0,0]=3 12473 B14R0.391 CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210558 [0,2,0,0,0,0|1,0,0]=3 12474 B14R0.391 CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210558 [0,2,0,0,0,0|1,0,0]=3 12475 B14R0.391 CCCCCCCCCC(C)OC(C)C 34a_100011218016_100000210206 [0,2,0,0,0,0|1,0,1]=4 12476 B14R0.391 CCCCCCCCCC(C)OC(C)C 7a_100011218016_100000210206 [0,2,0,0,0,0|1,0,1]=4 12477 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 11a_100000229939_100000211388 [0,2,0,0,0,0|1,0,1]=4 12478 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 1626a_100000229939_100000211388 [0,2,0,0,0,0|1,0,1]=4 12479 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 240690a_100000229939_100000211388 [0,2,0,0,0,0|1,0,1]=4 12480 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 11a_100000229939_200042562850 [0,2,0,0,0,0|1,0,1]=4 12481 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 1626a_100000229939_200042562850 [0,2,0,0,0,0|1,0,1]=4 12482 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 240690a_100000229939_200042562850 [0,2,0,0,0,0|1,0,1]=4 12483 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 11a_100000229939_100025716642 [0,2,0,0,0,0|1,0,1]=4 12484 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 1626a_100000229939_100025716642 [0,2,0,0,0,0|1,0,1]=4 12485 B14R0.391 CCCCCCCCNC(=O)CC(C)C 11a_100000229939_100000210554 [0,2,0,0,0,0|1,0,0]=3 12486 B14R0.391 CCCCCCCCNC(=O)CC(C)C 1626a_100000229939_100000210554 [0,2,0,0,0,0|1,0,0]=3 12487 B14R0.391 CCCCCCCCNC(=O)CC(C)C 240690a_100000229939_100000210554 [0,2,0,0,0,0|1,0,0]=3 12488 B14R0.391 CCCCCCCCNC(=O)CC(C)C 527a_100000229939_100000210554 [0,2,0,0,0,0|1,0,0]=3 12489 B14R0.391 CCCCCCCCNC(=O)CN(C)C 11a_100000229939_100000750896 [0,2,0,0,0,0|2,0,0]=4 12490 B14R0.391 CCCCCCCCNC(=O)CN(C)C 240690a_100000229939_100000750896 [0,2,0,0,0,0|2,0,0]=4 12491 B14R0.391 CCCCCCCCNC(=O)CN(C)C 527a_100000229939_100000750896 [0,2,0,0,0,0|2,0,0]=4 12492 B14R0.391 CCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229939_100011933948 [0,2,0,0,0,0|1,0,0]=3 12493 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 11a_100000229939_200159257847 [0,2,0,0,0,0|2,0,0]=4 12494 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 1626a_100000229939_200159257847 [0,2,0,0,0,0|2,0,0]=4 12495 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 240690a_100000229939_200159257847 [0,2,0,0,0,0|2,0,0]=4 12496 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 527a_100000229939_200159257847 [0,2,0,0,0,0|2,0,0]=4 12497 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100000229939_100138425928 [0,2,0,0,0,0|1,0,0]=3 12498 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229939 [0,2,0,0,0,0|1,0,0]=3 12499 B14R0.391 CCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229939 [0,2,0,0,0,0|1,0,0]=3 12500 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100000229939_100138425928 [0,2,0,0,0,0|1,0,0]=3 12501 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229939 [0,2,0,0,0,0|1,0,0]=3 12502 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210681 [0,2,0,0,0,0|1,0,0]=3 12503 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000229938_100000183996 [0,2,0,0,0,0|1,0,0]=3 12504 B14R0.391 CCCCCCCNCC(=O)OC(C)C 2230a_100000229938_100011215430 [0,2,0,0,0,0|0,0,0]=2 12505 B14R0.391 CCCCCCCOCC(=O)NC(=O)C 7a_100000210272_100000183797 [0,2,0,0,0,0|1,0,1]=4 12506 B14R0.391 CCCCCCCOCC(=O)NC(C)C 34a_100000210272_100000183996 [0,2,0,0,0,0|1,0,0]=3 12507 B14R0.391 CCCCCCCOCC(=O)NC(C)C 7a_100000210272_100000183996 [0,2,0,0,0,0|1,0,0]=3 12508 B14R0.391 CCCCCCCOCC(=O)OC(C)C 34a_100000210272_100011215430 [0,2,0,0,0,0|0,0,0]=2 12509 B14R0.391 CCCCCCCOCC(=O)OC(C)C 7a_100000210272_100011215430 [0,2,0,0,0,0|0,0,0]=2 12510 B14R0.391 CCCCCCCSCC(=O)NC(=O)C 62a_100000210614_100000183797 [0,2,0,0,0,0|1,0,1]=4 12511 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210316 [0,2,0,0,0,0|1,0,0]=3 12512 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000210614_100000183996 [0,2,0,0,0,0|1,0,0]=3 12513 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100000210614_100011215430 [0,2,0,0,0,0|0,0,0]=2 12514 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210316 [0,2,0,0,0,0|0,0,0]=2 12515 B14R0.391 CCCCCCNCCC(=O)NC(C)C 2230a_100000210581_100000737564 [0,2,0,0,0,0|1,0,0]=3 12516 B14R0.391 CCCCCCNCCC(=O)OC(C)C 2230a_100000210581_100000760027 [0,2,0,0,0,0|0,0,0]=2 12517 B14R0.391 CCCCCCOCCC(=O)NC(C)C 7a_100000210259_100000737564 [0,2,0,0,0,0|1,0,0]=3 12518 B14R0.391 CCCCCCOCCC(=O)OC(C)C 7a_100000210259_100000760027 [0,2,0,0,0,0|0,0,0]=2 12519 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000210314_100000737564 [0,2,0,0,0,0|1,0,0]=3 12520 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210757 [0,2,0,0,0,0|1,0,0]=3 12521 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000210314_100000760027 [0,2,0,0,0,0|0,0,0]=2 12522 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210757 [0,2,0,0,0,0|0,0,0]=2 12523 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,2,0,0,0,0|1,0,0]=3 12524 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,2,0,0,0,0|1,0,0]=3 12525 B14R0.391 CCCCOCCCNC(=O)CC(C)C 1626a_200000211371_100000210554 [0,2,0,0,0,0|2,0,0]=4 12526 B14R0.391 CCCCOCCCNC(=O)CC(C)C 240690a_200000211371_100000210554 [0,2,0,0,0,0|2,0,0]=4 12527 B14R0.391 CCCCOCCCNC(=O)CC(C)C 527a_200000211371_100000210554 [0,2,0,0,0,0|2,0,0]=4 12528 B14R0.391 CCCCOCCCNC(=O)C[C@@H](C)O 240690a_200000211371_100011933948 [0,2,0,0,0,0|2,0,0]=4 12529 B14R0.391 CCCCOCCCNC(=O)NC(C)C 2708a_100138425928_200000211371 [0,2,0,0,0,0|2,0,0]=4 12530 B14R0.391 CCCCOCCCNC(=O)NC(C)C 2708a_200000211371_100138425928 [0,2,0,0,0,0|2,0,0]=4 12531 B14R0.391 CCCCOCCCNC(=O)NC(C)C 273464a_100138425928_200000211371 [0,2,0,0,0,0|2,0,0]=4 12532 B14R0.391 CCCCOCCCNC(=O)NC(C)C 512a_100138425928_200000211371 [0,2,0,0,0,0|2,0,0]=4 12533 B14R0.391 CCCCOCCCNC(=O)NC(C)C 512a_200000211371_100138425928 [0,2,0,0,0,0|2,0,0]=4 12534 B14R0.391 CCCCOCCNCC(=O)NC(C)C 2230a_100000168517_100000743108 [0,2,0,0,0,0|2,0,0]=4 12535 B14R0.391 CCCCOCCOCC(=O)CC(C)C 1458a_100011216887_100000210624 [0,2,0,0,0,0|2,0,0]=4 12536 B14R0.391 CCCCOCCOCC(=O)CC(C)O 1458a_100011216887_100011218427 [0,2,0,0,0,0|2,0,0]=4 12537 B14R0.391 CCCCOCCOCC(=O)NC(C)C 11a_100138425928_100011216887 [0,2,0,0,0,0|2,0,0]=4 12538 B14R0.391 CCCCOCCOCC(=O)NC(C)C 1626a_100138425928_100011216887 [0,2,0,0,0,0|2,0,0]=4 12539 B14R0.391 CCCCOCCOCC(=O)NC(C)C 240690a_100138425928_100011216887 [0,2,0,0,0,0|2,0,0]=4 12540 B14R0.391 CCCCOCCOCC(=O)NC(C)C 34a_100000210238_100000183996 [0,2,0,0,0,0|2,0,0]=4 12541 B14R0.391 CCCCOCCOCC(=O)NC(C)C 527a_100138425928_100011216887 [0,2,0,0,0,0|2,0,0]=4 12542 B14R0.391 CCCCOCCOCC(=O)NC(C)C 7a_100000210238_100000183996 [0,2,0,0,0,0|2,0,0]=4 12543 B14R0.391 CCCCOCCOCC(=O)OC(C)C 34a_100000210238_100011215430 [0,2,0,0,0,0|1,0,0]=3 12544 B14R0.391 CCCCOCCOCC(=O)OC(C)C 7a_100000210238_100011215430 [0,2,0,0,0,0|1,0,0]=3 12545 B14R0.391 CCCCOCCSCC(=O)NC(C)C 62a_100000183996_100000743108 [0,2,0,0,0,0|2,0,0]=4 12546 B14R0.391 CCCCOCCSCC(=O)NC(C)C 62a_100000743108_100000183996 [0,2,0,0,0,0|2,0,0]=4 12547 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100000743108_100011215430 [0,2,0,0,0,0|1,0,0]=3 12548 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100011215430_100000743108 [0,2,0,0,0,0|1,0,0]=3 12549 B14R0.391 CCCCOCSCCC(=O)NC(C)C 62a_100000737564_100011995733 [0,2,0,0,0,0|2,0,0]=4 12550 B14R0.391 CCCCOCSCCC(=O)NC(C)C 62a_100011995733_100000737564 [0,2,0,0,0,0|2,0,0]=4 12551 B14R0.391 CCCCOCSCCC(=O)OC(C)C 62a_100000760027_100011995733 [0,2,0,0,0,0|1,0,0]=3 12552 B14R0.391 CCCCOCSCCC(=O)OC(C)C 62a_100011995733_100000760027 [0,2,0,0,0,0|1,0,0]=3 12553 B14R0.391 CCCCOCSCOC(=O)OC(C)C 62a_100000003507_100011995733 [0,2,0,0,0,0|2,0,0]=4 12554 B14R0.391 CCCCOCSCOC(=O)OC(C)C 62a_100011995733_100000003507 [0,2,0,0,0,0|2,0,0]=4 12555 B14R0.391 CCCCSCCNCC(=O)NC(C)C 2230a_100025743550_100000183996 [0,2,0,0,0,0|2,0,0]=4 12556 B14R0.391 CCCCSCCNCC(=O)OC(C)C 2230a_100025743550_100011215430 [0,2,0,0,0,0|1,0,0]=3 12557 B14R0.391 CCCCSCCOCC(=O)NC(C)C 34a_200000230436_100000183996 [0,2,0,0,0,0|2,0,0]=4 12558 B14R0.391 CCCCSCCOCC(=O)NC(C)C 7a_200000230436_100000183996 [0,2,0,0,0,0|2,0,0]=4 12559 B14R0.391 CCCCSCCOCC(=O)OC(C)C 34a_200000230436_100011215430 [0,2,0,0,0,0|1,0,0]=3 12560 B14R0.391 CCCCSCCOCC(=O)OC(C)C 7a_200000230436_100011215430 [0,2,0,0,0,0|1,0,0]=3 12561 B14R0.391 CCCOCCCCCC(=O)OC(C)C 34a_100000210258_200010986244 [0,2,0,0,0,0|0,0,0]=2 12562 B14R0.391 CCCOCCCNCC(=O)NC(C)C 2230a_100011217757_100000183996 [0,2,0,0,0,0|2,0,0]=4 12563 B14R0.391 CCCOCCCNCC(=O)NC(C)C 34a_100011217757_100000183996 [0,2,0,0,0,0|2,0,0]=4 12564 B14R0.391 CCCOCCCNCC(=O)OC(C)C 2230a_100011217757_100011215430 [0,2,0,0,0,0|1,0,0]=3 12565 B14R0.391 CCCOCCCNCC(=O)OC(C)C 34a_100011217757_100011215430 [0,2,0,0,0,0|1,0,0]=3 12566 B14R0.391 CCCOCCNCCC(=O)NC(C)C 2230a_100161115042_100000737564 [0,2,0,0,0,0|2,0,0]=4 12567 B14R0.391 CCCOCCNCCC(=O)OC(C)C 2230a_100161115042_100000760027 [0,2,0,0,0,0|1,0,0]=3 12568 B14R0.391 CCCOCCOCCC(=O)NC(C)C 7a_100000752267_100000737564 [0,2,0,0,0,0|2,0,0]=4 12569 B14R0.391 CCCOCCOCCC(=O)OC(C)C 7a_100000752267_100000760027 [0,2,0,0,0,0|1,0,0]=3 12570 B14R0.391 CCCOCCSCCC(=O)NC(C)C 62a_100000737564_100011215938 [0,2,0,0,0,0|2,0,0]=4 12571 B14R0.391 CCCOCCSCCC(=O)NC(C)C 62a_100011215938_100000737564 [0,2,0,0,0,0|2,0,0]=4 12572 B14R0.391 CCCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215938 [0,2,0,0,0,0|1,0,0]=3 12573 B14R0.391 CCCOCCSCCC(=O)OC(C)C 62a_100011215938_100000760027 [0,2,0,0,0,0|1,0,0]=3 12574 B14R0.391 CCCOCCSCOC(=O)OC(C)C 62a_100000003507_100011215938 [0,2,0,0,0,0|2,0,0]=4 12575 B14R0.391 CCCOCCSCOC(=O)OC(C)C 62a_100011215938_100000003507 [0,2,0,0,0,0|2,0,0]=4 12576 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_100000210303_200010986244 [0,2,0,0,0,0|0,0,0]=2 12577 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210303 [0,2,0,0,0,0|0,0,0]=2 12578 B14R0.391 CCCSCCNCCC(=O)NC(C)C 2230a_100020603323_100000737564 [0,2,0,0,0,0|2,0,0]=4 12579 B14R0.391 CCCSCCNCCC(=O)OC(C)C 2230a_100020603323_100000760027 [0,2,0,0,0,0|1,0,0]=3 12580 B14R0.391 CCCSCCOCCC(=O)NC(C)C 7a_200000230433_100000737564 [0,2,0,0,0,0|2,0,0]=4 12581 B14R0.391 CCCSCCOCCC(=O)OC(C)C 7a_200000230433_100000760027 [0,2,0,0,0,0|1,0,0]=3 12582 B14R0.391 CCOCCCNCCC(=O)NC(C)C 2230a_100000210961_100000737564 [0,2,0,0,0,0|2,0,0]=4 12583 B14R0.391 CCOCCCNCCC(=O)OC(C)C 2230a_100000210961_100000760027 [0,2,0,0,0,0|1,0,0]=3 12584 B14R0.391 CCOCCCOCCC(=O)NC(C)C 7a_100000757476_100000737564 [0,2,0,0,0,0|2,0,0]=4 12585 B14R0.391 CCOCCCOCCC(=O)OC(C)C 7a_100000757476_100000760027 [0,2,0,0,0,0|1,0,0]=3 12586 B14R0.391 CCOCCCSCCC(=O)NC(C)C 62a_100000737564_100012232248 [0,2,0,0,0,0|2,0,0]=4 12587 B14R0.391 CCOCCCSCCC(=O)NC(C)C 62a_100012232248_100000737564 [0,2,0,0,0,0|2,0,0]=4 12588 B14R0.391 CCOCCCSCCC(=O)OC(C)C 62a_100000760027_100012232248 [0,2,0,0,0,0|1,0,0]=3 12589 B14R0.391 CCOCCCSCCC(=O)OC(C)C 62a_100012232248_100000760027 [0,2,0,0,0,0|1,0,0]=3 12590 B14R0.391 CCOCCCSCOC(=O)OC(C)C 62a_100000003507_100012232248 [0,2,0,0,0,0|2,0,0]=4 12591 B14R0.391 CCOCCCSCOC(=O)OC(C)C 62a_100012232248_100000003507 [0,2,0,0,0,0|2,0,0]=4 12592 B14R0.391 CCSCCCOCCC(=O)NC(C)C 7a_100011216438_100000737564 [0,2,0,0,0,0|2,0,0]=4 12593 B14R0.391 CCSCCCOCCC(=O)OC(C)C 7a_100011216438_100000760027 [0,2,0,0,0,0|1,0,0]=3 12594 B14R0.391 CN(C)CC(=O)CCCCCCCCO 1458a_100000750896_100000033203 [0,2,0,0,0,0|2,0,0]=4 12595 B14R0.391 CNCCCCCOCC(=O)NC(C)C 34a_100000722520_100000183996 [0,2,0,0,0,0|2,0,0]=4 12596 B14R0.391 CNCCCCCOCC(=O)OC(C)C 34a_100000722520_100011215430 [0,2,0,0,0,0|1,0,0]=3 12597 B14R0.391 CNCCOCCOCC(=O)OC(C)C 34a_100000228057_100011215430 [0,2,0,0,0,0|2,0,0]=4 12598 B14R0.391 COCCCCCNCC(=O)NC(C)C 2230a_100000747528_100000183996 [0,2,0,0,0,0|2,0,0]=4 12599 B14R0.391 COCCCCCNCC(=O)NC(C)C 34a_100000747528_100000183996 [0,2,0,0,0,0|2,0,0]=4 12600 B14R0.391 COCCCCCNCC(=O)OC(C)C 2230a_100000747528_100011215430 [0,2,0,0,0,0|1,0,0]=3 12601 B14R0.391 COCCCCCNCC(=O)OC(C)C 34a_100000747528_100011215430 [0,2,0,0,0,0|1,0,0]=3 12602 B14R0.391 COCCCCSCCC(=O)NC(C)C 62a_100000730899_100000737564 [0,2,0,0,0,0|2,0,0]=4 12603 B14R0.391 COCCCCSCCC(=O)NC(C)C 62a_100000737564_100000730899 [0,2,0,0,0,0|2,0,0]=4 12604 B14R0.391 COCCCCSCCC(=O)OC(C)C 62a_100000730899_100000760027 [0,2,0,0,0,0|1,0,0]=3 12605 B14R0.391 COCCCCSCCC(=O)OC(C)C 62a_100000760027_100000730899 [0,2,0,0,0,0|1,0,0]=3 12606 B14R0.391 COCCCCSCOC(=O)OC(C)C 62a_100000003507_100000730899 [0,2,0,0,0,0|2,0,0]=4 12607 B14R0.391 COCCCCSCOC(=O)OC(C)C 62a_100000730899_100000003507 [0,2,0,0,0,0|2,0,0]=4 12608 B14R0.391 COCCOCCNCC(=O)OC(C)C 2230a_100000745349_100011215430 [0,2,0,0,0,0|2,0,0]=4 12609 B14R0.391 COCCOCCNCC(=O)OC(C)C 34a_100000745349_100011215430 [0,2,0,0,0,0|2,0,0]=4 12610 B14R0.391 COCCOCCOCC(=O)OC(C)C 34a_100011215163_100011215430 [0,2,0,0,0,0|2,0,0]=4 12611 B14R0.391 COCCOCCOCC(=O)OC(C)C 7a_100011215163_100011215430 [0,2,0,0,0,0|2,0,0]=4 12612 B14R0.391 COCCOCCSCC(=O)OC(C)C 62a_100000695917_100011215430 [0,2,0,0,0,0|2,0,0]=4 12613 B14R0.391 COCCOCCSCC(=O)OC(C)C 62a_100011215430_100000695917 [0,2,0,0,0,0|2,0,0]=4 12614 B14R0.391 COCCOCSCCC(=O)OC(C)C 62a_100000231047_100000760027 [0,2,0,0,0,0|2,0,0]=4 12615 B14R0.391 COCCOCSCCC(=O)OC(C)C 62a_100000760027_100000231047 [0,2,0,0,0,0|2,0,0]=4 12616 B14R0.391 COCSCCCCCC(=O)OC(C)C 62a_100000766300_200010986244 [0,2,0,0,0,0|1,0,0]=3 12617 B14R0.391 COCSCCCCCC(=O)OC(C)C 62a_200010986244_100000766300 [0,2,0,0,0,0|1,0,0]=3 12618 B14R0.391 CSCCCCOCCC(=O)NC(C)C 7a_100011217163_100000737564 [0,2,0,0,0,0|2,0,0]=4 12619 B14R0.391 CSCCCCOCCC(=O)OC(C)C 7a_100011217163_100000760027 [0,2,0,0,0,0|1,0,0]=3 12620 B14R0.391 CSCSCCCCCC(=O)OC(C)C 62a_100011218213_200010986244 [0,2,0,0,0,0|1,0,0]=3 12621 B14R0.391 CSCSCCCCCC(=O)OC(C)C 62a_200010986244_100011218213 [0,2,0,0,0,0|1,0,0]=3 12622 B14R0.391 C[C@@H](O)CC(=O)CCCCCCCCO 1458a_100011933948_100000033203 [0,2,0,0,0,0|1,0,0]=3 12623 B14R0.391 C[C@@H](O)CC(=O)NCCCCCCCO 240690a_100011996573_100011933948 [0,2,0,0,0,0|2,0,0]=4 12624 B14R0.391 C[S+](C)CC(=O)CCCCCCCCO 1458a_200159257847_100000033203 [0,2,0,0,0,0|2,0,0]=4 12625 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,2,0,0,0,0|1,0,0]=3 12626 B14R0.393 C#CCCCCCCCCC(=O)CCF 1458a_100000029693_100011217306 [0,2,0,0,0,0|2,0,0]=4 12627 B14R0.393 C#CCCCCCCCCC(=O)CCO 1458a_100000029693_100000211926 [0,2,0,0,0,0|2,0,0]=4 12628 B14R0.393 C#CCCCCCCCCC(=O)NCC 11a_100015525214_100000029693 [0,2,0,0,0,0|1,0,0]=3 12629 B14R0.393 C#CCCCCCCCCC(=O)NCC 240690a_100015525214_100000029693 [0,2,0,0,0,0|1,0,0]=3 12630 B14R0.393 C#CCCCCCCCCC(=O)NCC 527a_100015525214_100000029693 [0,2,0,0,0,0|1,0,0]=3 12631 B14R0.393 C#CCCCCCCCCC(=O)NNC 22a_100016993582_100000029693 [0,2,0,0,0,0|2,0,0]=4 12632 B14R0.393 C#CCCCCCCNCC(=O)NCC 2230a_100016988866_100012276617 [0,2,0,0,0,0|1,0,1]=4 12633 B14R0.393 C#CCCCCCCOCC(=O)CCC 7a_100011217361_100000747444 [0,2,0,0,0,0|1,0,1]=4 12634 B14R0.393 C#CCCCCCCOCC(=O)NCC 34a_100011217361_100000183381 [0,2,0,0,0,0|1,0,1]=4 12635 B14R0.393 C#CCCCCCCOCC(=O)NCC 7a_100011217361_100000183381 [0,2,0,0,0,0|1,0,1]=4 12636 B14R0.393 C#CCCCCCCOCC(=O)OCC 34a_100011217361_100000188475 [0,2,0,0,0,0|0,0,1]=3 12637 B14R0.393 C#CCCCCCCOCC(=O)OCC 7a_100011217361_100000188475 [0,2,0,0,0,0|0,0,1]=3 12638 B14R0.393 C#CCCCCCCSCC(=O)CCC 62a_100000747444_100012276617 [0,2,0,0,0,0|1,0,1]=4 12639 B14R0.393 C#CCCCCCCSCC(=O)CCC 62a_100012276617_100000747444 [0,2,0,0,0,0|1,0,1]=4 12640 B14R0.393 C#CCCCCCCSCC(=O)NCC 62a_100000183381_100012276617 [0,2,0,0,0,0|1,0,1]=4 12641 B14R0.393 C#CCCCCCCSCC(=O)NCC 62a_100012276617_100000183381 [0,2,0,0,0,0|1,0,1]=4 12642 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100000188475_100012276617 [0,2,0,0,0,0|0,0,1]=3 12643 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100012276617_100000188475 [0,2,0,0,0,0|0,0,1]=3 12644 B14R0.393 C#CCCCCCNCCC(=O)NCC 34a_100025743525_100012094781 [0,2,0,0,0,0|1,0,1]=4 12645 B14R0.393 C#CCCCCCOCCC(=O)NCC 7a_100000766912_100000737597 [0,2,0,0,0,0|1,0,1]=4 12646 B14R0.393 C#CCCCCCOCCC(=O)OCC 34a_100000766912_100000765890 [0,2,0,0,0,0|0,0,1]=3 12647 B14R0.393 C#CCCCCCOCCC(=O)OCC 7a_100000766912_100011206558 [0,2,0,0,0,0|0,0,1]=3 12648 B14R0.393 C#CCCCCCSCCC(=O)NCC 62a_100000737597_100012094781 [0,2,0,0,0,0|1,0,1]=4 12649 B14R0.393 C#CCCCCCSCCC(=O)NCC 62a_100012094781_100000737597 [0,2,0,0,0,0|1,0,1]=4 12650 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100000765890_100012094781 [0,2,0,0,0,0|0,0,1]=3 12651 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100012094781_100000765890 [0,2,0,0,0,0|0,0,1]=3 12652 B14R0.393 C#CCCCCCSCOC(=O)OCC 62a_100012094781_100000075025 [0,2,0,0,0,0|0,0,2]=4 12653 B14R0.393 C#CCCCCNCCCC(=O)OCC 2230a_100000706060_100009991533 [0,2,0,0,0,0|0,0,1]=3 12654 B14R0.393 C#CCCCCNCCCC(=O)OCC 34a_100000706060_100009991533 [0,2,0,0,0,0|0,0,1]=3 12655 B14R0.393 C#CCCCCOCCCC(=O)OCC 34a_100000766709_100009991533 [0,2,0,0,0,0|0,0,1]=3 12656 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100000766709_100011215271 [0,2,0,0,0,0|0,0,1]=3 12657 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100012001163_100010269958 [0,2,0,0,0,0|0,0,1]=3 12658 B14R0.393 C#CCCCCOCCNC(=O)OCC 34a_100000158857_100010269958 [0,2,0,0,0,0|0,0,2]=4 12659 B14R0.393 C#CCCCCOCCNC(=O)OCC 7a_100000766709_200011445536 [0,2,0,0,0,0|0,0,2]=4 12660 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100009991533_100010269958 [0,2,0,0,0,0|0,0,1]=3 12661 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100010269958_100009991533 [0,2,0,0,0,0|0,0,1]=3 12662 B14R0.393 C#CCCCCSCCNC(=O)OCC 62a_100010269958_200011445536 [0,2,0,0,0,0|0,0,2]=4 12663 B14R0.393 C#CCCCNCCCCC(=O)OCC 34a_100000718082_100000750268 [0,2,0,0,0,0|0,0,1]=3 12664 B14R0.393 C#CCCCNCCOCC(=O)OCC 34a_100000718082_100000088970 [0,2,0,0,0,0|0,0,2]=4 12665 B14R0.393 C#CCCCOCCCCC(=O)OCC 34a_100000215630_100000750268 [0,2,0,0,0,0|0,0,1]=3 12666 B14R0.393 C#CCCCOCCCCC(=O)OCC 7a_100000215630_100000750268 [0,2,0,0,0,0|0,0,1]=3 12667 B14R0.393 C#CCCCOCCOCC(=O)OCC 34a_100000215630_100000088970 [0,2,0,0,0,0|0,0,2]=4 12668 B14R0.393 C#CCCCOCCOCC(=O)OCC 7a_100000215630_100000088970 [0,2,0,0,0,0|0,0,2]=4 12669 B14R0.393 C#CCCCOCCSCC(=O)OCC 7a_200000230590_100011215417 [0,2,0,0,0,0|0,0,2]=4 12670 B14R0.393 C#CCCCSCCCCC(=O)OCC 62a_100000750268_100011215417 [0,2,0,0,0,0|0,0,1]=3 12671 B14R0.393 C#CCCCSCCCCC(=O)OCC 62a_100011215417_100000750268 [0,2,0,0,0,0|0,0,1]=3 12672 B14R0.393 C#CCCCSCCOCC(=O)OCC 62a_100000088970_100011215417 [0,2,0,0,0,0|0,0,2]=4 12673 B14R0.393 C#CCCCSCCOCC(=O)OCC 62a_100011215417_100000088970 [0,2,0,0,0,0|0,0,2]=4 12674 B14R0.393 C#CCCNCCCCCC(=O)OCC 34a_100000755551_100000755133 [0,2,0,0,0,0|0,0,1]=3 12675 B14R0.393 C#CCCNCCCOCC(=O)OCC 34a_100000755551_100009893628 [0,2,0,0,0,0|0,0,2]=4 12676 B14R0.393 C#CCCOCCCCCC(=O)OCC 34a_100011215631_100000755133 [0,2,0,0,0,0|0,0,1]=3 12677 B14R0.393 C#CCCOCCCCCC(=O)OCC 7a_100011214988_100000688953 [0,2,0,0,0,0|0,0,1]=3 12678 B14R0.393 C#CCCOCCCOCC(=O)OCC 34a_100011215631_100009893628 [0,2,0,0,0,0|0,0,2]=4 12679 B14R0.393 C#CCCSCCCCCC(=O)OCC 62a_100000688953_100000755133 [0,2,0,0,0,0|0,0,1]=3 12680 B14R0.393 C#CCCSCCCCCC(=O)OCC 62a_100000755133_100000688953 [0,2,0,0,0,0|0,0,1]=3 12681 B14R0.393 C#CCCSCCCOCC(=O)OCC 62a_100000688953_100009893628 [0,2,0,0,0,0|0,0,2]=4 12682 B14R0.393 C#CCCSCCCOCC(=O)OCC 62a_100009893628_100000688953 [0,2,0,0,0,0|0,0,2]=4 12683 B14R0.393 C#CCNCCCCCCC(=O)OCC 34a_100000212058_100009814379 [0,2,0,0,0,0|0,0,1]=3 12684 B14R0.393 C#CCOCCCCCCC(=O)OCC 34a_100000210247_100009814379 [0,2,0,0,0,0|0,0,1]=3 12685 B14R0.393 C#CCOCCNCCCC(=O)OCC 2230a_100000700922_100009991533 [0,2,0,0,0,0|0,0,2]=4 12686 B14R0.393 C#CCOCCNCCCC(=O)OCC 34a_100000700922_100009991533 [0,2,0,0,0,0|0,0,2]=4 12687 B14R0.393 C#CCOCCOCCCC(=O)OCC 34a_100000054580_100009991533 [0,2,0,0,0,0|0,0,2]=4 12688 B14R0.393 C#CCOCCOCCCC(=O)OCC 7a_100000054580_100011215271 [0,2,0,0,0,0|0,0,2]=4 12689 B14R0.393 C#CCOCCOCCCC(=O)OCC 7a_100012001163_100010402529 [0,2,0,0,0,0|0,0,2]=4 12690 B14R0.393 C#CCOCCSCCCC(=O)OCC 62a_100009991533_100010402529 [0,2,0,0,0,0|0,0,2]=4 12691 B14R0.393 C#CCOCCSCCCC(=O)OCC 62a_100010402529_100009991533 [0,2,0,0,0,0|0,0,2]=4 12692 B14R0.393 C#CCSCCCCCCC(=O)OCC 62a_100000038162_100009814379 [0,2,0,0,0,0|0,0,1]=3 12693 B14R0.393 C/C=C/CCOCCCCC(=O)OCC 34a_100016278192_100000750268 [0,2,0,0,0,0|0,0,1]=3 12694 B14R0.393 C/C=C/CCOCCOCC(=O)OCC 34a_100016278192_100000088970 [0,2,0,0,0,0|0,0,2]=4 12695 B14R0.393 C/C=C/COCCCCCC(=O)OCC 34a_100016270725_100000755133 [0,2,0,0,0,0|0,0,1]=3 12696 B14R0.393 C/C=C/COCCCCCC(=O)OCC 7a_100011214988_100102629194 [0,2,0,0,0,0|0,0,1]=3 12697 B14R0.393 C/C=C/COCCCOCC(=O)OCC 34a_100016270725_100009893628 [0,2,0,0,0,0|0,0,2]=4 12698 B14R0.393 C/C=C/CSCCCCCC(=O)OCC 62a_100000755133_100102629194 [0,2,0,0,0,0|0,0,1]=3 12699 B14R0.393 C/C=C/CSCCCCCC(=O)OCC 62a_100102629194_100000755133 [0,2,0,0,0,0|0,0,1]=3 12700 B14R0.393 C/C=C/CSCCCOCC(=O)OCC 62a_100009893628_100102629194 [0,2,0,0,0,0|0,0,2]=4 12701 B14R0.393 C/C=C/CSCCCOCC(=O)OCC 62a_100102629194_100009893628 [0,2,0,0,0,0|0,0,2]=4 12702 B14R0.393 C=CCCCCCCCCC(=O)C#CC 1458a_100000763181_100011933949 [0,2,0,0,0,0|1,0,1]=4 12703 B14R0.393 C=CCCCCCCCCC(=O)C=CC 1458a_100000210699_100011933949 [0,2,0,0,0,0|1,0,1]=4 12704 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,2,0,0,0,0|1,0,0]=3 12705 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,2,0,0,0,0|1,0,0]=3 12706 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,2,0,0,0,0|2,0,0]=4 12707 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,2,0,0,0,0|2,0,0]=4 12708 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,2,0,0,0,0|2,0,0]=4 12709 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,2,0,0,0,0|2,0,0]=4 12710 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,2,0,0,0,0|2,0,0]=4 12711 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,2,0,0,0,0|1,0,0]=3 12712 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,2,0,0,0,0|1,0,0]=3 12713 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,2,0,0,0,0|1,0,0]=3 12714 B14R0.393 C=CCCCCCCCCC(=O)NNC 22a_100016993582_100000211349 [0,2,0,0,0,0|2,0,0]=4 12715 B14R0.393 C=CCCCCCCNCC(=O)NCC 2230a_100016988866_100011215473 [0,2,0,0,0,0|1,0,1]=4 12716 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,2,0,0,0,0|1,0,1]=4 12717 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [0,2,0,0,0,0|1,0,1]=4 12718 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [0,2,0,0,0,0|1,0,1]=4 12719 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,2,0,0,0,0|0,0,1]=3 12720 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,2,0,0,0,0|0,0,1]=3 12721 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,2,0,0,0,0|1,0,1]=4 12722 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,2,0,0,0,0|1,0,1]=4 12723 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100000183381_100011215473 [0,2,0,0,0,0|1,0,1]=4 12724 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100011215473_100000183381 [0,2,0,0,0,0|1,0,1]=4 12725 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [0,2,0,0,0,0|0,0,1]=3 12726 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [0,2,0,0,0,0|0,0,1]=3 12727 B14R0.393 C=CCCCCCNCCC(=O)NCC 34a_100025743525_100000700193 [0,2,0,0,0,0|1,0,1]=4 12728 B14R0.393 C=CCCCCCOCCC(=O)NCC 7a_100011216702_100000737597 [0,2,0,0,0,0|1,0,1]=4 12729 B14R0.393 C=CCCCCCOCCC(=O)OCC 34a_100011216702_100000765890 [0,2,0,0,0,0|0,0,1]=3 12730 B14R0.393 C=CCCCCCOCCC(=O)OCC 7a_100011216702_100011206558 [0,2,0,0,0,0|0,0,1]=3 12731 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000700193_100000737597 [0,2,0,0,0,0|1,0,1]=4 12732 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000737597_100000700193 [0,2,0,0,0,0|1,0,1]=4 12733 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000700193_100000765890 [0,2,0,0,0,0|0,0,1]=3 12734 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000765890_100000700193 [0,2,0,0,0,0|0,0,1]=3 12735 B14R0.393 C=CCCCCCSCOC(=O)OCC 62a_100000700193_100000075025 [0,2,0,0,0,0|0,0,2]=4 12736 B14R0.393 C=CCCCCNCCCC(=O)OCC 2230a_100000703577_100009991533 [0,2,0,0,0,0|0,0,1]=3 12737 B14R0.393 C=CCCCCNCCCC(=O)OCC 34a_100000703577_100009991533 [0,2,0,0,0,0|0,0,1]=3 12738 B14R0.393 C=CCCCCOCCCC(=O)OCC 34a_100000766645_100009991533 [0,2,0,0,0,0|0,0,1]=3 12739 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100000766645_100011215271 [0,2,0,0,0,0|0,0,1]=3 12740 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100012001163_100011215482 [0,2,0,0,0,0|0,0,1]=3 12741 B14R0.393 C=CCCCCOCCNC(=O)OCC 34a_100000158857_100011215482 [0,2,0,0,0,0|0,0,2]=4 12742 B14R0.393 C=CCCCCOCCNC(=O)OCC 7a_100000766645_200011445536 [0,2,0,0,0,0|0,0,2]=4 12743 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100009991533_100011215482 [0,2,0,0,0,0|0,0,1]=3 12744 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100011215482_100009991533 [0,2,0,0,0,0|0,0,1]=3 12745 B14R0.393 C=CCCCCSCCNC(=O)OCC 62a_100011215482_200011445536 [0,2,0,0,0,0|0,0,2]=4 12746 B14R0.393 C=CCCCNCCCCC(=O)OCC 2230a_100000700776_100000750268 [0,2,0,0,0,0|0,0,1]=3 12747 B14R0.393 C=CCCCNCCCCC(=O)OCC 34a_100000700776_100000750268 [0,2,0,0,0,0|0,0,1]=3 12748 B14R0.393 C=CCCCNCCOCC(=O)OCC 2230a_100000700776_100000088970 [0,2,0,0,0,0|0,0,2]=4 12749 B14R0.393 C=CCCCNCCOCC(=O)OCC 34a_100000700776_100000088970 [0,2,0,0,0,0|0,0,2]=4 12750 B14R0.393 C=CCCCOCCCCC(=O)OCC 34a_100000758997_100000750268 [0,2,0,0,0,0|0,0,1]=3 12751 B14R0.393 C=CCCCOCCCCC(=O)OCC 7a_100000758997_100000750268 [0,2,0,0,0,0|0,0,1]=3 12752 B14R0.393 C=CCCCOCCOCC(=O)OCC 34a_100000758997_100000088970 [0,2,0,0,0,0|0,0,2]=4 12753 B14R0.393 C=CCCCOCCOCC(=O)OCC 7a_100000758997_100000088970 [0,2,0,0,0,0|0,0,2]=4 12754 B14R0.393 C=CCCCOCCSCC(=O)OCC 7a_200000230590_100000757094 [0,2,0,0,0,0|0,0,2]=4 12755 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100000750268_100000757094 [0,2,0,0,0,0|0,0,1]=3 12756 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100011713584_100000750268 [0,2,0,0,0,0|0,0,1]=3 12757 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100000088970_100000757094 [0,2,0,0,0,0|0,0,2]=4 12758 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100011713584_100000088970 [0,2,0,0,0,0|0,0,2]=4 12759 B14R0.393 C=CCCNCCCCCC(=O)OCC 2230a_100015191253_100000755133 [0,2,0,0,0,0|0,0,1]=3 12760 B14R0.393 C=CCCNCCCOCC(=O)OCC 2230a_100015191253_100009893628 [0,2,0,0,0,0|0,0,2]=4 12761 B14R0.393 C=CCCOCCCCCC(=O)OCC 34a_100011205117_100000755133 [0,2,0,0,0,0|0,0,1]=3 12762 B14R0.393 C=CCCOCCCCCC(=O)OCC 7a_100011214988_100000754431 [0,2,0,0,0,0|0,0,1]=3 12763 B14R0.393 C=CCCOCCCOCC(=O)OCC 34a_100011205117_100009893628 [0,2,0,0,0,0|0,0,2]=4 12764 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000754431_100000755133 [0,2,0,0,0,0|0,0,1]=3 12765 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000755133_100000754431 [0,2,0,0,0,0|0,0,1]=3 12766 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100000754431_100009893628 [0,2,0,0,0,0|0,0,2]=4 12767 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100009893628_100000754431 [0,2,0,0,0,0|0,0,2]=4 12768 B14R0.393 C=CCNCCCCCCC(=O)OCC 2230a_100020586998_100009814379 [0,2,0,0,0,0|0,0,1]=3 12769 B14R0.393 C=CCOCCCCCCC(=O)OCC 34a_200000210373_100009814379 [0,2,0,0,0,0|0,0,1]=3 12770 B14R0.393 C=CCOCCOCCCC(=O)OCC 34a_100000037705_100009991533 [0,2,0,0,0,0|0,0,2]=4 12771 B14R0.393 C=CCOCCOCCCC(=O)OCC 7a_100000037705_100011215271 [0,2,0,0,0,0|0,0,2]=4 12772 B14R0.393 C=CCSCCCCCCC(=O)OCC 62a_100000210623_100009814379 [0,2,0,0,0,0|0,0,1]=3 12773 B14R0.393 C=COC(=O)CNCCCCCCCC 2230a_100000229939_100000036128 [0,2,0,0,0,0|0,0,2]=4 12774 B14R0.393 C=COC(=O)CNCCCCCCCC 34a_100000229939_100000036128 [0,2,0,0,0,0|0,0,2]=4 12775 B14R0.393 C=COC(=O)CNCCCCCCCO 2230a_100011996573_100000036128 [0,2,0,0,0,0|0,0,2]=4 12776 B14R0.393 C=COC(=O)CNCCCCCCCO 34a_100011996573_100000036128 [0,2,0,0,0,0|0,0,2]=4 12777 B14R0.393 C=COC(=O)CNCCCOCCCC 2230a_200000211371_100000036128 [0,2,0,0,0,0|0,0,2]=4 12778 B14R0.393 C=COC(=O)CNCCCOCCCC 34a_200000211371_100000036128 [0,2,0,0,0,0|0,0,2]=4 12779 B14R0.393 C=COC(=O)COCCCCCCCBr 34a_100000760002_100000036128 [0,2,0,0,0,0|0,0,2]=4 12780 B14R0.393 C=COC(=O)COCCCCCCCC 34a_100000210232_100000036128 [0,2,0,0,0,0|0,0,2]=4 12781 B14R0.393 C=COC(=O)COCCCCCCCN 34a_100011996573_100000036128 [0,2,0,0,0,0|0,0,2]=4 12782 B14R0.393 C=COC(=O)COCCCCCCOC 34a_200012092642_100000036128 [0,2,0,0,0,0|0,0,2]=4 12783 B14R0.393 C=COC(=O)COCCCOCCCC 34a_200011215613_100000036128 [0,2,0,0,0,0|0,0,2]=4 12784 B14R0.393 C=COC(=O)COCCNCCCCC 34a_100000224656_100000036128 [0,2,0,0,0,0|0,0,2]=4 12785 B14R0.393 C=COC(=O)COCCOCCCCC 34a_100011215259_100000036128 [0,2,0,0,0,0|0,0,2]=4 12786 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000036128_100000210317 [0,2,0,0,0,0|0,0,2]=4 12787 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000210759_100000036128 [0,2,0,0,0,0|0,0,2]=4 12788 B14R0.393 C=COC(=O)CSCCCCCCCO 62a_100000036128_100000760002 [0,2,0,0,0,0|0,0,2]=4 12789 B14R0.393 C=COC(=O)CSCCCCCCCO 62a_100000760002_100000036128 [0,2,0,0,0,0|0,0,2]=4 12790 B14R0.393 C=COC(=O)CSCCCCCCOC 62a_100000036128_100011998445 [0,2,0,0,0,0|0,0,2]=4 12791 B14R0.393 C=COC(=O)CSCCCCCCOC 62a_100011998445_100000036128 [0,2,0,0,0,0|0,0,2]=4 12792 B14R0.393 C=COCCCCOCCC(=O)OCC 34a_100000031558_100000765890 [0,2,0,0,0,0|0,0,2]=4 12793 B14R0.393 C=COCCCCOCCC(=O)OCC 7a_100000031558_100011206558 [0,2,0,0,0,0|0,0,2]=4 12794 B14R0.393 C=COCCCNCCCC(=O)OCC 2230a_100000210767_100009991533 [0,2,0,0,0,0|0,0,2]=4 12795 B14R0.393 C=COCCCNCCCC(=O)OCC 34a_100000210767_100009991533 [0,2,0,0,0,0|0,0,2]=4 12796 B14R0.393 C=COCCOCCCCC(=O)OCC 34a_100000033082_100000750268 [0,2,0,0,0,0|0,0,2]=4 12797 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000039644_100000750268 [0,2,0,0,0,0|0,0,2]=4 12798 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000750268_100000039644 [0,2,0,0,0,0|0,0,2]=4 12799 B14R0.393 CC#CC(=O)CCCCCCC#CCC 1458a_100000763181_200000036426 [0,2,0,0,0,0|1,0,1]=4 12800 B14R0.393 CC#CC(=O)CCCCCCCCCC 1458a_100000763181_100000210319 [0,2,0,0,0,0|1,0,1]=4 12801 B14R0.393 CC#CC(=O)CCCCCCCCCO 1458a_100000763181_100009813782 [0,2,0,0,0,0|1,0,1]=4 12802 B14R0.393 CC#CCCCCCCCC(=O)CCC 1458a_100000066323_100000210303 [0,2,0,0,0,0|1,0,0]=3 12803 B14R0.393 CC#CCCCCCCCC(=O)CCF 1458a_100000066323_100011217306 [0,2,0,0,0,0|2,0,0]=4 12804 B14R0.393 CC#CCCCCCCCC(=O)CCO 1458a_100000066323_100000211926 [0,2,0,0,0,0|2,0,0]=4 12805 B14R0.393 CC#CCCCCCCCC(=O)NCC 11a_100015525214_100000066323 [0,2,0,0,0,0|1,0,0]=3 12806 B14R0.393 CC#CCCCCCCCC(=O)NCC 240690a_100015525214_100000066323 [0,2,0,0,0,0|1,0,0]=3 12807 B14R0.393 CC#CCCCCCCCC(=O)NCC 527a_100015525214_100000066323 [0,2,0,0,0,0|1,0,0]=3 12808 B14R0.393 CC#CCCOCCCCC(=O)OCC 34a_100000750427_100000750268 [0,2,0,0,0,0|0,0,1]=3 12809 B14R0.393 CC#CCCOCCOCC(=O)OCC 34a_100000750427_100000088970 [0,2,0,0,0,0|0,0,2]=4 12810 B14R0.393 CC#CCNCCCCCC(=O)OCC 2230a_100000685387_100000755133 [0,2,0,0,0,0|0,0,1]=3 12811 B14R0.393 CC#CCNCCCCCC(=O)OCC 34a_100000685387_100000755133 [0,2,0,0,0,0|0,0,1]=3 12812 B14R0.393 CC#CCNCCCOCC(=O)OCC 2230a_100000685387_100009893628 [0,2,0,0,0,0|0,0,2]=4 12813 B14R0.393 CC#CCNCCCOCC(=O)OCC 34a_100000685387_100009893628 [0,2,0,0,0,0|0,0,2]=4 12814 B14R0.393 CC#CCOCCCCCC(=O)OCC 34a_100000761923_100000755133 [0,2,0,0,0,0|0,0,1]=3 12815 B14R0.393 CC#CCOCCCCCC(=O)OCC 7a_100011214988_100000748600 [0,2,0,0,0,0|0,0,1]=3 12816 B14R0.393 CC#CCOCCCOCC(=O)OCC 34a_100000761923_100009893628 [0,2,0,0,0,0|0,0,2]=4 12817 B14R0.393 CC#CCSCCCCCC(=O)OCC 62a_100000748600_100000755133 [0,2,0,0,0,0|0,0,1]=3 12818 B14R0.393 CC#CCSCCCCCC(=O)OCC 62a_100000755133_100000748600 [0,2,0,0,0,0|0,0,1]=3 12819 B14R0.393 CC#CCSCCCOCC(=O)OCC 62a_100000748600_100009893628 [0,2,0,0,0,0|0,0,2]=4 12820 B14R0.393 CC#CCSCCCOCC(=O)OCC 62a_100009893628_100000748600 [0,2,0,0,0,0|0,0,2]=4 12821 B14R0.393 CC/C=C/CCCOCCC(=O)NCC 7a_100016287902_100000737597 [0,2,0,0,0,0|1,0,1]=4 12822 B14R0.393 CC/C=C/CCCOCCC(=O)OCC 34a_100016287902_100000765890 [0,2,0,0,0,0|0,0,1]=3 12823 B14R0.393 CC/C=C/CCCOCCC(=O)OCC 7a_100016287902_100011206558 [0,2,0,0,0,0|0,0,1]=3 12824 B14R0.393 CC/C=C\CCCCOCC(=O)CCC 7a_100016287862_100000747444 [0,2,0,0,0,0|1,0,1]=4 12825 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 34a_100016287862_100000183381 [0,2,0,0,0,0|1,0,1]=4 12826 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 7a_100016287862_100000183381 [0,2,0,0,0,0|1,0,1]=4 12827 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 34a_100016287862_100000188475 [0,2,0,0,0,0|0,0,1]=3 12828 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 7a_100016287862_100000188475 [0,2,0,0,0,0|0,0,1]=3 12829 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 34a_100016288707_100009991533 [0,2,0,0,0,0|0,0,1]=3 12830 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 7a_100012001163_100015370543 [0,2,0,0,0,0|0,0,1]=3 12831 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 7a_100016288707_100011215271 [0,2,0,0,0,0|0,0,1]=3 12832 B14R0.393 CC/C=C\CCOCCNC(=O)OCC 34a_100000158857_100015370543 [0,2,0,0,0,0|0,0,2]=4 12833 B14R0.393 CC/C=C\CCOCCNC(=O)OCC 7a_100016288707_200011445536 [0,2,0,0,0,0|0,0,2]=4 12834 B14R0.393 CC/C=C\CCSCCCC(=O)OCC 62a_100009991533_100015370543 [0,2,0,0,0,0|0,0,1]=3 12835 B14R0.393 CC/C=C\CCSCCCC(=O)OCC 62a_100015370543_100009991533 [0,2,0,0,0,0|0,0,1]=3 12836 B14R0.393 CC/C=C\CCSCCNC(=O)OCC 62a_100015370543_200011445536 [0,2,0,0,0,0|0,0,2]=4 12837 B14R0.393 CC/C=C\COCCCCC(=O)OCC 34a_100016268518_100000750268 [0,2,0,0,0,0|0,0,1]=3 12838 B14R0.393 CC/C=C\COCCOCC(=O)OCC 34a_100016268518_100000088970 [0,2,0,0,0,0|0,0,2]=4 12839 B14R0.393 CC/C=C\COCCSCC(=O)OCC 7a_200000230590_100103147603 [0,2,0,0,0,0|0,0,2]=4 12840 B14R0.393 CC/C=C\CSCCCCC(=O)OCC 62a_100000750268_100103147603 [0,2,0,0,0,0|0,0,1]=3 12841 B14R0.393 CC/C=C\CSCCCCC(=O)OCC 62a_100103147603_100000750268 [0,2,0,0,0,0|0,0,1]=3 12842 B14R0.393 CC/C=C\CSCCOCC(=O)OCC 62a_100000088970_100103147603 [0,2,0,0,0,0|0,0,2]=4 12843 B14R0.393 CC/C=C\CSCCOCC(=O)OCC 62a_100103147603_100000088970 [0,2,0,0,0,0|0,0,2]=4 12844 B14R0.393 CC=C=CCCOCCCC(=O)OCC 34a_100011020354_100009991533 [0,2,0,0,0,0|0,0,2]=4 12845 B14R0.393 CC=CC(=O)CCCCCCC#CCC 1458a_100000210699_200000036426 [0,2,0,0,0,0|1,0,1]=4 12846 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,2,0,0,0,0|1,0,1]=4 12847 B14R0.393 CC=CC(=O)CCCCCCCCCO 1458a_100000210699_100009813782 [0,2,0,0,0,0|1,0,1]=4 12848 B14R0.393 CC=CC(=O)NCCCCCCCCC 11a_100000212291_100000210699 [0,2,0,0,0,0|1,0,1]=4 12849 B14R0.393 CC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000210699 [0,2,0,0,0,0|1,0,1]=4 12850 B14R0.393 CC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000210699 [0,2,0,0,0,0|1,0,1]=4 12851 B14R0.393 CC=CC(=O)NCCCCCCCCO 240690a_102515433106_100000210699 [0,2,0,0,0,0|1,0,1]=4 12852 B14R0.393 CC=CCCCOCCCC(=O)OCC 34a_100020645299_100009991533 [0,2,0,0,0,0|0,0,1]=3 12853 B14R0.393 CC=CCOCCCCCC(=O)OCC 7a_100011214988_100000070051 [0,2,0,0,0,0|0,0,1]=3 12854 B14R0.393 CC=CCSCCCCCC(=O)OCC 62a_100000070051_100000755133 [0,2,0,0,0,0|0,0,1]=3 12855 B14R0.393 CC=CCSCCCCCC(=O)OCC 62a_100000755133_100000070051 [0,2,0,0,0,0|0,0,1]=3 12856 B14R0.393 CC=CCSCCCOCC(=O)OCC 62a_100000070051_100009893628 [0,2,0,0,0,0|0,0,2]=4 12857 B14R0.393 CC=CCSCCCOCC(=O)OCC 62a_100009893628_100000070051 [0,2,0,0,0,0|0,0,2]=4 12858 B14R0.393 CCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000036426 [0,2,0,0,0,0|1,0,0]=3 12859 B14R0.393 CCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000036426 [0,2,0,0,0,0|2,0,0]=4 12860 B14R0.393 CCC#CCCCCCCC(=O)COC 1458a_100000210968_200000036426 [0,2,0,0,0,0|2,0,0]=4 12861 B14R0.393 CCC#CCCCCCCC(=O)CSC 1458a_100000184570_200000036426 [0,2,0,0,0,0|2,0,0]=4 12862 B14R0.393 CCC#CCCOCCCC(=O)OCC 34a_100000036655_100009991533 [0,2,0,0,0,0|0,0,1]=3 12863 B14R0.393 CCC#CCCOCCCC(=O)OCC 7a_100000036655_100011215271 [0,2,0,0,0,0|0,0,1]=3 12864 B14R0.393 CCC#CCCOCCNC(=O)OCC 7a_100000036655_200011445536 [0,2,0,0,0,0|0,0,2]=4 12865 B14R0.393 CCC#CCOCCCCC(=O)OCC 34a_100000032950_100000750268 [0,2,0,0,0,0|0,0,1]=3 12866 B14R0.393 CCC#CCOCCOCC(=O)OCC 34a_100000032950_100000088970 [0,2,0,0,0,0|0,0,2]=4 12867 B14R0.393 CCC#CCOCCSCC(=O)OCC 7a_200000230590_100009813939 [0,2,0,0,0,0|0,0,2]=4 12868 B14R0.393 CCC#CCSCCCCC(=O)OCC 62a_100000750268_100009813939 [0,2,0,0,0,0|0,0,1]=3 12869 B14R0.393 CCC#CCSCCCCC(=O)OCC 62a_100009813939_100000750268 [0,2,0,0,0,0|0,0,1]=3 12870 B14R0.393 CCC#CCSCCOCC(=O)OCC 62a_100000088970_100009813939 [0,2,0,0,0,0|0,0,2]=4 12871 B14R0.393 CCC#CCSCCOCC(=O)OCC 62a_100009813939_100000088970 [0,2,0,0,0,0|0,0,2]=4 12872 B14R0.393 CCC/C=C/COCCCC(=O)OCC 34a_100016278788_100009991533 [0,2,0,0,0,0|0,0,1]=3 12873 B14R0.393 CCC/C=C/COCCCC(=O)OCC 7a_100016278788_100011215271 [0,2,0,0,0,0|0,0,1]=3 12874 B14R0.393 CCC/C=C/COCCNC(=O)OCC 7a_100016278788_200011445536 [0,2,0,0,0,0|0,0,2]=4 12875 B14R0.393 CCCC#CCCOCCC(=O)NCC 7a_100000042726_100000737597 [0,2,0,0,0,0|1,0,1]=4 12876 B14R0.393 CCCC#CCCOCCC(=O)OCC 34a_100000042726_100000765890 [0,2,0,0,0,0|0,0,1]=3 12877 B14R0.393 CCCC#CCCOCCC(=O)OCC 7a_100000042726_100011206558 [0,2,0,0,0,0|0,0,1]=3 12878 B14R0.393 CCCC#CCOCCCC(=O)OCC 34a_100000034806_100009991533 [0,2,0,0,0,0|0,0,1]=3 12879 B14R0.393 CCCC#CCOCCCC(=O)OCC 7a_100000034806_100011215271 [0,2,0,0,0,0|0,0,1]=3 12880 B14R0.393 CCCC#CCOCCNC(=O)OCC 7a_100000034806_200011445536 [0,2,0,0,0,0|0,0,2]=4 12881 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,2,0,0,0,0|1,0,0]=3 12882 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,2,0,0,0,0|1,0,0]=3 12883 B14R0.393 CCCC(=O)CCOCCOCCOC 1458a_100000211992_100013367474 [0,2,0,0,0,0|2,0,0]=4 12884 B14R0.393 CCCC(=O)CCOCCOCCOC 1458a_100012278103_100000210303 [0,2,0,0,0,0|2,0,0]=4 12885 B14R0.393 CCCC(=O)CNCCCCCCCO 2230a_100011996573_100000747444 [0,2,0,0,0,0|1,0,0]=3 12886 B14R0.393 CCCC(=O)CNCCCOCCCO 2230a_100011310245_100000747444 [0,2,0,0,0,0|2,0,0]=4 12887 B14R0.393 CCCC(=O)CNCCCOCCOC 2230a_100000206027_100000747444 [0,2,0,0,0,0|2,0,0]=4 12888 B14R0.393 CCCC(=O)CNCCOCCOCC 2230a_100102712874_100000747444 [0,2,0,0,0,0|2,0,0]=4 12889 B14R0.393 CCCC(=O)COCCCCCCCBr 7a_100000760002_100000747444 [0,2,0,0,0,0|1,0,0]=3 12890 B14R0.393 CCCC(=O)COCCCCCCOC 7a_200012092642_100000747444 [0,2,0,0,0,0|1,0,0]=3 12891 B14R0.393 CCCC(=O)COCCOCCOCC 7a_100000210240_100000747444 [0,2,0,0,0,0|2,0,0]=4 12892 B14R0.393 CCCC(=O)CSCCCCCCC#N 62a_100000747444_100009813337 [0,2,0,0,0,0|1,0,1]=4 12893 B14R0.393 CCCC(=O)CSCCCCCCC#N 62a_100009813337_100000747444 [0,2,0,0,0,0|1,0,1]=4 12894 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000747444_100000760002 [0,2,0,0,0,0|1,0,0]=3 12895 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000760002_100000747444 [0,2,0,0,0,0|1,0,0]=3 12896 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100000747444_100011998445 [0,2,0,0,0,0|1,0,0]=3 12897 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100011998445_100000747444 [0,2,0,0,0,0|1,0,0]=3 12898 B14R0.393 CCCC(=O)CSCCCOCCOC 62a_100000747444_100011216529 [0,2,0,0,0,0|2,0,0]=4 12899 B14R0.393 CCCC(=O)CSCCCOCCOC 62a_100011216529_100000747444 [0,2,0,0,0,0|2,0,0]=4 12900 B14R0.393 CCCC(=O)CSCCOCCOCC 62a_100000747444_100011211534 [0,2,0,0,0,0|2,0,0]=4 12901 B14R0.393 CCCC(=O)CSCCOCCOCC 62a_100011211534_100000747444 [0,2,0,0,0,0|2,0,0]=4 12902 B14R0.393 CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000211992 [0,2,0,0,0,0|1,0,0]=3 12903 B14R0.393 CCCC(=O)OCNCCCCCCO 2230a_100000686447_100000034017 [0,2,0,0,0,0|2,0,0]=4 12904 B14R0.393 CCCC(=O)OCNCCCCCCO 34a_100000686447_100000034017 [0,2,0,0,0,0|2,0,0]=4 12905 B14R0.393 CCCC(=O)OCNCCCCCOC 2230a_100000747528_100000034017 [0,2,0,0,0,0|2,0,0]=4 12906 B14R0.393 CCCC(=O)OCNCCCCCOC 34a_100000747528_100000034017 [0,2,0,0,0,0|2,0,0]=4 12907 B14R0.393 CCCC(=O)OCOCCCCCCBr 34a_100011215345_100000034017 [0,2,0,0,0,0|2,0,0]=4 12908 B14R0.393 CCCC(=O)OCOCCCCCCCl 34a_100000766143_100000034017 [0,2,0,0,0,0|2,0,0]=4 12909 B14R0.393 CCCC(=O)OCOCCCCCCF 34a_100000732779_100000034017 [0,2,0,0,0,0|2,0,0]=4 12910 B14R0.393 CCCC(=O)OCOCCCCCCN 34a_100000686447_100000034017 [0,2,0,0,0,0|2,0,0]=4 12911 B14R0.393 CCCC(=O)OCOCCCCCNC 34a_100000722520_100000034017 [0,2,0,0,0,0|2,0,0]=4 12912 B14R0.393 CCCC(=O)OCSCCCCCCF 62a_100015922095_100000034017 [0,2,0,0,0,0|2,0,0]=4 12913 B14R0.393 CCCC(=O)OCSCCCCCCO 62a_100000766143_100000034017 [0,2,0,0,0,0|2,0,0]=4 12914 B14R0.393 CCCC/C=C/COCCC(=O)NCC 7a_200016272032_100000737597 [0,2,0,0,0,0|1,0,1]=4 12915 B14R0.393 CCCC/C=C/COCCC(=O)OCC 34a_200016272032_100000765890 [0,2,0,0,0,0|0,0,1]=3 12916 B14R0.393 CCCC/C=C/COCCC(=O)OCC 7a_200016272032_100011206558 [0,2,0,0,0,0|0,0,1]=3 12917 B14R0.393 CCCC/C=C\CCOCC(=O)CCC 7a_200016286491_100000747444 [0,2,0,0,0,0|1,0,1]=4 12918 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 34a_200016286491_100000183381 [0,2,0,0,0,0|1,0,1]=4 12919 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 7a_200016286491_100000183381 [0,2,0,0,0,0|1,0,1]=4 12920 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 34a_200016286491_100000188475 [0,2,0,0,0,0|0,0,1]=3 12921 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 7a_200016286491_100000188475 [0,2,0,0,0,0|0,0,1]=3 12922 B14R0.393 CCCCC#CCCOCC(=O)CCC 7a_100000037610_100000747444 [0,2,0,0,0,0|1,0,1]=4 12923 B14R0.393 CCCCC#CCCOCC(=O)NCC 34a_100000037610_100000183381 [0,2,0,0,0,0|1,0,1]=4 12924 B14R0.393 CCCCC#CCCOCC(=O)NCC 7a_100000037610_100000183381 [0,2,0,0,0,0|1,0,1]=4 12925 B14R0.393 CCCCC#CCCOCC(=O)OCC 34a_100000037610_100000188475 [0,2,0,0,0,0|0,0,1]=3 12926 B14R0.393 CCCCC#CCCOCC(=O)OCC 7a_100000037610_100000188475 [0,2,0,0,0,0|0,0,1]=3 12927 B14R0.393 CCCCC#CCOCCC(=O)NCC 7a_200000034558_100000737597 [0,2,0,0,0,0|1,0,1]=4 12928 B14R0.393 CCCCC#CCOCCC(=O)OCC 34a_200000034558_100000765890 [0,2,0,0,0,0|0,0,1]=3 12929 B14R0.393 CCCCC#CCOCCC(=O)OCC 7a_200000034558_100011206558 [0,2,0,0,0,0|0,0,1]=3 12930 B14R0.393 CCCCC/C=C/COCC(=O)CCC 7a_100016258190_100000747444 [0,2,0,0,0,0|1,0,1]=4 12931 B14R0.393 CCCCC/C=C/COCC(=O)NCC 34a_100016258190_100000183381 [0,2,0,0,0,0|1,0,1]=4 12932 B14R0.393 CCCCC/C=C/COCC(=O)NCC 7a_100016258190_100000183381 [0,2,0,0,0,0|1,0,1]=4 12933 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,2,0,0,0,0|0,0,1]=3 12934 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,2,0,0,0,0|0,0,1]=3 12935 B14R0.393 CCCCCC#CCNCC(=O)NCC 2230a_100016988866_100009816472 [0,2,0,0,0,0|1,0,1]=4 12936 B14R0.393 CCCCCC#CCOCC(=O)CCC 7a_200000033628_100000747444 [0,2,0,0,0,0|1,0,1]=4 12937 B14R0.393 CCCCCC#CCOCC(=O)NCC 34a_200000033628_100000183381 [0,2,0,0,0,0|1,0,1]=4 12938 B14R0.393 CCCCCC#CCOCC(=O)NCC 7a_200000033628_100000183381 [0,2,0,0,0,0|1,0,1]=4 12939 B14R0.393 CCCCCC#CCOCC(=O)OCC 34a_200000033628_100000188475 [0,2,0,0,0,0|0,0,1]=3 12940 B14R0.393 CCCCCC#CCOCC(=O)OCC 7a_200000033628_100000188475 [0,2,0,0,0,0|0,0,1]=3 12941 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100000747444_100009816472 [0,2,0,0,0,0|1,0,1]=4 12942 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100009816472_100000747444 [0,2,0,0,0,0|1,0,1]=4 12943 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100000183381_100009816472 [0,2,0,0,0,0|1,0,1]=4 12944 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100009816472_100000183381 [0,2,0,0,0,0|1,0,1]=4 12945 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100000188475_100009816472 [0,2,0,0,0,0|0,0,1]=3 12946 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100009816472_100000188475 [0,2,0,0,0,0|0,0,1]=3 12947 B14R0.393 CCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210592 [0,2,0,0,0,0|1,0,1]=4 12948 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [0,2,0,0,0,0|1,0,0]=3 12949 B14R0.393 CCCCCCCCC=CC(=O)CCF 1458a_100015345288_100011217306 [0,2,0,0,0,0|2,0,0]=4 12950 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,2,0,0,0,0|2,0,0]=4 12951 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [0,2,0,0,0,0|1,0,0]=3 12952 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [0,2,0,0,0,0|1,0,0]=3 12953 B14R0.393 CCCCCCCCC=CC(=O)NNC 22a_100016993582_100015345288 [0,2,0,0,0,0|2,0,0]=4 12954 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,2,0,0,0,0|1,0,0]=3 12955 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,2,0,0,0,0|1,0,0]=3 12956 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,2,0,0,0,0|2,0,0]=4 12957 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,2,0,0,0,0|2,0,0]=4 12958 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,2,0,0,0,0|2,0,0]=4 12959 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,2,0,0,0,0|2,0,0]=4 12960 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,2,0,0,0,0|2,0,0]=4 12961 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,2,0,0,0,0|1,0,0]=3 12962 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,2,0,0,0,0|1,0,0]=3 12963 B14R0.393 CCCCCCCCCCC(=O)NNC 22a_100016993582_100000210375 [0,2,0,0,0,0|2,0,0]=4 12964 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 12965 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 12966 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,2,0,0,0,0|1,0,0]=3 12967 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,2,0,0,0,0|1,0,0]=3 12968 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,2,0,0,0,0|1,0,0]=3 12969 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,2,0,0,0,0|1,0,0]=3 12970 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [0,2,0,0,0,0|2,0,0]=4 12971 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,2,0,0,0,0|2,0,0]=4 12972 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,2,0,0,0,0|2,0,0]=4 12973 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,2,0,0,0,0|2,0,0]=4 12974 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,2,0,0,0,0|2,0,0]=4 12975 B14R0.393 CCCCCCCCCNC(=O)CSC 11a_100000212291_100000184570 [0,2,0,0,0,0|2,0,0]=4 12976 B14R0.393 CCCCCCCCCNC(=O)CSC 1626a_100000212291_100000184570 [0,2,0,0,0,0|2,0,0]=4 12977 B14R0.393 CCCCCCCCCNC(=O)CSC 240690a_100000212291_100000184570 [0,2,0,0,0,0|2,0,0]=4 12978 B14R0.393 CCCCCCCCCNC(=O)CSC 527a_100000212291_100000184570 [0,2,0,0,0,0|2,0,0]=4 12979 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,2,0,0,0,0|1,0,0]=3 12980 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,2,0,0,0,0|1,0,0]=3 12981 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,2,0,0,0,0|1,0,0]=3 12982 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,2,0,0,0,0|1,0,0]=3 12983 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,2,0,0,0,0|1,0,0]=3 12984 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,2,0,0,0,0|1,0,0]=3 12985 B14R0.393 CCCCCCCCCNC(=O)NNC 273464a_100000212291_100016993582 [0,2,0,0,0,0|2,0,0]=4 12986 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100000212291_100016993582 [0,2,0,0,0,0|2,0,0]=4 12987 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100016993582_100000212291 [0,2,0,0,0,0|2,0,0]=4 12988 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,2,0,0,0,0|1,0,0]=3 12989 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,2,0,0,0,0|1,0,0]=3 12990 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,2,0,0,0,0|1,0,0]=3 12991 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,2,0,0,0,0|1,0,0]=3 12992 B14R0.393 CCCCCCCCNCC(=O)NCO 2230a_100000229939_100000185155 [0,2,0,0,0,0|2,0,0]=4 12993 B14R0.393 CCCCCCCCNCC(=O)NCO 34a_100000229939_100000185155 [0,2,0,0,0,0|2,0,0]=4 12994 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,2,0,0,0,0|0,0,0]=2 12995 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,2,0,0,0,0|0,0,0]=2 12996 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,2,0,0,0,0|1,0,0]=3 12997 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,2,0,0,0,0|1,0,0]=3 12998 B14R0.393 CCCCCCCCOCC(=O)CCF 1458a_100000759886_100011217306 [0,2,0,0,0,0|2,0,0]=4 12999 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [0,2,0,0,0,0|2,0,0]=4 13000 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,2,0,0,0,0|1,0,0]=3 13001 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,2,0,0,0,0|1,0,0]=3 13002 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,2,0,0,0,0|1,0,0]=3 13003 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,2,0,0,0,0|1,0,0]=3 13004 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,2,0,0,0,0|1,0,0]=3 13005 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [0,2,0,0,0,0|2,0,0]=4 13006 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [0,2,0,0,0,0|2,0,0]=4 13007 B14R0.393 CCCCCCCCOCC(=O)NNC 22a_100016993582_100000759886 [0,2,0,0,0,0|2,0,0]=4 13008 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,2,0,0,0,0|0,0,0]=2 13009 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,2,0,0,0,0|0,0,0]=2 13010 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,2,0,0,0,0|1,0,0]=3 13011 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,2,0,0,0,0|1,0,0]=3 13012 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,2,0,0,0,0|1,0,0]=3 13013 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,2,0,0,0,0|1,0,0]=3 13014 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000185155_100000210317 [0,2,0,0,0,0|2,0,0]=4 13015 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000210759_100000185155 [0,2,0,0,0,0|2,0,0]=4 13016 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,2,0,0,0,0|0,0,0]=2 13017 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,2,0,0,0,0|0,0,0]=2 13018 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,2,0,0,0,0|1,0,0]=3 13019 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,2,0,0,0,0|1,0,0]=3 13020 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,2,0,0,0,0|0,0,0]=2 13021 B14R0.393 CCCCCCCNCOC(=O)CCC 2230a_100000229938_100000034017 [0,2,0,0,0,0|1,0,0]=3 13022 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,2,0,0,0,0|1,0,0]=3 13023 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,2,0,0,0,0|0,0,0]=2 13024 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,2,0,0,0,0|0,0,0]=2 13025 B14R0.393 CCCCCCCOCOC(=O)CCC 34a_100000210272_100000034017 [0,2,0,0,0,0|1,0,0]=3 13026 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,2,0,0,0,0|1,0,0]=3 13027 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,2,0,0,0,0|1,0,0]=3 13028 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,2,0,0,0,0|0,0,0]=2 13029 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,2,0,0,0,0|0,0,0]=2 13030 B14R0.393 CCCCCCCSCOC(=O)CCC 62a_100000210614_100000034017 [0,2,0,0,0,0|1,0,0]=3 13031 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,2,0,0,0,0|0,0,0]=2 13032 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,2,0,0,0,0|0,0,1]=3 13033 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,2,0,0,0,0|0,0,0]=2 13034 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,2,0,0,0,0|0,0,1]=3 13035 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,2,0,0,0,0|0,0,1]=3 13036 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,2,0,0,0,0|0,0,0]=2 13037 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,2,0,0,0,0|0,0,0]=2 13038 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,2,0,0,0,0|0,0,0]=2 13039 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,2,0,0,0,0|0,0,0]=2 13040 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,2,0,0,0,0|0,0,0]=2 13041 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,2,0,0,0,0|0,0,1]=3 13042 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,2,0,0,0,0|0,0,1]=3 13043 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,2,0,0,0,0|0,0,0]=2 13044 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,2,0,0,0,0|0,0,0]=2 13045 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,2,0,0,0,0|0,0,0]=2 13046 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,2,0,0,0,0|0,0,0]=2 13047 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [0,2,0,0,0,0|1,0,0]=3 13048 B14R0.393 CCCCCNCCOCC(=O)NCO 34a_100000224656_100000185155 [0,2,0,0,0,0|2,0,0]=4 13049 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,2,0,0,0,0|0,0,0]=2 13050 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,2,0,0,0,0|0,0,0]=2 13051 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,2,0,0,0,0|0,0,0]=2 13052 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,2,0,0,0,0|0,0,0]=2 13053 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [0,2,0,0,0,0|1,0,0]=3 13054 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [0,2,0,0,0,0|1,0,0]=3 13055 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [0,2,0,0,0,0|1,0,0]=3 13056 B14R0.393 CCCCCOCCOCC(=O)NCO 34a_100011215259_100000185155 [0,2,0,0,0,0|2,0,0]=4 13057 B14R0.393 CCCCCOCCOCC(=O)NCO 7a_100011215259_100000185155 [0,2,0,0,0,0|2,0,0]=4 13058 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,2,0,0,0,0|0,0,0]=2 13059 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,2,0,0,0,0|0,0,0]=2 13060 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,2,0,0,0,0|0,0,0]=2 13061 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,2,0,0,0,0|0,0,0]=2 13062 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,2,0,0,0,0|0,0,0]=2 13063 B14R0.393 CCCCCSCC=NNC(=O)OCC 62a_100000210326_100015372823 [0,2,0,0,0,0|1,0,1]=4 13064 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,2,0,0,0,0|0,0,0]=2 13065 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,2,0,0,0,0|0,0,0]=2 13066 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,2,0,0,0,0|0,0,0]=2 13067 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,2,0,0,0,0|0,0,0]=2 13068 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,2,0,0,0,0|0,0,0]=2 13069 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,2,0,0,0,0|0,0,0]=2 13070 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,2,0,0,0,0|0,0,0]=2 13071 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,2,0,0,0,0|0,0,0]=2 13072 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,2,0,0,0,0|0,0,0]=2 13073 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,2,0,0,0,0|0,0,0]=2 13074 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,2,0,0,0,0|0,0,0]=2 13075 B14R0.393 CCCCOCCCNCC(=O)CCC 2230a_200000211371_100000747444 [0,2,0,0,0,0|1,0,0]=3 13076 B14R0.393 CCCCOCCCNCC(=O)NCC 2230a_200000211371_100000183381 [0,2,0,0,0,0|1,0,0]=3 13077 B14R0.393 CCCCOCCCNCC(=O)NCC 34a_200000211371_100000183381 [0,2,0,0,0,0|1,0,0]=3 13078 B14R0.393 CCCCOCCCNCC(=O)NCO 2230a_200000211371_100000185155 [0,2,0,0,0,0|2,0,0]=4 13079 B14R0.393 CCCCOCCCNCC(=O)NCO 34a_200000211371_100000185155 [0,2,0,0,0,0|2,0,0]=4 13080 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,2,0,0,0,0|0,0,0]=2 13081 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,2,0,0,0,0|0,0,0]=2 13082 B14R0.393 CCCCOCCCOCC(=O)CCC 7a_200011215613_100000747444 [0,2,0,0,0,0|1,0,0]=3 13083 B14R0.393 CCCCOCCCOCC(=O)NCC 34a_200011215613_100000183381 [0,2,0,0,0,0|1,0,0]=3 13084 B14R0.393 CCCCOCCCOCC(=O)NCC 7a_200011215613_100000183381 [0,2,0,0,0,0|1,0,0]=3 13085 B14R0.393 CCCCOCCCOCC(=O)NCO 34a_200011215613_100000185155 [0,2,0,0,0,0|2,0,0]=4 13086 B14R0.393 CCCCOCCCOCC(=O)NCO 7a_200011215613_100000185155 [0,2,0,0,0,0|2,0,0]=4 13087 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,2,0,0,0,0|0,0,0]=2 13088 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,2,0,0,0,0|0,0,0]=2 13089 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,2,0,0,0,0|0,0,0]=2 13090 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,2,0,0,0,0|0,0,0]=2 13091 B14R0.393 CCCCOCCNCCC(=O)NCC 34a_100025743525_100000743108 [0,2,0,0,0,0|1,0,0]=3 13092 B14R0.393 CCCCOCCOCCC(=O)NCC 7a_100000210238_100000737597 [0,2,0,0,0,0|1,0,0]=3 13093 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,2,0,0,0,0|0,0,0]=2 13094 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,2,0,0,0,0|0,0,0]=2 13095 B14R0.393 CCCCOCCOCOC(=O)CCC 34a_100000210238_100000034017 [0,2,0,0,0,0|2,0,0]=4 13096 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000737597_100000743108 [0,2,0,0,0,0|1,0,0]=3 13097 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000743108_100000737597 [0,2,0,0,0,0|1,0,0]=3 13098 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,2,0,0,0,0|0,0,0]=2 13099 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,2,0,0,0,0|0,0,0]=2 13100 B14R0.393 CCCCOCCSCOC(=O)CCC 62a_100000743108_100000034017 [0,2,0,0,0,0|2,0,0]=4 13101 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,2,0,0,0,0|1,0,0]=3 13102 B14R0.393 CCCCOCOCCNC(=O)OCC 34a_100000158857_100011995733 [0,2,0,0,0,0|1,0,0]=3 13103 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100011995733_100016267167 [0,2,0,0,0,0|0,0,2]=4 13104 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100016267167_100011995733 [0,2,0,0,0,0|0,0,2]=4 13105 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,2,0,0,0,0|0,0,0]=2 13106 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,2,0,0,0,0|0,0,0]=2 13107 B14R0.393 CCCCOCSCCNC(=O)OCC 62a_100011995733_200011445536 [0,2,0,0,0,0|1,0,0]=3 13108 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,2,0,0,0,0|0,0,0]=2 13109 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,2,0,0,0,0|0,0,0]=2 13110 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,2,0,0,0,0|0,0,0]=2 13111 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,2,0,0,0,0|0,0,0]=2 13112 B14R0.393 CCCCSCCNCCC(=O)NCC 2230a_100025743550_100000737597 [0,2,0,0,0,0|1,0,0]=3 13113 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,2,0,0,0,0|0,0,0]=2 13114 B14R0.393 CCCCSCCNCOC(=O)CCC 2230a_100025743550_100000034017 [0,2,0,0,0,0|2,0,0]=4 13115 B14R0.393 CCCCSCCOCCC(=O)NCC 7a_200000230436_100000737597 [0,2,0,0,0,0|1,0,0]=3 13116 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,2,0,0,0,0|0,0,0]=2 13117 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,2,0,0,0,0|0,0,0]=2 13118 B14R0.393 CCCCSCCOCOC(=O)CCC 34a_200000230436_100000034017 [0,2,0,0,0,0|2,0,0]=4 13119 B14R0.393 CCCNN=CCCCCC(=O)OCC 4a_100000740057_100012182868 [0,2,0,0,0,0|0,0,1]=3 13120 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,2,0,0,0,0|0,0,0]=2 13121 B14R0.393 CCCOCCCNCCC(=O)NCC 2230a_100011217757_100000737597 [0,2,0,0,0,0|1,0,0]=3 13122 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,2,0,0,0,0|0,0,0]=2 13123 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,2,0,0,0,0|0,0,0]=2 13124 B14R0.393 CCCOCCCNCOC(=O)CCC 2230a_100011217757_100000034017 [0,2,0,0,0,0|2,0,0]=4 13125 B14R0.393 CCCOCCCNCOC(=O)CCC 34a_100011217757_100000034017 [0,2,0,0,0,0|2,0,0]=4 13126 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 2230a_100161115042_100016267167 [0,2,0,0,0,0|0,0,2]=4 13127 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 34a_100161115042_100016267167 [0,2,0,0,0,0|0,0,2]=4 13128 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,2,0,0,0,0|0,0,0]=2 13129 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,2,0,0,0,0|0,0,0]=2 13130 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 34a_100000752267_100016267167 [0,2,0,0,0,0|0,0,2]=4 13131 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 7a_100000752267_100016267167 [0,2,0,0,0,0|0,0,2]=4 13132 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,2,0,0,0,0|0,0,0]=2 13133 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,2,0,0,0,0|0,0,0]=2 13134 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,2,0,0,0,0|0,0,0]=2 13135 B14R0.393 CCCOCCOCCNC(=O)CCC 11a_200011904461_100000211992 [0,2,0,0,0,0|2,0,0]=4 13136 B14R0.393 CCCOCCOCCNC(=O)CCC 1626a_200011904461_100000211992 [0,2,0,0,0,0|2,0,0]=4 13137 B14R0.393 CCCOCCOCCNC(=O)CCC 240690a_200011904461_100000211992 [0,2,0,0,0,0|2,0,0]=4 13138 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_100015525214_200011904461 [0,2,0,0,0,0|2,0,0]=4 13139 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_200011904461_100015525214 [0,2,0,0,0,0|2,0,0]=4 13140 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_100015525214_200011904461 [0,2,0,0,0,0|2,0,0]=4 13141 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_200011904461_100015525214 [0,2,0,0,0,0|2,0,0]=4 13142 B14R0.393 CCCOCCOCCNC(=O)NCC 512a_200011904461_100015525214 [0,2,0,0,0,0|2,0,0]=4 13143 B14R0.393 CCCOCCOCCNC(=O)OCC 34a_100000158857_100011215938 [0,2,0,0,0,0|1,0,0]=3 13144 B14R0.393 CCCOCCOCCNC(=O)OCC 7a_100000752267_200011445536 [0,2,0,0,0,0|1,0,0]=3 13145 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100011215938_100016267167 [0,2,0,0,0,0|0,0,2]=4 13146 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215938 [0,2,0,0,0,0|0,0,2]=4 13147 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,2,0,0,0,0|0,0,0]=2 13148 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,2,0,0,0,0|0,0,0]=2 13149 B14R0.393 CCCOCCSCCNC(=O)OCC 62a_100011215938_200011445536 [0,2,0,0,0,0|1,0,0]=3 13150 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,2,0,0,0,0|0,0,0]=2 13151 B14R0.393 CCCSCCNC/C=C/C(=O)OCC 2230a_100020603323_100016267167 [0,2,0,0,0,0|0,0,2]=4 13152 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,2,0,0,0,0|0,0,0]=2 13153 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 34a_200000230433_100016267167 [0,2,0,0,0,0|0,0,2]=4 13154 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 7a_200000230433_100016267167 [0,2,0,0,0,0|0,0,2]=4 13155 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,2,0,0,0,0|0,0,0]=2 13156 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,2,0,0,0,0|0,0,0]=2 13157 B14R0.393 CCCSCCOCCNC(=O)OCC 7a_200000230433_200011445536 [0,2,0,0,0,0|1,0,0]=3 13158 B14R0.393 CCNC(=O)C=CCCCCCCCO 240690a_100015525214_100016988705 [0,2,0,0,0,0|1,0,1]=4 13159 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,2,0,0,0,0|1,0,0]=3 13160 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,2,0,0,0,0|1,0,0]=3 13161 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,2,0,0,0,0|1,0,0]=3 13162 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,2,0,0,0,0|1,0,0]=3 13163 B14R0.393 CCNC(=O)CCNCCCCCCF 34a_100025743525_100015922095 [0,2,0,0,0,0|1,0,0]=3 13164 B14R0.393 CCNC(=O)CCNCCCCCCO 2230a_100000686447_100000737597 [0,2,0,0,0,0|1,0,0]=3 13165 B14R0.393 CCNC(=O)CCNCCCCCCO 34a_100025743525_100000766143 [0,2,0,0,0,0|1,0,0]=3 13166 B14R0.393 CCNC(=O)CCNCCCCCOC 2230a_100000747528_100000737597 [0,2,0,0,0,0|1,0,0]=3 13167 B14R0.393 CCNC(=O)CCNCCOCCOC 2230a_100000745349_100000737597 [0,2,0,0,0,0|2,0,0]=4 13168 B14R0.393 CCNC(=O)CCNCCOCCOC 34a_100025743525_100000695917 [0,2,0,0,0,0|2,0,0]=4 13169 B14R0.393 CCNC(=O)CCOCCCCCCBr 7a_100011215345_100000737597 [0,2,0,0,0,0|1,0,0]=3 13170 B14R0.393 CCNC(=O)CCOCCCCCCCl 7a_100000766143_100000737597 [0,2,0,0,0,0|1,0,0]=3 13171 B14R0.393 CCNC(=O)CCOCCCCCCF 7a_100000732779_100000737597 [0,2,0,0,0,0|1,0,0]=3 13172 B14R0.393 CCNC(=O)CCOCCOCCOC 11a_100015525214_100012278103 [0,2,0,0,0,0|2,0,0]=4 13173 B14R0.393 CCNC(=O)CCOCCOCCOC 240690a_100015525214_100012278103 [0,2,0,0,0,0|2,0,0]=4 13174 B14R0.393 CCNC(=O)CCOCCOCCOC 527a_100015525214_100012278103 [0,2,0,0,0,0|2,0,0]=4 13175 B14R0.393 CCNC(=O)CCOCCOCCOC 7a_100011215163_100000737597 [0,2,0,0,0,0|2,0,0]=4 13176 B14R0.393 CCNC(=O)CCSCCCCCC#N 62a_100000737597_100009813376 [0,2,0,0,0,0|1,0,1]=4 13177 B14R0.393 CCNC(=O)CCSCCCCCC#N 62a_100009813376_100000737597 [0,2,0,0,0,0|1,0,1]=4 13178 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000139337_100000737597 [0,2,0,0,0,0|1,0,1]=4 13179 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000737597_100000139337 [0,2,0,0,0,0|1,0,1]=4 13180 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100000737597_100015922095 [0,2,0,0,0,0|1,0,0]=3 13181 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100015922095_100000737597 [0,2,0,0,0,0|1,0,0]=3 13182 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000737597_100000766143 [0,2,0,0,0,0|1,0,0]=3 13183 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000766143_100000737597 [0,2,0,0,0,0|1,0,0]=3 13184 B14R0.393 CCNC(=O)CCSCCOCCOC 62a_100000695917_100000737597 [0,2,0,0,0,0|2,0,0]=4 13185 B14R0.393 CCNC(=O)CCSCCOCCOC 62a_100000737597_100000695917 [0,2,0,0,0,0|2,0,0]=4 13186 B14R0.393 CCNC(=O)CNCCCCCCC#N 2230a_100016988866_100009813337 [0,2,0,0,0,0|1,0,1]=4 13187 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183381 [0,2,0,0,0,0|1,0,0]=3 13188 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100016988866_100000760002 [0,2,0,0,0,0|1,0,0]=3 13189 B14R0.393 CCNC(=O)CNCCCCCCCO 34a_100011996573_100000183381 [0,2,0,0,0,0|1,0,0]=3 13190 B14R0.393 CCNC(=O)CNCCCCCCOC 2230a_100016988866_100011998445 [0,2,0,0,0,0|1,0,0]=3 13191 B14R0.393 CCNC(=O)CNCCCOCCCO 2230a_100011310245_100000183381 [0,2,0,0,0,0|2,0,0]=4 13192 B14R0.393 CCNC(=O)CNCCCOCCCO 34a_100011310245_100000183381 [0,2,0,0,0,0|2,0,0]=4 13193 B14R0.393 CCNC(=O)CNCCCOCCOC 2230a_100000206027_100000183381 [0,2,0,0,0,0|2,0,0]=4 13194 B14R0.393 CCNC(=O)CNCCCOCCOC 2230a_100016988866_100011216529 [0,2,0,0,0,0|2,0,0]=4 13195 B14R0.393 CCNC(=O)CNCCCOCCOC 34a_100000206027_100000183381 [0,2,0,0,0,0|2,0,0]=4 13196 B14R0.393 CCNC(=O)CNCCOCCOCC 2230a_100016988866_100011211534 [0,2,0,0,0,0|2,0,0]=4 13197 B14R0.393 CCNC(=O)CNCCOCCOCC 2230a_100102712874_100000183381 [0,2,0,0,0,0|2,0,0]=4 13198 B14R0.393 CCNC(=O)CNCCOCCOCC 34a_100102712874_100000183381 [0,2,0,0,0,0|2,0,0]=4 13199 B14R0.393 CCNC(=O)COCCCCCCCBr 34a_100000760002_100000183381 [0,2,0,0,0,0|1,0,0]=3 13200 B14R0.393 CCNC(=O)COCCCCCCCBr 7a_100000760002_100000183381 [0,2,0,0,0,0|1,0,0]=3 13201 B14R0.393 CCNC(=O)COCCCCCCCN 34a_100011996573_100000183381 [0,2,0,0,0,0|1,0,0]=3 13202 B14R0.393 CCNC(=O)COCCCCCCOC 34a_200012092642_100000183381 [0,2,0,0,0,0|1,0,0]=3 13203 B14R0.393 CCNC(=O)COCCCCCCOC 7a_200012092642_100000183381 [0,2,0,0,0,0|1,0,0]=3 13204 B14R0.393 CCNC(=O)COCCCOCCCN 34a_100011310245_100000183381 [0,2,0,0,0,0|2,0,0]=4 13205 B14R0.393 CCNC(=O)COCCOCCOCC 34a_100000210240_100000183381 [0,2,0,0,0,0|2,0,0]=4 13206 B14R0.393 CCNC(=O)COCCOCCOCC 7a_100000210240_100000183381 [0,2,0,0,0,0|2,0,0]=4 13207 B14R0.393 CCNC(=O)CSCCCCCCC#N 62a_100000183381_100009813337 [0,2,0,0,0,0|1,0,1]=4 13208 B14R0.393 CCNC(=O)CSCCCCCCC#N 62a_100009813337_100000183381 [0,2,0,0,0,0|1,0,1]=4 13209 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000183381_100000760002 [0,2,0,0,0,0|1,0,0]=3 13210 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000760002_100000183381 [0,2,0,0,0,0|1,0,0]=3 13211 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100000183381_100011998445 [0,2,0,0,0,0|1,0,0]=3 13212 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100011998445_100000183381 [0,2,0,0,0,0|1,0,0]=3 13213 B14R0.393 CCNC(=O)CSCCCOCCOC 62a_100000183381_100011216529 [0,2,0,0,0,0|2,0,0]=4 13214 B14R0.393 CCNC(=O)CSCCCOCCOC 62a_100011216529_100000183381 [0,2,0,0,0,0|2,0,0]=4 13215 B14R0.393 CCNC(=O)CSCCOCCOCC 62a_100000183381_100011211534 [0,2,0,0,0,0|2,0,0]=4 13216 B14R0.393 CCNC(=O)CSCCOCCOCC 62a_100011211534_100000183381 [0,2,0,0,0,0|2,0,0]=4 13217 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_100015525214_102515433106 [0,2,0,0,0,0|1,0,0]=3 13218 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_102515433106_100015525214 [0,2,0,0,0,0|1,0,0]=3 13219 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_100015525214_102515433106 [0,2,0,0,0,0|1,0,0]=3 13220 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_102515433106_100015525214 [0,2,0,0,0,0|1,0,0]=3 13221 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_100015525214_102515433106 [0,2,0,0,0,0|1,0,0]=3 13222 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_102515433106_100015525214 [0,2,0,0,0,0|1,0,0]=3 13223 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,2,0,0,0,0|0,0,0]=2 13224 B14R0.393 CCNN=CCCCCCC(=O)OCC 4a_100000756455_100000085164 [0,2,0,0,0,0|0,0,1]=3 13225 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 2230a_100000762737_100016267167 [0,2,0,0,0,0|0,0,2]=4 13226 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 34a_100000762737_100016267167 [0,2,0,0,0,0|0,0,2]=4 13227 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 34a_100000746331_100016267167 [0,2,0,0,0,0|0,0,2]=4 13228 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 7a_100000746331_100016267167 [0,2,0,0,0,0|0,0,2]=4 13229 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 34a_100000746330_100016267167 [0,2,0,0,0,0|0,0,2]=4 13230 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 7a_100000746330_100016267167 [0,2,0,0,0,0|0,0,2]=4 13231 B14R0.393 CCOC(=O)/C=C/COCCCCCI 34a_200012148887_100016267167 [0,2,0,0,0,0|0,0,2]=4 13232 B14R0.393 CCOC(=O)/C=C/COCCCCCI 7a_200012148887_100016267167 [0,2,0,0,0,0|0,0,2]=4 13233 B14R0.393 CCOC(=O)/C=C/COCCCCCN 34a_100000762737_100016267167 [0,2,0,0,0,0|0,0,2]=4 13234 B14R0.393 CCOC(=O)/C=C/COCCCCOC 34a_100000740925_100016267167 [0,2,0,0,0,0|0,0,2]=4 13235 B14R0.393 CCOC(=O)/C=C/COCCCCSC 34a_100011217163_100016267167 [0,2,0,0,0,0|0,0,2]=4 13236 B14R0.393 CCOC(=O)/C=C/COCCCCSC 7a_100011217163_100016267167 [0,2,0,0,0,0|0,0,2]=4 13237 B14R0.393 CCOC(=O)/C=C/COCCCSCC 34a_100011216438_100016267167 [0,2,0,0,0,0|0,0,2]=4 13238 B14R0.393 CCOC(=O)/C=C/COCCCSCC 7a_100011216438_100016267167 [0,2,0,0,0,0|0,0,2]=4 13239 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100000729378_100016267167 [0,2,0,0,0,0|0,0,2]=4 13240 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100016267167_100000729378 [0,2,0,0,0,0|0,0,2]=4 13241 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100000746330_100016267167 [0,2,0,0,0,0|0,0,2]=4 13242 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100016267167_100000746330 [0,2,0,0,0,0|0,0,2]=4 13243 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100000730899_100016267167 [0,2,0,0,0,0|0,0,2]=4 13244 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100016267167_100000730899 [0,2,0,0,0,0|0,0,2]=4 13245 B14R0.393 CCOC(=O)CCCCC=NNCCO 4a_100000210001_100012182868 [0,2,0,0,0,0|1,0,1]=4 13246 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,2,0,0,0,0|0,0,0]=2 13247 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,2,0,0,0,0|0,0,0]=2 13248 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,2,0,0,0,0|0,0,0]=2 13249 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,2,0,0,0,0|0,0,0]=2 13250 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,2,0,0,0,0|0,0,0]=2 13251 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,2,0,0,0,0|0,0,0]=2 13252 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,2,0,0,0,0|0,0,0]=2 13253 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,2,0,0,0,0|0,0,0]=2 13254 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,2,0,0,0,0|0,0,0]=2 13255 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,2,0,0,0,0|0,0,0]=2 13256 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,2,0,0,0,0|0,0,0]=2 13257 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,2,0,0,0,0|0,0,0]=2 13258 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,2,0,0,0,0|0,0,0]=2 13259 B14R0.393 CCOC(=O)CCCCCCSCC#N 62a_100011215382_100009814379 [0,2,0,0,0,0|0,0,1]=3 13260 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [0,2,0,0,0,0|0,0,1]=3 13261 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,2,0,0,0,0|0,0,0]=2 13262 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,2,0,0,0,0|0,0,0]=2 13263 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,2,0,0,0,0|0,0,0]=2 13264 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,2,0,0,0,0|0,0,0]=2 13265 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,2,0,0,0,0|0,0,0]=2 13266 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,2,0,0,0,0|0,0,0]=2 13267 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,2,0,0,0,0|0,0,0]=2 13268 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,2,0,0,0,0|0,0,0]=2 13269 B14R0.393 CCOC(=O)CCCCCOCCC#N 7a_100011214988_100000184422 [0,2,0,0,0,0|0,0,1]=3 13270 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,2,0,0,0,0|0,0,0]=2 13271 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,2,0,0,0,0|0,0,0]=2 13272 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,2,0,0,0,0|0,0,0]=2 13273 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,2,0,0,0,0|0,0,0]=2 13274 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,2,0,0,0,0|0,0,0]=2 13275 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,2,0,0,0,0|0,0,0]=2 13276 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,2,0,0,0,0|0,0,0]=2 13277 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,2,0,0,0,0|0,0,0]=2 13278 B14R0.393 CCOC(=O)CCCCCOCCON 34a_100000700252_100000755133 [0,2,0,0,0,0|1,0,0]=3 13279 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,2,0,0,0,0|0,0,0]=2 13280 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,2,0,0,0,0|0,0,0]=2 13281 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,2,0,0,0,0|0,0,0]=2 13282 B14R0.393 CCOC(=O)CCCCCSCCC#N 62a_100000755133_100011215226 [0,2,0,0,0,0|0,0,1]=3 13283 B14R0.393 CCOC(=O)CCCCCSCCC#N 62a_100011215226_100000755133 [0,2,0,0,0,0|0,0,1]=3 13284 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,2,0,0,0,0|0,0,0]=2 13285 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,2,0,0,0,0|0,0,0]=2 13286 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,2,0,0,0,0|0,0,0]=2 13287 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,2,0,0,0,0|0,0,0]=2 13288 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,2,0,0,0,0|0,0,0]=2 13289 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,2,0,0,0,0|0,0,0]=2 13290 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,2,0,0,0,0|0,0,0]=2 13291 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,2,0,0,0,0|0,0,0]=2 13292 B14R0.393 CCOC(=O)CCCCCSCSC#N 62a_100000211825_100000755133 [0,2,0,0,0,0|1,0,1]=4 13293 B14R0.393 CCOC(=O)CCCCCSCSC#N 62a_100000755133_100000211825 [0,2,0,0,0,0|1,0,1]=4 13294 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,2,0,0,0,0|0,0,0]=2 13295 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,2,0,0,0,0|0,0,0]=2 13296 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,2,0,0,0,0|0,0,0]=2 13297 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,2,0,0,0,0|0,0,0]=2 13298 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,2,0,0,0,0|0,0,0]=2 13299 B14R0.393 CCOC(=O)CCCCOCC#CCCl 34a_200000047223_100000750268 [0,2,0,0,0,0|0,0,2]=4 13300 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,2,0,0,0,0|0,0,0]=2 13301 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,2,0,0,0,0|0,0,0]=2 13302 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,2,0,0,0,0|0,0,0]=2 13303 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,2,0,0,0,0|0,0,0]=2 13304 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,2,0,0,0,0|0,0,0]=2 13305 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,2,0,0,0,0|0,0,0]=2 13306 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,2,0,0,0,0|0,0,0]=2 13307 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,2,0,0,0,0|0,0,0]=2 13308 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,2,0,0,0,0|0,0,0]=2 13309 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,2,0,0,0,0|0,0,0]=2 13310 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,2,0,0,0,0|0,0,0]=2 13311 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,2,0,0,0,0|0,0,0]=2 13312 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,2,0,0,0,0|0,0,0]=2 13313 B14R0.393 CCOC(=O)CCCCSCC#CCO 62a_100000750268_200000047223 [0,2,0,0,0,0|0,0,2]=4 13314 B14R0.393 CCOC(=O)CCCCSCC#CCO 62a_200000047223_100000750268 [0,2,0,0,0,0|0,0,2]=4 13315 B14R0.393 CCOC(=O)CCCCSCCCC#N 62a_100000687738_100000750268 [0,2,0,0,0,0|0,0,1]=3 13316 B14R0.393 CCOC(=O)CCCCSCCCC#N 62a_100000750268_100000687738 [0,2,0,0,0,0|0,0,1]=3 13317 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [0,2,0,0,0,0|0,0,1]=3 13318 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [0,2,0,0,0,0|0,0,1]=3 13319 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,2,0,0,0,0|0,0,0]=2 13320 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,2,0,0,0,0|0,0,0]=2 13321 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,2,0,0,0,0|0,0,0]=2 13322 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,2,0,0,0,0|0,0,0]=2 13323 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,2,0,0,0,0|0,0,0]=2 13324 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,2,0,0,0,0|0,0,0]=2 13325 B14R0.393 CCOC(=O)CCCCSCCSC#N 62a_100000034367_100000750268 [0,2,0,0,0,0|1,0,1]=4 13326 B14R0.393 CCOC(=O)CCCCSCCSC#N 62a_100000750268_100000034367 [0,2,0,0,0,0|1,0,1]=4 13327 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,2,0,0,0,0|0,0,0]=2 13328 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,2,0,0,0,0|0,0,0]=2 13329 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,2,0,0,0,0|0,0,0]=2 13330 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,2,0,0,0,0|0,0,0]=2 13331 B14R0.393 CCOC(=O)CCCNCCCN=[N+]=[N-] 2230a_100000744732_100009991533 [0,2,0,0,0,0|2,0,0]=4 13332 B14R0.393 CCOC(=O)CCCNCCOCCO 2230a_100000211614_100009991533 [0,2,0,0,0,0|1,0,0]=3 13333 B14R0.393 CCOC(=O)CCCNCCOCCO 34a_100000211614_100009991533 [0,2,0,0,0,0|1,0,0]=3 13334 B14R0.393 CCOC(=O)CCCNCCSCCO 2230a_100011219999_100009991533 [0,2,0,0,0,0|1,0,0]=3 13335 B14R0.393 CCOC(=O)CCCOCCCCC#N 7a_100012001163_100000211819 [0,2,0,0,0,0|0,0,1]=3 13336 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,2,0,0,0,0|0,0,1]=3 13337 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,2,0,0,0,0|0,0,0]=2 13338 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,2,0,0,0,0|0,0,0]=2 13339 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,2,0,0,0,0|0,0,0]=2 13340 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,2,0,0,0,0|0,0,0]=2 13341 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,2,0,0,0,0|0,0,0]=2 13342 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,2,0,0,0,0|0,0,0]=2 13343 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,2,0,0,0,0|0,0,0]=2 13344 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,2,0,0,0,0|0,0,0]=2 13345 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,2,0,0,0,0|0,0,0]=2 13346 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,2,0,0,0,0|0,0,0]=2 13347 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,2,0,0,0,0|0,0,0]=2 13348 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,2,0,0,0,0|0,0,0]=2 13349 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,2,0,0,0,0|0,0,0]=2 13350 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,2,0,0,0,0|0,0,0]=2 13351 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,2,0,0,0,0|0,0,0]=2 13352 B14R0.393 CCOC(=O)CCCOCCOCC#N 7a_100012001163_200000047693 [0,2,0,0,0,0|1,0,1]=4 13353 B14R0.393 CCOC(=O)CCCOCCOCCBr 34a_100000692535_100009991533 [0,2,0,0,0,0|1,0,0]=3 13354 B14R0.393 CCOC(=O)CCCOCCOCCBr 7a_100000692535_100011215271 [0,2,0,0,0,0|1,0,0]=3 13355 B14R0.393 CCOC(=O)CCCOCCOCCCl 34a_100011215305_100009991533 [0,2,0,0,0,0|1,0,0]=3 13356 B14R0.393 CCOC(=O)CCCOCCOCCCl 7a_100011215305_100011215271 [0,2,0,0,0,0|1,0,0]=3 13357 B14R0.393 CCOC(=O)CCCOCCOCCF 34a_200015357709_100009991533 [0,2,0,0,0,0|1,0,0]=3 13358 B14R0.393 CCOC(=O)CCCOCCOCCF 7a_200015357709_100011215271 [0,2,0,0,0,0|1,0,0]=3 13359 B14R0.393 CCOC(=O)CCCOCCOCCI 34a_100012149058_100009991533 [0,2,0,0,0,0|1,0,0]=3 13360 B14R0.393 CCOC(=O)CCCOCCOCCI 7a_100012149058_100011215271 [0,2,0,0,0,0|1,0,0]=3 13361 B14R0.393 CCOC(=O)CCCOCCOCCN 34a_100000211614_100009991533 [0,2,0,0,0,0|1,0,0]=3 13362 B14R0.393 CCOC(=O)CCCOCCOCCO 7a_100012001163_100011215305 [0,2,0,0,0,0|1,0,0]=3 13363 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100009991533_100000211819 [0,2,0,0,0,0|0,0,1]=3 13364 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100011219923_100009991533 [0,2,0,0,0,0|0,0,1]=3 13365 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,2,0,0,0,0|0,0,1]=3 13366 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,2,0,0,0,0|0,0,1]=3 13367 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,2,0,0,0,0|0,0,0]=2 13368 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,2,0,0,0,0|0,0,0]=2 13369 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,2,0,0,0,0|0,0,0]=2 13370 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,2,0,0,0,0|0,0,0]=2 13371 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,2,0,0,0,0|0,0,0]=2 13372 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,2,0,0,0,0|0,0,0]=2 13373 B14R0.393 CCOC(=O)CCCSCCOCC#N 62a_100009991533_200000047693 [0,2,0,0,0,0|1,0,1]=4 13374 B14R0.393 CCOC(=O)CCCSCCOCC#N 62a_200000047693_100009991533 [0,2,0,0,0,0|1,0,1]=4 13375 B14R0.393 CCOC(=O)CCCSCCOCCO 62a_100009991533_100011215305 [0,2,0,0,0,0|1,0,0]=3 13376 B14R0.393 CCOC(=O)CCCSCCOCCO 62a_100011215305_100009991533 [0,2,0,0,0,0|1,0,0]=3 13377 B14R0.393 CCOC(=O)CCCSCOCCOC 62a_100000231047_100009991533 [0,2,0,0,0,0|1,0,0]=3 13378 B14R0.393 CCOC(=O)CCCSCOCCOC 62a_100009991533_100000231047 [0,2,0,0,0,0|1,0,0]=3 13379 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,2,0,0,0,0|0,0,0]=2 13380 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,2,0,0,0,0|0,0,0]=2 13381 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,2,0,0,0,0|0,0,0]=2 13382 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,2,0,0,0,0|0,0,0]=2 13383 B14R0.393 CCOC(=O)CCNCCCCN=[N+]=[N-] 2230a_100000101370_100011206558 [0,2,0,0,0,0|2,0,0]=4 13384 B14R0.393 CCOC(=O)CCNCCOCCOC 2230a_100000745349_100011206558 [0,2,0,0,0,0|1,0,0]=3 13385 B14R0.393 CCOC(=O)CCNCCOCCOC 34a_100000745349_100000765890 [0,2,0,0,0,0|1,0,0]=3 13386 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,2,0,0,0,0|0,0,0]=2 13387 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,2,0,0,0,0|0,0,0]=2 13388 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,2,0,0,0,0|0,0,0]=2 13389 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,2,0,0,0,0|0,0,0]=2 13390 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,2,0,0,0,0|0,0,0]=2 13391 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,2,0,0,0,0|0,0,0]=2 13392 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,2,0,0,0,0|0,0,0]=2 13393 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,2,0,0,0,0|0,0,0]=2 13394 B14R0.393 CCOC(=O)CCOCCOCCNC 34a_100000228057_100000765890 [0,2,0,0,0,0|1,0,0]=3 13395 B14R0.393 CCOC(=O)CCOCCOCCOC 34a_100010737887_200000210301 [0,2,0,0,0,0|1,0,0]=3 13396 B14R0.393 CCOC(=O)CCOCCOCCOC 34a_100011215163_100000765890 [0,2,0,0,0,0|1,0,0]=3 13397 B14R0.393 CCOC(=O)CCOCCOCCOC 7a_100010737887_200000210301 [0,2,0,0,0,0|1,0,0]=3 13398 B14R0.393 CCOC(=O)CCOCCOCCOC 7a_100011215163_100011206558 [0,2,0,0,0,0|1,0,0]=3 13399 B14R0.393 CCOC(=O)CCOCCOCCO[13CH3] 34a_100010737887_200025704644 [0,2,0,0,0,0|1,0,0]=3 13400 B14R0.393 CCOC(=O)CCOCCOCCO[13CH3] 7a_100010737887_200025704644 [0,2,0,0,0,0|1,0,0]=3 13401 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100000765890_100009813376 [0,2,0,0,0,0|0,0,1]=3 13402 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100009813376_100000765890 [0,2,0,0,0,0|0,0,1]=3 13403 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,2,0,0,0,0|0,0,1]=3 13404 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,2,0,0,0,0|0,0,1]=3 13405 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,2,0,0,0,0|0,0,0]=2 13406 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,2,0,0,0,0|0,0,0]=2 13407 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,2,0,0,0,0|0,0,0]=2 13408 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,2,0,0,0,0|0,0,0]=2 13409 B14R0.393 CCOC(=O)CCSCCOCCOC 62a_100000695917_100000765890 [0,2,0,0,0,0|1,0,0]=3 13410 B14R0.393 CCOC(=O)CCSCCOCCOC 62a_100000765890_100000695917 [0,2,0,0,0,0|1,0,0]=3 13411 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,2,0,0,0,0|0,0,0]=2 13412 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,2,0,0,0,0|0,0,0]=2 13413 B14R0.393 CCOC(=O)CNCCCOCCCO 2230a_100011310245_100000188475 [0,2,0,0,0,0|1,0,0]=3 13414 B14R0.393 CCOC(=O)CNCCCOCCCO 34a_100011310245_100000188475 [0,2,0,0,0,0|1,0,0]=3 13415 B14R0.393 CCOC(=O)CNCCCOCCOC 2230a_100000206027_100000188475 [0,2,0,0,0,0|1,0,0]=3 13416 B14R0.393 CCOC(=O)CNCCCOCCOC 34a_100000206027_100000188475 [0,2,0,0,0,0|1,0,0]=3 13417 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,2,0,0,0,0|0,0,0]=2 13418 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,2,0,0,0,0|0,0,0]=2 13419 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,2,0,0,0,0|0,0,0]=2 13420 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,2,0,0,0,0|0,0,0]=2 13421 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,2,0,0,0,0|0,0,0]=2 13422 B14R0.393 CCOC(=O)COCCCNCCCF 2230a_100015189416_100009893628 [0,2,0,0,0,0|1,0,0]=3 13423 B14R0.393 CCOC(=O)COCCCNCCCF 34a_100015189416_100009893628 [0,2,0,0,0,0|1,0,0]=3 13424 B14R0.393 CCOC(=O)COCCCNCCOC 2230a_100000209980_100009893628 [0,2,0,0,0,0|1,0,0]=3 13425 B14R0.393 CCOC(=O)COCCCNCCSC 2230a_100020590264_100009893628 [0,2,0,0,0,0|1,0,0]=3 13426 B14R0.393 CCOC(=O)COCCCOCCCBr 34a_100011217188_100009893628 [0,2,0,0,0,0|1,0,0]=3 13427 B14R0.393 CCOC(=O)COCCCOCCCCl 34a_100000230001_100009893628 [0,2,0,0,0,0|1,0,0]=3 13428 B14R0.393 CCOC(=O)COCCCOCCCF 34a_100000759539_100009893628 [0,2,0,0,0,0|1,0,0]=3 13429 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100000182051_100009893628 [0,2,0,0,0,0|1,0,0]=3 13430 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100011310245_100000188475 [0,2,0,0,0,0|1,0,0]=3 13431 B14R0.393 CCOC(=O)COCCCOCCOC 34a_100000210237_100009893628 [0,2,0,0,0,0|1,0,0]=3 13432 B14R0.393 CCOC(=O)COCCCOCCON 34a_100000700252_100009893628 [0,2,0,0,0,0|2,0,0]=4 13433 B14R0.393 CCOC(=O)COCCCOCCSC 34a_100000230434_100009893628 [0,2,0,0,0,0|1,0,0]=3 13434 B14R0.393 CCOC(=O)COCCCOCCSC 7a_100000230434_100009893628 [0,2,0,0,0,0|1,0,0]=3 13435 B14R0.393 CCOC(=O)COCCCSCCC#N 62a_100009893628_100011215226 [0,2,0,0,0,0|1,0,1]=4 13436 B14R0.393 CCOC(=O)COCCCSCCC#N 62a_100011215226_100009893628 [0,2,0,0,0,0|1,0,1]=4 13437 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100009893628_100011934791 [0,2,0,0,0,0|1,0,0]=3 13438 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100011934791_100009893628 [0,2,0,0,0,0|1,0,0]=3 13439 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100009893628_100011215043 [0,2,0,0,0,0|1,0,0]=3 13440 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100011215043_100009893628 [0,2,0,0,0,0|1,0,0]=3 13441 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100000233755_100009893628 [0,2,0,0,0,0|1,0,0]=3 13442 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100009893628_100000233755 [0,2,0,0,0,0|1,0,0]=3 13443 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100000212216_100009893628 [0,2,0,0,0,0|1,0,0]=3 13444 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100009893628_100000751147 [0,2,0,0,0,0|1,0,0]=3 13445 B14R0.393 CCOC(=O)COCCNCCCCO 2230a_100000750430_100000088970 [0,2,0,0,0,0|1,0,0]=3 13446 B14R0.393 CCOC(=O)COCCNCCCCO 34a_100000750430_100000088970 [0,2,0,0,0,0|1,0,0]=3 13447 B14R0.393 CCOC(=O)COCCNCCCOC 34a_100150723488_100000088970 [0,2,0,0,0,0|1,0,0]=3 13448 B14R0.393 CCOC(=O)COCCNCCCSC 2230a_100000749238_100000088970 [0,2,0,0,0,0|1,0,0]=3 13449 B14R0.393 CCOC(=O)COCCNCCSCC 2230a_100000106463_100000088970 [0,2,0,0,0,0|1,0,0]=3 13450 B14R0.393 CCOC(=O)COCCOCCCCBr 34a_100011216708_100000088970 [0,2,0,0,0,0|1,0,0]=3 13451 B14R0.393 CCOC(=O)COCCOCCCCCl 34a_100000210776_100000088970 [0,2,0,0,0,0|1,0,0]=3 13452 B14R0.393 CCOC(=O)COCCOCCCCCl 7a_100000210776_100000088970 [0,2,0,0,0,0|1,0,0]=3 13453 B14R0.393 CCOC(=O)COCCOCCCCF 34a_100011995726_100000088970 [0,2,0,0,0,0|1,0,0]=3 13454 B14R0.393 CCOC(=O)COCCOCCCCF 7a_100011995726_100000088970 [0,2,0,0,0,0|1,0,0]=3 13455 B14R0.393 CCOC(=O)COCCOCCCCI 34a_200012148704_100000088970 [0,2,0,0,0,0|1,0,0]=3 13456 B14R0.393 CCOC(=O)COCCOCCCCN 34a_100000750430_100000088970 [0,2,0,0,0,0|1,0,0]=3 13457 B14R0.393 CCOC(=O)COCCOCCCNC 34a_100000213112_100000088970 [0,2,0,0,0,0|1,0,0]=3 13458 B14R0.393 CCOC(=O)COCCOCCCOC 34a_100000740835_100000088970 [0,2,0,0,0,0|1,0,0]=3 13459 B14R0.393 CCOC(=O)COCCOCCCSC 34a_100000690336_100000088970 [0,2,0,0,0,0|1,0,0]=3 13460 B14R0.393 CCOC(=O)COCCOCCCSC 7a_100000690336_100000088970 [0,2,0,0,0,0|1,0,0]=3 13461 B14R0.393 CCOC(=O)COCCOCCSCC 34a_100000212035_100000088970 [0,2,0,0,0,0|1,0,0]=3 13462 B14R0.393 CCOC(=O)COCCOCCSCC 7a_100000212035_100000088970 [0,2,0,0,0,0|1,0,0]=3 13463 B14R0.393 CCOC(=O)COCCSCCCC#N 62a_100000088970_100000687738 [0,2,0,0,0,0|1,0,1]=4 13464 B14R0.393 CCOC(=O)COCCSCCCC#N 62a_100000687738_100000088970 [0,2,0,0,0,0|1,0,1]=4 13465 B14R0.393 CCOC(=O)COCCSCCCC=O 62a_100000088970_200011292268 [0,2,0,0,0,0|1,0,1]=4 13466 B14R0.393 CCOC(=O)COCCSCCCC=O 62a_200011292268_100000088970 [0,2,0,0,0,0|1,0,1]=4 13467 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000088970_100000729493 [0,2,0,0,0,0|1,0,0]=3 13468 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000729493_100000088970 [0,2,0,0,0,0|1,0,0]=3 13469 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000088970_100000210776 [0,2,0,0,0,0|1,0,0]=3 13470 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000210776_100000088970 [0,2,0,0,0,0|1,0,0]=3 13471 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000088970_100000709357 [0,2,0,0,0,0|1,0,0]=3 13472 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000709357_100000088970 [0,2,0,0,0,0|1,0,0]=3 13473 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000088970_100000757381 [0,2,0,0,0,0|1,0,0]=3 13474 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000757381_100000088970 [0,2,0,0,0,0|1,0,0]=3 13475 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100000188475_100009813337 [0,2,0,0,0,0|0,0,1]=3 13476 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100009813337_100000188475 [0,2,0,0,0,0|0,0,1]=3 13477 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,2,0,0,0,0|0,0,0]=2 13478 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,2,0,0,0,0|0,0,0]=2 13479 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,2,0,0,0,0|0,0,0]=2 13480 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,2,0,0,0,0|0,0,0]=2 13481 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100000188475_100011216529 [0,2,0,0,0,0|1,0,0]=3 13482 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100011216529_100000188475 [0,2,0,0,0,0|1,0,0]=3 13483 B14R0.393 CCOC(=O)CSCCOCCCC#N 7a_200000230590_100000687738 [0,2,0,0,0,0|1,0,1]=4 13484 B14R0.393 CCOC(=O)CSCCOCCCC=O 7a_200000230590_200011292268 [0,2,0,0,0,0|1,0,1]=4 13485 B14R0.393 CCOC(=O)CSCCOCCCCF 7a_200000230590_100000729493 [0,2,0,0,0,0|1,0,0]=3 13486 B14R0.393 CCOC(=O)CSCCOCCCCO 7a_200000230590_100000210776 [0,2,0,0,0,0|1,0,0]=3 13487 B14R0.393 CCOC(=O)CSCCOCCCOC 7a_200000230590_100000740836 [0,2,0,0,0,0|1,0,0]=3 13488 B14R0.393 CCOC(=O)CSCCOCCSCC 7a_200000230590_100000757381 [0,2,0,0,0,0|1,0,0]=3 13489 B14R0.393 CCOC(=O)NCCOCCCCCBr 7a_100000746331_200011445536 [0,2,0,0,0,0|1,0,0]=3 13490 B14R0.393 CCOC(=O)NCCOCCCCCCl 7a_100000746330_200011445536 [0,2,0,0,0,0|1,0,0]=3 13491 B14R0.393 CCOC(=O)NCCOCCCCCF 34a_100000158857_100000729378 [0,2,0,0,0,0|1,0,0]=3 13492 B14R0.393 CCOC(=O)NCCOCCCCCI 7a_200012148887_200011445536 [0,2,0,0,0,0|1,0,0]=3 13493 B14R0.393 CCOC(=O)NCCOCCCCCO 34a_100000158857_100000746330 [0,2,0,0,0,0|1,0,0]=3 13494 B14R0.393 CCOC(=O)NCCOCCCCOC 34a_100000158857_100000755781 [0,2,0,0,0,0|1,0,0]=3 13495 B14R0.393 CCOC(=O)NCCOCCCCSC 7a_100011217163_200011445536 [0,2,0,0,0,0|1,0,0]=3 13496 B14R0.393 CCOC(=O)NCCOCCCSCC 7a_100011216438_200011445536 [0,2,0,0,0,0|1,0,0]=3 13497 B14R0.393 CCOC(=O)NCCOCCOCCBr 7a_100000692535_200011445536 [0,2,0,0,0,0|2,0,0]=4 13498 B14R0.393 CCOC(=O)NCCOCCOCCCl 7a_100011215305_200011445536 [0,2,0,0,0,0|2,0,0]=4 13499 B14R0.393 CCOC(=O)NCCOCCOCCF 7a_200015357709_200011445536 [0,2,0,0,0,0|2,0,0]=4 13500 B14R0.393 CCOC(=O)NCCOCCOCCI 7a_100012149058_200011445536 [0,2,0,0,0,0|2,0,0]=4 13501 B14R0.393 CCOC(=O)NCCOCCOCCO 34a_100000158857_100000692535 [0,2,0,0,0,0|2,0,0]=4 13502 B14R0.393 CCOC(=O)NCCSCCCCC#N 62a_100011219923_200011445536 [0,2,0,0,0,0|1,0,1]=4 13503 B14R0.393 CCOC(=O)NCCSCCCCC=O 62a_100000139335_200011445536 [0,2,0,0,0,0|1,0,1]=4 13504 B14R0.393 CCOC(=O)NCCSCCCCCF 62a_100000729378_200011445536 [0,2,0,0,0,0|1,0,0]=3 13505 B14R0.393 CCOC(=O)NCCSCCCCCO 62a_100000746330_200011445536 [0,2,0,0,0,0|1,0,0]=3 13506 B14R0.393 CCOC(=O)NCCSCCCCOC 62a_100000730899_200011445536 [0,2,0,0,0,0|1,0,0]=3 13507 B14R0.393 CCOC(=O)NCCSCCOCCO 62a_100011215305_200011445536 [0,2,0,0,0,0|2,0,0]=4 13508 B14R0.393 CCOC(=O)NCCSCOCCOC 62a_100000231047_200011445536 [0,2,0,0,0,0|2,0,0]=4 13509 B14R0.393 CCOC(=O)OCSCCCCCC#N 62a_100009813376_100000075025 [0,2,0,0,0,0|1,0,1]=4 13510 B14R0.393 CCOC(=O)OCSCCCCCC=O 62a_100000139337_100000075025 [0,2,0,0,0,0|1,0,1]=4 13511 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,2,0,0,0,0|1,0,0]=3 13512 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,2,0,0,0,0|1,0,0]=3 13513 B14R0.393 CCOC(=O)OCSCCOCCOC 62a_100000695917_100000075025 [0,2,0,0,0,0|2,0,0]=4 13514 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,2,0,0,0,0|0,0,0]=2 13515 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 2230a_100000210961_100016267167 [0,2,0,0,0,0|0,0,2]=4 13516 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 34a_100000210961_100016267167 [0,2,0,0,0,0|0,0,2]=4 13517 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,2,0,0,0,0|0,0,0]=2 13518 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,2,0,0,0,0|0,0,0]=2 13519 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 34a_100000757476_100016267167 [0,2,0,0,0,0|0,0,2]=4 13520 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 7a_100000757476_100016267167 [0,2,0,0,0,0|0,0,2]=4 13521 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,2,0,0,0,0|0,0,0]=2 13522 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,2,0,0,0,0|0,0,0]=2 13523 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,2,0,0,0,0|0,0,0]=2 13524 B14R0.393 CCOCCCOCCNC(=O)OCC 34a_100000158857_100012232248 [0,2,0,0,0,0|1,0,0]=3 13525 B14R0.393 CCOCCCOCCNC(=O)OCC 7a_100000757476_200011445536 [0,2,0,0,0,0|1,0,0]=3 13526 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100012232248_100016267167 [0,2,0,0,0,0|0,0,2]=4 13527 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100016267167_100012232248 [0,2,0,0,0,0|0,0,2]=4 13528 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,2,0,0,0,0|0,0,0]=2 13529 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,2,0,0,0,0|0,0,0]=2 13530 B14R0.393 CCOCCCSCCNC(=O)OCC 62a_100012232248_200011445536 [0,2,0,0,0,0|1,0,0]=3 13531 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,2,0,0,0,0|0,0,0]=2 13532 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,2,0,0,0,0|0,0,0]=2 13533 B14R0.393 CCOCCNCCOCC(=O)OCC 2230a_102516460346_100000088970 [0,2,0,0,0,0|1,0,0]=3 13534 B14R0.393 CCOCCNCCOCC(=O)OCC 34a_102516460346_100000088970 [0,2,0,0,0,0|1,0,0]=3 13535 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,2,0,0,0,0|0,0,0]=2 13536 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,2,0,0,0,0|0,0,0]=2 13537 B14R0.393 CCOCCOCCNCC(=O)OCC 2230a_100102712874_100000188475 [0,2,0,0,0,0|1,0,0]=3 13538 B14R0.393 CCOCCOCCNCC(=O)OCC 34a_100102712874_100000188475 [0,2,0,0,0,0|1,0,0]=3 13539 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210136_100000088970 [0,2,0,0,0,0|1,0,0]=3 13540 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210240_100000188475 [0,2,0,0,0,0|1,0,0]=3 13541 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210136_100000088970 [0,2,0,0,0,0|1,0,0]=3 13542 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210240_100000188475 [0,2,0,0,0,0|1,0,0]=3 13543 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100000188475_100011211534 [0,2,0,0,0,0|1,0,0]=3 13544 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100011211534_100000188475 [0,2,0,0,0,0|1,0,0]=3 13545 B14R0.393 CCOCCOCCSCC(=O)OCC 7a_200000230590_100011215890 [0,2,0,0,0,0|1,0,0]=3 13546 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,2,0,0,0,0|0,0,0]=2 13547 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,2,0,0,0,0|0,0,0]=2 13548 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000088970_100011215890 [0,2,0,0,0,0|1,0,0]=3 13549 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000210147_100000088970 [0,2,0,0,0,0|1,0,0]=3 13550 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,2,0,0,0,0|0,0,0]=2 13551 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,2,0,0,0,0|0,0,0]=2 13552 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100000739092_100009893628 [0,2,0,0,0,0|1,0,0]=3 13553 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100009893628_100000739092 [0,2,0,0,0,0|1,0,0]=3 13554 B14R0.393 CNNC(=O)CCCCCCCCCF 22a_100016993582_200009909015 [0,2,0,0,0,0|2,0,0]=4 13555 B14R0.393 CNNC(=O)CCCCCCCCCO 22a_100016993582_100000032657 [0,2,0,0,0,0|2,0,0]=4 13556 B14R0.393 CNNC(=O)NCCCCCCCCO 273464a_102515433106_100016993582 [0,2,0,0,0,0|2,0,0]=4 13557 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_100016993582_102515433106 [0,2,0,0,0,0|2,0,0]=4 13558 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_102515433106_100016993582 [0,2,0,0,0,0|2,0,0]=4 13559 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,2,0,0,0,0|2,0,0]=4 13560 B14R0.393 COCC(=O)NCCCCCCCCO 240690a_102515433106_100000210968 [0,2,0,0,0,0|2,0,0]=4 13561 B14R0.393 COCCCCCCOCC(=O)NCO 34a_200012092642_100000185155 [0,2,0,0,0,0|2,0,0]=4 13562 B14R0.393 COCCCCCCOCC(=O)NCO 7a_200012092642_100000185155 [0,2,0,0,0,0|2,0,0]=4 13563 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100000185155_100011998445 [0,2,0,0,0,0|2,0,0]=4 13564 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100011998445_100000185155 [0,2,0,0,0,0|2,0,0]=4 13565 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [0,2,0,0,0,0|2,0,0]=4 13566 B14R0.393 CSCC(=O)NCCCCCCCCO 240690a_102515433106_100000184570 [0,2,0,0,0,0|2,0,0]=4 13567 B14R0.393 NCCCCCCCOCC(=O)NCO 34a_100011996573_100000185155 [0,2,0,0,0,0|2,0,0]=4 13568 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [0,2,0,0,0,0|2,0,0]=4 13569 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,2,0,0,0,0|2,0,0]=4 13570 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,2,0,0,0,0|2,0,0]=4 13571 B14R0.393 O=C(CCO)NCCCCCCCCO 240690a_102515433106_100011216618 [0,2,0,0,0,0|2,0,0]=4 13572 B14R0.393 O=C(CNCCCCCCCO)NCO 2230a_100011996573_100000185155 [0,2,0,0,0,0|2,0,0]=4 13573 B14R0.393 O=C(CNCCCCCCCO)NCO 34a_100011996573_100000185155 [0,2,0,0,0,0|2,0,0]=4 13574 B14R0.393 O=C(COCCCCCCCBr)NCO 34a_100000760002_100000185155 [0,2,0,0,0,0|2,0,0]=4 13575 B14R0.393 O=C(COCCCCCCCBr)NCO 7a_100000760002_100000185155 [0,2,0,0,0,0|2,0,0]=4 13576 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000185155_100000760002 [0,2,0,0,0,0|2,0,0]=4 13577 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000760002_100000185155 [0,2,0,0,0,0|2,0,0]=4 13578 B14R0.432 C=C(Br)CCOCCCCC(=O)OCC 34a_100009813270_100000750268 [0,2,0,0,0,0|0,0,2]=4 13579 B14R0.432 C=C(C)CCOCCCCC(=O)OCC 34a_100000764851_100000750268 [0,2,0,0,0,0|0,0,1]=3 13580 B14R0.432 C=C(C)CCOCCOCC(=O)OCC 34a_100000764851_100000088970 [0,2,0,0,0,0|1,0,1]=4 13581 B14R0.432 C=C(C)CCOCCSCC(=O)OCC 7a_200000230590_100000730704 [0,2,0,0,0,0|1,0,1]=4 13582 B14R0.432 C=C(C)CCSCCCCC(=O)OCC 62a_100000730704_100000750268 [0,2,0,0,0,0|0,0,1]=3 13583 B14R0.432 C=C(C)CCSCCCCC(=O)OCC 62a_100000750268_100000730704 [0,2,0,0,0,0|0,0,1]=3 13584 B14R0.432 C=C(C)CCSCCOCC(=O)OCC 62a_100000088970_100000730704 [0,2,0,0,0,0|1,0,1]=4 13585 B14R0.432 C=C(C)CCSCCOCC(=O)OCC 62a_100000730704_100000088970 [0,2,0,0,0,0|1,0,1]=4 13586 B14R0.432 C=C(C)COCCCCCC(=O)OCC 34a_100000210245_100000755133 [0,2,0,0,0,0|0,0,1]=3 13587 B14R0.432 C=C(C)COCCCCCC(=O)OCC 7a_100011214988_100000748629 [0,2,0,0,0,0|0,0,1]=3 13588 B14R0.432 C=C(C)COCCCOCC(=O)OCC 34a_100000210245_100009893628 [0,2,0,0,0,0|1,0,1]=4 13589 B14R0.432 C=C(C)CSCCCCCC(=O)OCC 62a_100000748629_100000755133 [0,2,0,0,0,0|0,0,1]=3 13590 B14R0.432 C=C(C)CSCCCCCC(=O)OCC 62a_100000755133_100000211660 [0,2,0,0,0,0|0,0,1]=3 13591 B14R0.432 C=C(C)CSCCCOCC(=O)OCC 62a_100000748629_100009893628 [0,2,0,0,0,0|1,0,1]=4 13592 B14R0.432 C=C(C)CSCCCOCC(=O)OCC 62a_100009893628_100000211660 [0,2,0,0,0,0|1,0,1]=4 13593 B14R0.432 C=C(F)COCCCCCC(=O)OCC 34a_200010262243_100000755133 [0,2,0,0,0,0|0,0,2]=4 13594 B14R0.432 C=C(F)COCCCCCC(=O)OCC 7a_100011214988_100000042424 [0,2,0,0,0,0|0,0,2]=4 13595 B14R0.432 C=C(F)CSCCCCCC(=O)OCC 62a_100000042424_100000755133 [0,2,0,0,0,0|0,0,2]=4 13596 B14R0.432 C=C(F)CSCCCCCC(=O)OCC 62a_100000755133_100000042424 [0,2,0,0,0,0|0,0,2]=4 13597 B14R0.432 C=COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000036128 [0,2,0,0,0,0|0,0,2]=4 13598 B14R0.432 C=COC(=O)CNCCCCCC(C)C 34a_100011290863_100000036128 [0,2,0,0,0,0|0,0,2]=4 13599 B14R0.432 C=COC(=O)COCCCCCC(C)C 34a_100011995859_100000036128 [0,2,0,0,0,0|0,0,2]=4 13600 B14R0.432 C=COC(=O)CSCCCCCC(C)C 62a_100000036128_100000210682 [0,2,0,0,0,0|0,0,2]=4 13601 B14R0.432 C=COC(=O)CSCCCCCC(C)C 62a_100000210682_100000036128 [0,2,0,0,0,0|0,0,2]=4 13602 B14R0.432 CC(C)CCCCCCNC(=O)CCO 240690a_100000211014_100011216618 [0,2,0,0,0,0|2,0,0]=4 13603 B14R0.432 CC(C)CCCCCNCC(=O)NCO 2230a_100011290863_100000185155 [0,2,0,0,0,0|2,0,0]=4 13604 B14R0.432 CC(C)CCCCCNCC(=O)NCO 34a_100011290863_100000185155 [0,2,0,0,0,0|2,0,0]=4 13605 B14R0.432 CC(C)CCCCCOCC(=O)NCO 34a_100011995859_100000185155 [0,2,0,0,0,0|2,0,0]=4 13606 B14R0.432 CC(C)CCCCCOCC(=O)NCO 7a_100011995859_100000185155 [0,2,0,0,0,0|2,0,0]=4 13607 B14R0.432 CC(C)CCCCCSCC(=O)NCO 62a_100000185155_100000210682 [0,2,0,0,0,0|2,0,0]=4 13608 B14R0.432 CC(C)CCCCCSCC(=O)NCO 62a_100000210682_100000185155 [0,2,0,0,0,0|2,0,0]=4 13609 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 11a_100000211014_100000210699 [0,2,0,0,0,0|1,0,1]=4 13610 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210699 [0,2,0,0,0,0|1,0,1]=4 13611 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210699 [0,2,0,0,0,0|1,0,1]=4 13612 B14R0.432 CCCC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747444 [0,2,0,0,0,0|1,0,0]=3 13613 B14R0.432 CCCC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747444 [0,2,0,0,0,0|2,0,0]=4 13614 B14R0.432 CCCC(=O)COCCCCCC(C)C 7a_100011995859_100000747444 [0,2,0,0,0,0|1,0,0]=3 13615 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747444 [0,2,0,0,0,0|1,0,0]=3 13616 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000747444_100000210682 [0,2,0,0,0,0|1,0,0]=3 13617 B14R0.432 CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211992 [0,2,0,0,0,0|1,0,0]=3 13618 B14R0.432 CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211992 [0,2,0,0,0,0|1,0,0]=3 13619 B14R0.432 CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211992 [0,2,0,0,0,0|1,0,0]=3 13620 B14R0.432 CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211992 [0,2,0,0,0,0|1,0,0]=3 13621 B14R0.432 CCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000211992 [0,2,0,0,0,0|2,0,0]=4 13622 B14R0.432 CCCC(=O)OCOCCCCC(C)C 34a_100011214890_100000034017 [0,2,0,0,0,0|2,0,0]=4 13623 B14R0.432 CCCC(=O)OCSCCCCC(C)C 62a_100011216152_100000034017 [0,2,0,0,0,0|2,0,0]=4 13624 B14R0.432 CCNC(=O)CCNCCCCC(=O)C 34a_100025743525_100009817362 [0,2,0,0,0,0|1,0,1]=4 13625 B14R0.432 CCNC(=O)CCNCCCCC(C)C 34a_100025743525_100011216152 [0,2,0,0,0,0|1,0,0]=3 13626 B14R0.432 CCNC(=O)CCNCCCOC(C)C 2230a_100000737246_100000737597 [0,2,0,0,0,0|2,0,0]=4 13627 B14R0.432 CCNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737597 [0,2,0,0,0,0|1,0,0]=3 13628 B14R0.432 CCNC(=O)CCOCCOCC(C)C 7a_100000703358_100000737597 [0,2,0,0,0,0|2,0,0]=4 13629 B14R0.432 CCNC(=O)CCOCCSCC(C)C 7a_200000230437_100000737597 [0,2,0,0,0,0|2,0,0]=4 13630 B14R0.432 CCNC(=O)CCSCCCCC(=O)C 62a_100000735457_100000737597 [0,2,0,0,0,0|1,0,1]=4 13631 B14R0.432 CCNC(=O)CCSCCCCC(=O)C 62a_100000737597_100000735457 [0,2,0,0,0,0|1,0,1]=4 13632 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100000737597_100011216152 [0,2,0,0,0,0|1,0,0]=3 13633 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737597 [0,2,0,0,0,0|1,0,0]=3 13634 B14R0.432 CCNC(=O)CCSCCCCN(C)C 62a_100000737597_100000690147 [0,2,0,0,0,0|2,0,0]=4 13635 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183381 [0,2,0,0,0,0|1,0,0]=3 13636 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100016988866_100000210682 [0,2,0,0,0,0|1,0,0]=3 13637 B14R0.432 CCNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183381 [0,2,0,0,0,0|1,0,0]=3 13638 B14R0.432 CCNC(=O)CNCCCOCC(C)C 2230a_100000205972_100000183381 [0,2,0,0,0,0|2,0,0]=4 13639 B14R0.432 CCNC(=O)CNCCCOCC(C)C 34a_100000205972_100000183381 [0,2,0,0,0,0|2,0,0]=4 13640 B14R0.432 CCNC(=O)COCCCCCC(C)C 34a_100011995859_100000183381 [0,2,0,0,0,0|1,0,0]=3 13641 B14R0.432 CCNC(=O)COCCCCCC(C)C 7a_100011995859_100000183381 [0,2,0,0,0,0|1,0,0]=3 13642 B14R0.432 CCNC(=O)COCCCCNC(C)C 34a_100011521146_100000183381 [0,2,0,0,0,0|2,0,0]=4 13643 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000183381_100000210682 [0,2,0,0,0,0|1,0,0]=3 13644 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183381 [0,2,0,0,0,0|1,0,0]=3 13645 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100015525214 [0,2,0,0,0,0|1,0,0]=3 13646 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100015525214_100000211014 [0,2,0,0,0,0|1,0,0]=3 13647 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100015525214 [0,2,0,0,0,0|1,0,0]=3 13648 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100015525214_100000211014 [0,2,0,0,0,0|1,0,0]=3 13649 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100000211014_100015525214 [0,2,0,0,0,0|1,0,0]=3 13650 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100015525214_100000211014 [0,2,0,0,0,0|1,0,0]=3 13651 B14R0.432 CCNC(=O)NCCCCCCN(C)C 2708a_100015525214_200011233508 [0,2,0,0,0,0|2,0,0]=4 13652 B14R0.432 CCNC(=O)NCCCCCCN(C)C 2708a_200011233508_100015525214 [0,2,0,0,0,0|2,0,0]=4 13653 B14R0.432 CCNC(=O)NCCCCCCN(C)C 273464a_100015525214_200011233508 [0,2,0,0,0,0|2,0,0]=4 13654 B14R0.432 CCNC(=O)NCCCCCCN(C)C 273464a_200011233508_100015525214 [0,2,0,0,0,0|2,0,0]=4 13655 B14R0.432 CCNC(=O)NCCCCCCN(C)C 512a_100015525214_200011233508 [0,2,0,0,0,0|2,0,0]=4 13656 B14R0.432 CCNC(=O)NCCCCCCN(C)C 512a_200011233508_100015525214 [0,2,0,0,0,0|2,0,0]=4 13657 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100016267167 [0,2,0,0,0,0|0,0,2]=4 13658 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100016267167 [0,2,0,0,0,0|0,0,2]=4 13659 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 34a_100000210774_100016267167 [0,2,0,0,0,0|0,0,2]=4 13660 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 7a_100000210774_100016267167 [0,2,0,0,0,0|0,0,2]=4 13661 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100016267167 [0,2,0,0,0,0|0,0,2]=4 13662 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100016267167_100011214892 [0,2,0,0,0,0|0,0,2]=4 13663 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_100016267167_200000718107 [0,2,0,0,0,0|0,0,2]=4 13664 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100016267167 [0,2,0,0,0,0|0,0,2]=4 13665 B14R0.432 CCOC(=O)CCCCC=NNC(C)C 4a_100000741168_100012182868 [0,2,0,0,0,0|1,0,1]=4 13666 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,2,0,0,0,0|0,0,0]=2 13667 B14R0.432 CCOC(=O)CCCCCCCN(C)C 2230a_100102631434_100009991516 [0,2,0,0,0,0|0,0,0]=2 13668 B14R0.432 CCOC(=O)CCCCCCCN(C)C 269982a_100102631434_100009991516 [0,2,0,0,0,0|0,0,0]=2 13669 B14R0.432 CCOC(=O)CCCCCCNC(=O)C 188690a_100000741137_100015343762 [0,2,0,0,0,0|0,0,1]=3 13670 B14R0.432 CCOC(=O)CCCCCCNC(C)C 2230a_100138425928_100009814379 [0,2,0,0,0,0|0,0,0]=2 13671 B14R0.432 CCOC(=O)CCCCCCNC(C)C 34a_100138425928_100009814379 [0,2,0,0,0,0|0,0,0]=2 13672 B14R0.432 CCOC(=O)CCCCCCOC(C)C 34a_100000212225_100009814379 [0,2,0,0,0,0|0,0,0]=2 13673 B14R0.432 CCOC(=O)CCCCCCSC(C)C 62a_100000210206_100009814379 [0,2,0,0,0,0|0,0,0]=2 13674 B14R0.432 CCOC(=O)CCCCCNCC(=O)N 2230a_100000711301_100000755133 [0,2,0,0,0,0|1,0,1]=4 13675 B14R0.432 CCOC(=O)CCCCCNCC(=O)O 269956a_100016091260_100000755133 [0,2,0,0,0,0|1,0,1]=4 13676 B14R0.432 CCOC(=O)CCCCCNCC(C)C 2230a_100000210953_100000755133 [0,2,0,0,0,0|0,0,0]=2 13677 B14R0.432 CCOC(=O)CCCCCNCC(C)C 34a_100000210953_100000755133 [0,2,0,0,0,0|0,0,0]=2 13678 B14R0.432 CCOC(=O)CCCCCNCC(C)O 2230a_100000210904_100000755133 [0,2,0,0,0,0|0,0,0]=2 13679 B14R0.432 CCOC(=O)CCCCCNCC(C)O 34a_100000210904_100000755133 [0,2,0,0,0,0|0,0,0]=2 13680 B14R0.432 CCOC(=O)CCCCCNCC(F)F 34a_100000765723_100000755133 [0,2,0,0,0,0|1,0,0]=3 13681 B14R0.432 CCOC(=O)CCCCCOCC(=O)C 34a_100000211253_100000755133 [0,2,0,0,0,0|0,0,1]=3 13682 B14R0.432 CCOC(=O)CCCCCOCC(=O)N 7a_100011214988_100000187820 [0,2,0,0,0,0|1,0,1]=4 13683 B14R0.432 CCOC(=O)CCCCCOCC(C)Br 34a_100012180447_100000755133 [0,2,0,0,0,0|0,0,0]=2 13684 B14R0.432 CCOC(=O)CCCCCOCC(C)C 34a_100000210257_100000755133 [0,2,0,0,0,0|0,0,0]=2 13685 B14R0.432 CCOC(=O)CCCCCOCC(C)C 7a_100011214988_100000210760 [0,2,0,0,0,0|0,0,0]=2 13686 B14R0.432 CCOC(=O)CCCCCOCC(C)F 34a_100015925927_100000755133 [0,2,0,0,0,0|0,0,0]=2 13687 B14R0.432 CCOC(=O)CCCCCOCC(C)O 7a_100011214988_100011218427 [0,2,0,0,0,0|0,0,0]=2 13688 B14R0.432 CCOC(=O)CCCCCOCC(F)F 34a_100000743014_100000755133 [0,2,0,0,0,0|1,0,0]=3 13689 B14R0.432 CCOC(=O)CCCCCOCC(F)F 7a_100011214988_100011934356 [0,2,0,0,0,0|1,0,0]=3 13690 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000755133 [0,2,0,0,0,0|0,0,0]=2 13691 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100000755133 [0,2,0,0,0,0|0,0,0]=2 13692 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)O 7a_100011214988_100009817552 [0,2,0,0,0,0|0,0,0]=2 13693 B14R0.432 CCOC(=O)CCCCCSCC(=O)N 62a_100000747473_100000755133 [0,2,0,0,0,0|1,0,1]=4 13694 B14R0.432 CCOC(=O)CCCCCSCC(=O)N 62a_100000755133_100000747473 [0,2,0,0,0,0|1,0,1]=4 13695 B14R0.432 CCOC(=O)CCCCCSCC(=O)[O-] 62a_100000755133_100020667443 [0,2,0,0,0,0|1,0,1]=4 13696 B14R0.432 CCOC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100000755133 [0,2,0,0,0,0|1,0,1]=4 13697 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000210624_100000755133 [0,2,0,0,0,0|0,0,0]=2 13698 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000755133_100000210760 [0,2,0,0,0,0|0,0,0]=2 13699 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100000755133_100011218427 [0,2,0,0,0,0|0,0,0]=2 13700 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100011218427_100000755133 [0,2,0,0,0,0|0,0,0]=2 13701 B14R0.432 CCOC(=O)CCCCCSCC(F)F 62a_100000755133_100011934356 [0,2,0,0,0,0|1,0,0]=3 13702 B14R0.432 CCOC(=O)CCCCCSCC(F)F 62a_100011934356_100000755133 [0,2,0,0,0,0|1,0,0]=3 13703 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100000755133_100009817552 [0,2,0,0,0,0|0,0,0]=2 13704 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100000755133 [0,2,0,0,0,0|0,0,0]=2 13705 B14R0.432 CCOC(=O)CCCCCSC[N+](=O)[O-] 62a_100000755133_100000761209 [0,2,0,0,0,0|2,0,0]=4 13706 B14R0.432 CCOC(=O)CCCCNCC=C(C)C 34a_100000718196_100000750268 [0,2,0,0,0,0|0,0,2]=4 13707 B14R0.432 CCOC(=O)CCCCNCCC(C)O 2230a_200000755665_100000750268 [0,2,0,0,0,0|0,0,0]=2 13708 B14R0.432 CCOC(=O)CCCCOCC=C(C)C 34a_100000753907_100000750268 [0,2,0,0,0,0|0,0,2]=4 13709 B14R0.432 CCOC(=O)CCCCOCCC(=O)C 34a_100000759926_100000750268 [0,2,0,0,0,0|0,0,1]=3 13710 B14R0.432 CCOC(=O)CCCCOCCC(=O)C 7a_100000759926_100000750268 [0,2,0,0,0,0|0,0,1]=3 13711 B14R0.432 CCOC(=O)CCCCOCCC(=O)N 34a_100000757172_100000750268 [0,2,0,0,0,0|1,0,1]=4 13712 B14R0.432 CCOC(=O)CCCCOCCC(=O)N 7a_100000757172_100000750268 [0,2,0,0,0,0|1,0,1]=4 13713 B14R0.432 CCOC(=O)CCCCOCCC(C)Br 34a_100009893172_100000750268 [0,2,0,0,0,0|0,0,0]=2 13714 B14R0.432 CCOC(=O)CCCCOCCC(C)C 34a_100000210254_100000750268 [0,2,0,0,0,0|0,0,0]=2 13715 B14R0.432 CCOC(=O)CCCCOCCC(C)C 7a_100000210254_100000750268 [0,2,0,0,0,0|0,0,0]=2 13716 B14R0.432 CCOC(=O)CCCCOCCC(F)F 34a_100103093639_100000750268 [0,2,0,0,0,0|1,0,0]=3 13717 B14R0.432 CCOC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000750268 [0,2,0,0,0,0|0,0,0]=2 13718 B14R0.432 CCOC(=O)CCCCSCC=C(C)C 62a_100000750268_100000761012 [0,2,0,0,0,0|0,0,2]=4 13719 B14R0.432 CCOC(=O)CCCCSCC=C(C)C 62a_100000761012_100000750268 [0,2,0,0,0,0|0,0,2]=4 13720 B14R0.432 CCOC(=O)CCCCSCCC(=O)C 62a_100000053229_100000750268 [0,2,0,0,0,0|0,0,1]=3 13721 B14R0.432 CCOC(=O)CCCCSCCC(=O)C 62a_100000750268_100000053229 [0,2,0,0,0,0|0,0,1]=3 13722 B14R0.432 CCOC(=O)CCCCSCCC(=O)N 62a_100000744528_100000750268 [0,2,0,0,0,0|1,0,1]=4 13723 B14R0.432 CCOC(=O)CCCCSCCC(=O)N 62a_100000750268_100000744528 [0,2,0,0,0,0|1,0,1]=4 13724 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000210312_100000750268 [0,2,0,0,0,0|0,0,0]=2 13725 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000750268_100000210312 [0,2,0,0,0,0|0,0,0]=2 13726 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100000750268_100012276601 [0,2,0,0,0,0|0,0,0]=2 13727 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100012276601_100000750268 [0,2,0,0,0,0|0,0,0]=2 13728 B14R0.432 CCOC(=O)CCCCSCCN(C)C 62a_100000750268_100000755713 [0,2,0,0,0,0|1,0,0]=3 13729 B14R0.432 CCOC(=O)CCCCSCOC(=O)C 62a_100000076356_100000750268 [0,2,0,0,0,0|1,0,1]=4 13730 B14R0.432 CCOC(=O)CCCCSCOC(=O)C 62a_100000750268_100000076356 [0,2,0,0,0,0|1,0,1]=4 13731 B14R0.432 CCOC(=O)CCCCSCOC(C)C 62a_100000709892_100000750268 [0,2,0,0,0,0|1,0,0]=3 13732 B14R0.432 CCOC(=O)CCCCSCOC(C)C 62a_100000750268_100000709892 [0,2,0,0,0,0|1,0,0]=3 13733 B14R0.432 CCOC(=O)CCCNCCCC(=O)N 34a_100000739312_100009991533 [0,2,0,0,0,0|1,0,1]=4 13734 B14R0.432 CCOC(=O)CCCNCCCC(C)C 2230a_200000737386_100009991533 [0,2,0,0,0,0|0,0,0]=2 13735 B14R0.432 CCOC(=O)CCCNCCCC(C)C 34a_200000737386_100009991533 [0,2,0,0,0,0|0,0,0]=2 13736 B14R0.432 CCOC(=O)CCCNCCCS(=O)C 2230a_200000753449_100009991533 [0,2,0,0,0,0|1,0,0]=3 13737 B14R0.432 CCOC(=O)CCCNCCNC(=O)C 2230a_100000209853_100009991533 [0,2,0,0,0,0|1,0,1]=4 13738 B14R0.432 CCOC(=O)CCCNCCOC(C)C 2230a_100000701111_100009991533 [0,2,0,0,0,0|1,0,0]=3 13739 B14R0.432 CCOC(=O)CCCNCCOC(C)C 34a_100000701111_100009991533 [0,2,0,0,0,0|1,0,0]=3 13740 B14R0.432 CCOC(=O)CCCNCCSC(C)C 2230a_100000731138_100009991533 [0,2,0,0,0,0|1,0,0]=3 13741 B14R0.432 CCOC(=O)CCCNCCSC(C)C 34a_100000731138_100009991533 [0,2,0,0,0,0|1,0,0]=3 13742 B14R0.432 CCOC(=O)CCCOCCC=C(C)C 7a_100012001163_100011217483 [0,2,0,0,0,0|0,0,2]=4 13743 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 34a_100000759063_100009991533 [0,2,0,0,0,0|0,0,1]=3 13744 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215271 [0,2,0,0,0,0|0,0,1]=3 13745 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100012001163_100011215641 [0,2,0,0,0,0|0,0,1]=3 13746 B14R0.432 CCOC(=O)CCCOCCCC(=O)N 7a_100012001163_100102525003 [0,2,0,0,0,0|1,0,1]=4 13747 B14R0.432 CCOC(=O)CCCOCCCC(C)C 34a_100000210774_100009991533 [0,2,0,0,0,0|0,0,0]=2 13748 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100000210774_100011215271 [0,2,0,0,0,0|0,0,0]=2 13749 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100012001163_100011214892 [0,2,0,0,0,0|0,0,0]=2 13750 B14R0.432 CCOC(=O)CCCOCCCC(C)O 7a_100012001163_200000718107 [0,2,0,0,0,0|0,0,0]=2 13751 B14R0.432 CCOC(=O)CCCOCCCN(C)C 7a_100012001163_100000757444 [0,2,0,0,0,0|1,0,0]=3 13752 B14R0.432 CCOC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100009991533 [0,2,0,0,0,0|2,0,0]=4 13753 B14R0.432 CCOC(=O)CCCOCCNC(=O)C 34a_100000158858_100009991533 [0,2,0,0,0,0|1,0,1]=4 13754 B14R0.432 CCOC(=O)CCCOCCNC(=O)C 7a_100012001163_100000189650 [0,2,0,0,0,0|1,0,1]=4 13755 B14R0.432 CCOC(=O)CCCOCCNC(C)C 34a_100000224655_100009991533 [0,2,0,0,0,0|1,0,0]=3 13756 B14R0.432 CCOC(=O)CCCOCCOC(=O)C 7a_100012001163_100009814007 [0,2,0,0,0,0|1,0,1]=4 13757 B14R0.432 CCOC(=O)CCCOCCOC(C)C 34a_100000211219_100009991533 [0,2,0,0,0,0|1,0,0]=3 13758 B14R0.432 CCOC(=O)CCCOCCOC(C)C 7a_100000211219_100011215271 [0,2,0,0,0,0|1,0,0]=3 13759 B14R0.432 CCOC(=O)CCCOCCOC(C)C 7a_100012001163_100000211751 [0,2,0,0,0,0|1,0,0]=3 13760 B14R0.432 CCOC(=O)CCCOCCSC(C)C 34a_200011212901_100009991533 [0,2,0,0,0,0|1,0,0]=3 13761 B14R0.432 CCOC(=O)CCCOCCSC(C)C 7a_100012001163_100000730970 [0,2,0,0,0,0|1,0,0]=3 13762 B14R0.432 CCOC(=O)CCCOCCSC(C)C 7a_200011212901_100011215271 [0,2,0,0,0,0|1,0,0]=3 13763 B14R0.432 CCOC(=O)CCCSCCC=C(C)C 62a_100009991533_100011217483 [0,2,0,0,0,0|0,0,2]=4 13764 B14R0.432 CCOC(=O)CCCSCCC=C(C)C 62a_100011217483_100009991533 [0,2,0,0,0,0|0,0,2]=4 13765 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100009991533_100011215641 [0,2,0,0,0,0|0,0,1]=3 13766 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100011215641_100009991533 [0,2,0,0,0,0|0,0,1]=3 13767 B14R0.432 CCOC(=O)CCCSCCCC(=O)N 62a_100009991533_100102525003 [0,2,0,0,0,0|1,0,1]=4 13768 B14R0.432 CCOC(=O)CCCSCCCC(=O)N 62a_100102525003_100009991533 [0,2,0,0,0,0|1,0,1]=4 13769 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100009991533_100011214892 [0,2,0,0,0,0|0,0,0]=2 13770 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100011214892_100009991533 [0,2,0,0,0,0|0,0,0]=2 13771 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_100009991533_200000718107 [0,2,0,0,0,0|0,0,0]=2 13772 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_200000718107_100009991533 [0,2,0,0,0,0|0,0,0]=2 13773 B14R0.432 CCOC(=O)CCCSCCCN(C)C 62a_100009991533_100000757444 [0,2,0,0,0,0|1,0,0]=3 13774 B14R0.432 CCOC(=O)CCCSCCNC(=O)C 62a_100000189650_100009991533 [0,2,0,0,0,0|1,0,1]=4 13775 B14R0.432 CCOC(=O)CCCSCCNC(=O)C 62a_100009991533_100000189650 [0,2,0,0,0,0|1,0,1]=4 13776 B14R0.432 CCOC(=O)CCCSCCOC(=O)C 62a_100009814007_100009991533 [0,2,0,0,0,0|1,0,1]=4 13777 B14R0.432 CCOC(=O)CCCSCCOC(=O)C 62a_100009991533_100009814007 [0,2,0,0,0,0|1,0,1]=4 13778 B14R0.432 CCOC(=O)CCCSCCOC(C)C 62a_100000211751_100009991533 [0,2,0,0,0,0|1,0,0]=3 13779 B14R0.432 CCOC(=O)CCCSCCOC(C)C 62a_100009991533_100000211751 [0,2,0,0,0,0|1,0,0]=3 13780 B14R0.432 CCOC(=O)CCCSCCSC(C)C 62a_100000730970_100009991533 [0,2,0,0,0,0|1,0,0]=3 13781 B14R0.432 CCOC(=O)CCCSCCSC(C)C 62a_100009991533_100000730970 [0,2,0,0,0,0|1,0,0]=3 13782 B14R0.432 CCOC(=O)CCNCCCCC(=O)N 34a_100000696515_100000765890 [0,2,0,0,0,0|1,0,1]=4 13783 B14R0.432 CCOC(=O)CCNCCCNC(=O)C 34a_100000736810_100000765890 [0,2,0,0,0,0|1,0,1]=4 13784 B14R0.432 CCOC(=O)CCNCCCOC(C)C 2230a_100000737246_100011206558 [0,2,0,0,0,0|1,0,0]=3 13785 B14R0.432 CCOC(=O)CCNCCCOC(C)C 34a_100000737246_100000765890 [0,2,0,0,0,0|1,0,0]=3 13786 B14R0.432 CCOC(=O)CCOCCCCC(=O)N 34a_100012022536_100000765890 [0,2,0,0,0,0|1,0,1]=4 13787 B14R0.432 CCOC(=O)CCOCCCCC(=O)N 7a_100012022536_100011206558 [0,2,0,0,0,0|1,0,1]=4 13788 B14R0.432 CCOC(=O)CCOCCCCC(C)C 34a_100011214890_100000765890 [0,2,0,0,0,0|0,0,0]=2 13789 B14R0.432 CCOC(=O)CCOCCCCC(C)C 7a_100011214890_100011206558 [0,2,0,0,0,0|0,0,0]=2 13790 B14R0.432 CCOC(=O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000765890 [0,2,0,0,0,0|2,0,0]=4 13791 B14R0.432 CCOC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100011206558 [0,2,0,0,0,0|2,0,0]=4 13792 B14R0.432 CCOC(=O)CCOCCCNC(=O)C 34a_100000752032_100000765890 [0,2,0,0,0,0|1,0,1]=4 13793 B14R0.432 CCOC(=O)CCOCCCNC(C)C 34a_100000182298_100000765890 [0,2,0,0,0,0|1,0,0]=3 13794 B14R0.432 CCOC(=O)CCOCCNCC(C)C 34a_100015185251_100000765890 [0,2,0,0,0,0|1,0,0]=3 13795 B14R0.432 CCOC(=O)CCOCCOCC(C)C 34a_100000703358_100000765890 [0,2,0,0,0,0|1,0,0]=3 13796 B14R0.432 CCOC(=O)CCOCCOCC(C)C 7a_100000703358_100011206558 [0,2,0,0,0,0|1,0,0]=3 13797 B14R0.432 CCOC(=O)CCOCCOCC(F)F 34a_100000704375_100000765890 [0,2,0,0,0,0|2,0,0]=4 13798 B14R0.432 CCOC(=O)CCOCCOCC(F)F 7a_100000704375_100011206558 [0,2,0,0,0,0|2,0,0]=4 13799 B14R0.432 CCOC(=O)CCOCCSCC(C)C 34a_200000230437_100000765890 [0,2,0,0,0,0|1,0,0]=3 13800 B14R0.432 CCOC(=O)CCOCCSCC(C)C 7a_200000230437_100011206558 [0,2,0,0,0,0|1,0,0]=3 13801 B14R0.432 CCOC(=O)CCSCCCCB(O)O 62a_100000765890_200009817182 [0,2,0,0,0,0|2,0,0]=4 13802 B14R0.432 CCOC(=O)CCSCCCCB(O)O 62a_200009817182_100000765890 [0,2,0,0,0,0|2,0,0]=4 13803 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000735457_100000765890 [0,2,0,0,0,0|0,0,1]=3 13804 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000765890_100000735457 [0,2,0,0,0,0|0,0,1]=3 13805 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100000765890_100011216152 [0,2,0,0,0,0|0,0,0]=2 13806 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100011216152_100000765890 [0,2,0,0,0,0|0,0,0]=2 13807 B14R0.432 CCOC(=O)CCSCCCCN(C)C 62a_100000765890_100000690147 [0,2,0,0,0,0|1,0,0]=3 13808 B14R0.432 CCOC(=O)CCSCCCOC(=O)C 62a_100000042594_100000765890 [0,2,0,0,0,0|1,0,1]=4 13809 B14R0.432 CCOC(=O)CCSCCCOC(=O)C 62a_100000765890_100000042594 [0,2,0,0,0,0|1,0,1]=4 13810 B14R0.432 CCOC(=O)CCSCCCOC(=S)C 62a_100000765890_200135323944 [0,2,0,0,0,0|1,0,1]=4 13811 B14R0.432 CCOC(=O)CCSCCCOC(=S)C 62a_200135323944_100000765890 [0,2,0,0,0,0|1,0,1]=4 13812 B14R0.432 CCOC(=O)CCSCCCSC(=O)C 62a_100000038929_100000765890 [0,2,0,0,0,0|1,0,1]=4 13813 B14R0.432 CCOC(=O)CCSCCCSC(=O)C 62a_100000765890_100000038929 [0,2,0,0,0,0|1,0,1]=4 13814 B14R0.432 CCOC(=O)CCSCCOCC(F)F 62a_100000765890_200012177212 [0,2,0,0,0,0|2,0,0]=4 13815 B14R0.432 CCOC(=O)CCSCCOCC(F)F 62a_200012177212_100000765890 [0,2,0,0,0,0|2,0,0]=4 13816 B14R0.432 CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000188475 [0,2,0,0,0,0|0,0,0]=2 13817 B14R0.432 CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000188475 [0,2,0,0,0,0|0,0,0]=2 13818 B14R0.432 CCOC(=O)CNCCCCNC(=O)C 2230a_200011368371_100000188475 [0,2,0,0,0,0|1,0,1]=4 13819 B14R0.432 CCOC(=O)CNCCCCNC(=O)C 34a_200011368371_100000188475 [0,2,0,0,0,0|1,0,1]=4 13820 B14R0.432 CCOC(=O)CNCCCOCC(C)C 2230a_100000205972_100000188475 [0,2,0,0,0,0|1,0,0]=3 13821 B14R0.432 CCOC(=O)CNCCCOCC(C)C 34a_100000205972_100000188475 [0,2,0,0,0,0|1,0,0]=3 13822 B14R0.432 CCOC(=O)COCCCCCC(=O)N 34a_100000123541_100000188475 [0,2,0,0,0,0|1,0,1]=4 13823 B14R0.432 CCOC(=O)COCCCCCC(=O)N 7a_100000123541_100000188475 [0,2,0,0,0,0|1,0,1]=4 13824 B14R0.432 CCOC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000188475 [0,2,0,0,0,0|1,0,1]=4 13825 B14R0.432 CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000188475 [0,2,0,0,0,0|0,0,0]=2 13826 B14R0.432 CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000188475 [0,2,0,0,0,0|0,0,0]=2 13827 B14R0.432 CCOC(=O)COCCCCNC(C)C 34a_100011521146_100000188475 [0,2,0,0,0,0|1,0,0]=3 13828 B14R0.432 CCOC(=O)COCCCCOC(=O)C 34a_100000073216_100000188475 [0,2,0,0,0,0|1,0,1]=4 13829 B14R0.432 CCOC(=O)COCCCCOC(=O)C 7a_100000073216_100000188475 [0,2,0,0,0,0|1,0,1]=4 13830 B14R0.432 CCOC(=O)COCCCNCC(C)C 2230a_100000210953_100009893628 [0,2,0,0,0,0|1,0,0]=3 13831 B14R0.432 CCOC(=O)COCCCNCC(C)C 34a_100000210953_100009893628 [0,2,0,0,0,0|1,0,0]=3 13832 B14R0.432 CCOC(=O)COCCCNCC(C)O 2230a_100000210904_100009893628 [0,2,0,0,0,0|1,0,0]=3 13833 B14R0.432 CCOC(=O)COCCCNCC(C)O 34a_100000210904_100009893628 [0,2,0,0,0,0|1,0,0]=3 13834 B14R0.432 CCOC(=O)COCCCNCC(F)F 34a_100000765723_100009893628 [0,2,0,0,0,0|2,0,0]=4 13835 B14R0.432 CCOC(=O)COCCCOCC(=O)C 34a_100000211253_100009893628 [0,2,0,0,0,0|1,0,1]=4 13836 B14R0.432 CCOC(=O)COCCCOCC(C)Br 34a_100012180447_100009893628 [0,2,0,0,0,0|1,0,0]=3 13837 B14R0.432 CCOC(=O)COCCCOCC(C)C 34a_100000210257_100009893628 [0,2,0,0,0,0|1,0,0]=3 13838 B14R0.432 CCOC(=O)COCCCOCC(C)F 34a_100015925927_100009893628 [0,2,0,0,0,0|1,0,0]=3 13839 B14R0.432 CCOC(=O)COCCCOCC(F)F 34a_100000743014_100009893628 [0,2,0,0,0,0|2,0,0]=4 13840 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)Cl 34a_100016084084_100009893628 [0,2,0,0,0,0|1,0,0]=3 13841 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)N 34a_100000737577_100009893628 [0,2,0,0,0,0|1,0,0]=3 13842 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100000210624_100009893628 [0,2,0,0,0,0|1,0,0]=3 13843 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100009893628_100000210760 [0,2,0,0,0,0|1,0,0]=3 13844 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100009893628_100011218427 [0,2,0,0,0,0|1,0,0]=3 13845 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100011218427_100009893628 [0,2,0,0,0,0|1,0,0]=3 13846 B14R0.432 CCOC(=O)COCCCSCC(F)F 62a_100009893628_100011934356 [0,2,0,0,0,0|2,0,0]=4 13847 B14R0.432 CCOC(=O)COCCCSCC(F)F 62a_100011934356_100009893628 [0,2,0,0,0,0|2,0,0]=4 13848 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009817552_100009893628 [0,2,0,0,0,0|1,0,0]=3 13849 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009893628_100009817552 [0,2,0,0,0,0|1,0,0]=3 13850 B14R0.432 CCOC(=O)COCCNCCC(C)O 2230a_200000755665_100000088970 [0,2,0,0,0,0|1,0,0]=3 13851 B14R0.432 CCOC(=O)COCCOCCC(=O)C 34a_100000759926_100000088970 [0,2,0,0,0,0|1,0,1]=4 13852 B14R0.432 CCOC(=O)COCCOCCC(=O)C 7a_100000759926_100000088970 [0,2,0,0,0,0|1,0,1]=4 13853 B14R0.432 CCOC(=O)COCCOCCC(C)Br 34a_100009893172_100000088970 [0,2,0,0,0,0|1,0,0]=3 13854 B14R0.432 CCOC(=O)COCCOCCC(C)C 34a_100000210254_100000088970 [0,2,0,0,0,0|1,0,0]=3 13855 B14R0.432 CCOC(=O)COCCOCCC(C)C 7a_100000210254_100000088970 [0,2,0,0,0,0|1,0,0]=3 13856 B14R0.432 CCOC(=O)COCCOCCC(F)F 34a_100103093639_100000088970 [0,2,0,0,0,0|2,0,0]=4 13857 B14R0.432 CCOC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000088970 [0,2,0,0,0,0|1,0,0]=3 13858 B14R0.432 CCOC(=O)COCCSCCC(=O)C 62a_100000053229_100000088970 [0,2,0,0,0,0|1,0,1]=4 13859 B14R0.432 CCOC(=O)COCCSCCC(=O)C 62a_100000088970_100000053229 [0,2,0,0,0,0|1,0,1]=4 13860 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000088970_100000210312 [0,2,0,0,0,0|1,0,0]=3 13861 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000210312_100000088970 [0,2,0,0,0,0|1,0,0]=3 13862 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100000088970_100012276601 [0,2,0,0,0,0|1,0,0]=3 13863 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100012276601_100000088970 [0,2,0,0,0,0|1,0,0]=3 13864 B14R0.432 CCOC(=O)COCCSCCN(C)C 62a_100000088970_100000755713 [0,2,0,0,0,0|2,0,0]=4 13865 B14R0.432 CCOC(=O)COCCSCOC(C)C 62a_100000088970_100000709892 [0,2,0,0,0,0|2,0,0]=4 13866 B14R0.432 CCOC(=O)COCCSCOC(C)C 62a_100000709892_100000088970 [0,2,0,0,0,0|2,0,0]=4 13867 B14R0.432 CCOC(=O)CSCCCCCB(O)O 62a_100000188475_200009817188 [0,2,0,0,0,0|2,0,0]=4 13868 B14R0.432 CCOC(=O)CSCCCCCB(O)O 62a_200009817188_100000188475 [0,2,0,0,0,0|2,0,0]=4 13869 B14R0.432 CCOC(=O)CSCCCCCC(=O)N 62a_100000188475_100009817443 [0,2,0,0,0,0|1,0,1]=4 13870 B14R0.432 CCOC(=O)CSCCCCCC(=O)N 62a_100009817443_100000188475 [0,2,0,0,0,0|1,0,1]=4 13871 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000188475_100000210682 [0,2,0,0,0,0|0,0,0]=2 13872 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000188475 [0,2,0,0,0,0|0,0,0]=2 13873 B14R0.432 CCOC(=O)CSCCCCOC(=O)C 62a_100000033659_100000188475 [0,2,0,0,0,0|1,0,1]=4 13874 B14R0.432 CCOC(=O)CSCCCCOC(=O)C 62a_100000188475_100000033659 [0,2,0,0,0,0|1,0,1]=4 13875 B14R0.432 CCOC(=O)CSCCCCSC(=O)C 62a_100000188475_200010402107 [0,2,0,0,0,0|1,0,1]=4 13876 B14R0.432 CCOC(=O)CSCCCCSC(=O)C 62a_200010402107_100000188475 [0,2,0,0,0,0|1,0,1]=4 13877 B14R0.432 CCOC(=O)CSCCOCCC(=O)C 7a_200000230590_100000053229 [0,2,0,0,0,0|1,0,1]=4 13878 B14R0.432 CCOC(=O)CSCCOCCC(C)C 7a_200000230590_100000210626 [0,2,0,0,0,0|1,0,0]=3 13879 B14R0.432 CCOC(=O)CSCCOCCC(C)O 7a_200000230590_100012276601 [0,2,0,0,0,0|1,0,0]=3 13880 B14R0.432 CCOC(=O)CSCCOCCN(C)C 7a_200000230590_100000755713 [0,2,0,0,0,0|2,0,0]=4 13881 B14R0.432 CCOC(=O)NCCOCCCC(=O)C 34a_100000158857_100000685027 [0,2,0,0,0,0|1,0,1]=4 13882 B14R0.432 CCOC(=O)NCCOCCCC(=O)C 7a_100000759063_200011445536 [0,2,0,0,0,0|1,0,1]=4 13883 B14R0.432 CCOC(=O)NCCOCCCC(C)C 34a_100000158857_100011214892 [0,2,0,0,0,0|1,0,0]=3 13884 B14R0.432 CCOC(=O)NCCOCCCC(C)C 7a_100000210774_200011445536 [0,2,0,0,0,0|1,0,0]=3 13885 B14R0.432 CCOC(=O)NCCOCCCC(C)O 34a_100000158857_200000718107 [0,2,0,0,0,0|1,0,0]=3 13886 B14R0.432 CCOC(=O)NCCOCCOC(C)C 34a_100000158857_100000211751 [0,2,0,0,0,0|2,0,0]=4 13887 B14R0.432 CCOC(=O)NCCOCCOC(C)C 7a_100000211219_200011445536 [0,2,0,0,0,0|2,0,0]=4 13888 B14R0.432 CCOC(=O)NCCOCCSC(C)C 34a_100000158857_100000730970 [0,2,0,0,0,0|2,0,0]=4 13889 B14R0.432 CCOC(=O)NCCOCCSC(C)C 7a_200011212901_200011445536 [0,2,0,0,0,0|2,0,0]=4 13890 B14R0.432 CCOC(=O)NCCSCCCC(=O)C 62a_100011215641_200011445536 [0,2,0,0,0,0|1,0,1]=4 13891 B14R0.432 CCOC(=O)NCCSCCCC(C)C 62a_100011214892_200011445536 [0,2,0,0,0,0|1,0,0]=3 13892 B14R0.432 CCOC(=O)NCCSCCCC(C)O 62a_200000718107_200011445536 [0,2,0,0,0,0|1,0,0]=3 13893 B14R0.432 CCOC(=O)NCCSCCOC(C)C 62a_100000211751_200011445536 [0,2,0,0,0,0|2,0,0]=4 13894 B14R0.432 CCOC(=O)NCCSCCSC(C)C 62a_100000730970_200011445536 [0,2,0,0,0,0|2,0,0]=4 13895 B14R0.432 CCOC(=O)OCSCCCCC(=O)C 62a_100000735457_100000075025 [0,2,0,0,0,0|1,0,1]=4 13896 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,2,0,0,0,0|1,0,0]=3 13897 B14R0.432 CNNC(=O)NCCCCCCC(C)C 273464a_100000211014_100016993582 [0,2,0,0,0,0|2,0,0]=4 13898 B14R0.432 CNNC(=O)NCCCCCCC(C)C 512a_100000211014_100016993582 [0,2,0,0,0,0|2,0,0]=4 13899 B14R0.432 CNNC(=O)NCCCCCCC(C)C 512a_100016993582_100000211014 [0,2,0,0,0,0|2,0,0]=4 13900 B14R0.432 COCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210968 [0,2,0,0,0,0|2,0,0]=4 13901 B14R0.432 COCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210968 [0,2,0,0,0,0|2,0,0]=4 13902 B14R0.432 COCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210968 [0,2,0,0,0,0|2,0,0]=4 13903 B14R0.432 COCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210968 [0,2,0,0,0,0|2,0,0]=4 13904 B14R0.432 CSCC(=O)NCCCCCCC(C)C 11a_100000211014_100000184570 [0,2,0,0,0,0|2,0,0]=4 13905 B14R0.432 CSCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000184570 [0,2,0,0,0,0|2,0,0]=4 13906 B14R0.432 CSCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000184570 [0,2,0,0,0,0|2,0,0]=4 13907 B14R0.432 CSCC(=O)NCCCCCCC(C)C 527a_100000211014_100000184570 [0,2,0,0,0,0|2,0,0]=4 13908 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000210558_100000753159 [0,2,0,0,0,0|1,0,1]=4 13909 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000692101_100000210670 [0,2,0,0,0,0|1,0,1]=4 13910 B14R0.493 C#CCCC(=O)CCCCCCCCO 1458a_100000692101_100000033203 [0,2,0,0,0,0|1,0,1]=4 13911 B14R0.493 C#CCCC(=O)CCOCCCCCC 34a_100011064465_100000210314 [0,2,0,0,0,0|1,0,1]=4 13912 B14R0.493 C#CCCC(=O)CCOCCCCCC 7a_100011064465_100000210314 [0,2,0,0,0,0|1,0,1]=4 13913 B14R0.493 C#CCCC(=O)NCCCCCCCC 11a_100000229939_100000692101 [0,2,0,0,0,0|1,0,1]=4 13914 B14R0.493 C#CCCC(=O)NCCCCCCCC 1626a_100000229939_100000692101 [0,2,0,0,0,0|1,0,1]=4 13915 B14R0.493 C#CCCC(=O)NCCCCCCCC 240690a_100000229939_100000692101 [0,2,0,0,0,0|1,0,1]=4 13916 B14R0.493 C#CCCC(=O)NCCCCCCCC 527a_100000229939_100000692101 [0,2,0,0,0,0|1,0,1]=4 13917 B14R0.493 C#CCCCCCCCC(=O)C#CCC 1458a_100011827653_100153394163 [0,2,0,0,0,0|1,0,1]=4 13918 B14R0.493 C#CCCCCCCCC(=O)C=CCC 1458a_100000212282_100153394163 [0,2,0,0,0,0|1,0,1]=4 13919 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000087357_100000210211 [0,2,0,0,0,0|1,0,1]=4 13920 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000210183_100153394163 [0,2,0,0,0,0|1,0,1]=4 13921 B14R0.493 C#CCCCCCCCC(=O)CCCF 1458a_100000087357_100011934791 [0,2,0,0,0,0|1,0,1]=4 13922 B14R0.493 C#CCCCCCCCC(=O)CCCO 1458a_100000087357_100011215043 [0,2,0,0,0,0|1,0,1]=4 13923 B14R0.493 C#CCCCCCCCC(=O)CCOC 1458a_100000087357_100000233755 [0,2,0,0,0,0|1,0,1]=4 13924 B14R0.493 C#CCCCCCCCC(=O)CCOC 1458a_100000749529_100153394163 [0,2,0,0,0,0|1,0,1]=4 13925 B14R0.493 C#CCCCCCCCC(=O)CCSC 1458a_100000087357_100000751147 [0,2,0,0,0,0|1,0,1]=4 13926 B14R0.493 C#CCCCCCCCC(=O)CCSC 1458a_100000174002_100153394163 [0,2,0,0,0,0|1,0,1]=4 13927 B14R0.493 C#CCCCCCCCC(=O)COCC 1458a_100000211967_100153394163 [0,2,0,0,0,0|0,0,1]=3 13928 B14R0.493 C#CCCCCCCCC(=O)CSCC 1458a_100000230394_100153394163 [0,2,0,0,0,0|0,1,1]=4 13929 B14R0.493 C#CCCCCCCCC(=O)NCCC 11a_100020643023_100000087357 [0,2,0,0,0,0|1,0,1]=4 13930 B14R0.493 C#CCCCCCCCC(=O)NCCC 1626a_100020643023_100000087357 [0,2,0,0,0,0|1,0,1]=4 13931 B14R0.493 C#CCCCCCCCC(=O)NCCC 240690a_100020643023_100000087357 [0,2,0,0,0,0|1,0,1]=4 13932 B14R0.493 C#CCCCCCCCC(=O)NCCC 527a_100020643023_100000087357 [0,2,0,0,0,0|1,0,1]=4 13933 B14R0.493 C#CCCCCCCCC(=O)NCCF 11a_100000724931_100000087357 [0,2,0,0,0,0|1,0,1]=4 13934 B14R0.493 C#CCCCCCCCC(=O)NCCF 1626a_100000724931_100000087357 [0,2,0,0,0,0|1,0,1]=4 13935 B14R0.493 C#CCCCCCCCC(=O)NCCF 240690a_100000724931_100000087357 [0,2,0,0,0,0|1,0,1]=4 13936 B14R0.493 C#CCCCCCCCC(=O)NCCF 527a_100000724931_100000087357 [0,2,0,0,0,0|1,0,1]=4 13937 B14R0.493 C#CCCCCCCCC(=O)NCCO 240690a_100000210304_100000087357 [0,2,0,0,0,0|1,0,1]=4 13938 B14R0.493 C#CCCCCCCCC(=O)NCCO 527a_100000210304_100000087357 [0,2,0,0,0,0|1,0,1]=4 13939 B14R0.493 C#CCCCCCCCC(=O)NNCC 22a_100000756455_100000087357 [0,2,0,0,0,0|1,0,1]=4 13940 B14R0.493 C#CCCCCCOCC(=O)OCCC 34a_100000766912_200011215008 [0,2,0,0,0,0|0,0,2]=4 13941 B14R0.493 C#CCCCCCOCC(=O)OCCC 7a_100000766912_200011215008 [0,2,0,0,0,0|0,0,2]=4 13942 B14R0.493 C#CCCCCCSCC(=O)OCCC 62a_100012094781_200011215008 [0,2,0,0,0,0|0,0,2]=4 13943 B14R0.493 C#CCCCCCSCC(=O)OCCC 62a_200011215008_100012094781 [0,2,0,0,0,0|0,0,2]=4 13944 B14R0.493 C#CCNC(=O)CCCCCCCCC 11a_100000212058_100000210558 [0,2,0,0,0,0|1,0,1]=4 13945 B14R0.493 C#CCNC(=O)CCCCCCCCC 1626a_100000212058_100000210558 [0,2,0,0,0,0|1,0,1]=4 13946 B14R0.493 C#CCNC(=O)CCCCCCCCC 240690a_100000212058_100000210558 [0,2,0,0,0,0|1,0,1]=4 13947 B14R0.493 C#CCNC(=O)CCCCCCCCC 527a_100000212058_100000210558 [0,2,0,0,0,0|1,0,1]=4 13948 B14R0.493 C#CCNC(=O)CCCCCCCCO 240690a_100000212058_100000015970 [0,2,0,0,0,0|1,0,1]=4 13949 B14R0.493 C#CCNC(=O)CNCCCCCCC 2230a_100000747989_100000210681 [0,2,0,0,0,0|1,0,1]=4 13950 B14R0.493 C#CCNC(=O)CNCCCCCCC 34a_100000747989_100000210614 [0,2,0,0,0,0|1,0,1]=4 13951 B14R0.493 C#CCNC(=O)NCCCCCCCC 2708a_100000212058_100000229939 [0,2,0,0,0,0|1,0,1]=4 13952 B14R0.493 C#CCNC(=O)NCCCCCCCC 2708a_100000229939_100000212058 [0,2,0,0,0,0|1,0,1]=4 13953 B14R0.493 C#CCNC(=O)NCCCCCCCC 273464a_100000212058_100000229939 [0,2,0,0,0,0|1,0,1]=4 13954 B14R0.493 C#CCNC(=O)NCCCCCCCC 273464a_100000229939_100000212058 [0,2,0,0,0,0|1,0,1]=4 13955 B14R0.493 C#CCNC(=O)NCCCCCCCC 512a_100000212058_100000229939 [0,2,0,0,0,0|1,0,1]=4 13956 B14R0.493 C#CCNC(=O)NCCCCCCCC 512a_100000229939_100000212058 [0,2,0,0,0,0|1,0,1]=4 13957 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,2,0,0,0,0|1,0,1]=4 13958 B14R0.493 C=C(CNCCCCCCO)OCOC 34a_100000686447_100000042856 [0,2,0,0,0,0|2,0,0]=4 13959 B14R0.493 C=C(CNCCCCCOC)OCOC 34a_100000747528_100000042856 [0,2,0,0,0,0|2,0,0]=4 13960 B14R0.493 C=C(CNCCCOCCC)OCOC 34a_100011217757_100000042856 [0,2,0,0,0,0|2,0,0]=4 13961 B14R0.493 C=C(COCCCCCCBr)OCOC 34a_100011215345_100000042856 [0,2,0,0,0,0|2,0,0]=4 13962 B14R0.493 C=C(COCCCCCCC)OCOC 34a_100000210272_100000042856 [0,2,0,0,0,0|1,0,0]=3 13963 B14R0.493 C=C(COCCCCCCCl)OCOC 34a_100000766143_100000042856 [0,2,0,0,0,0|2,0,0]=4 13964 B14R0.493 C=C(COCCCCCCF)OCOC 34a_100000732779_100000042856 [0,2,0,0,0,0|2,0,0]=4 13965 B14R0.493 C=C(COCCCCCCN)OCOC 34a_100000686447_100000042856 [0,2,0,0,0,0|2,0,0]=4 13966 B14R0.493 C=C(COCCCCCNC)OCOC 34a_100000722520_100000042856 [0,2,0,0,0,0|2,0,0]=4 13967 B14R0.493 C=C(COCCOCCCC)OCOC 34a_100000210238_100000042856 [0,2,0,0,0,0|2,0,0]=4 13968 B14R0.493 C=C(COCCSCCCC)OCOC 34a_200000230436_100000042856 [0,2,0,0,0,0|2,0,0]=4 13969 B14R0.493 C=C(CSCCCCCCC)OCOC 62a_100000042856_100000210316 [0,2,0,0,0,0|1,0,0]=3 13970 B14R0.493 C=C(CSCCCCCCC)OCOC 62a_100000210614_100000042856 [0,2,0,0,0,0|1,0,0]=3 13971 B14R0.493 C=C(CSCCCCCCF)OCOC 62a_100000042856_100015922095 [0,2,0,0,0,0|2,0,0]=4 13972 B14R0.493 C=C(CSCCCCCCF)OCOC 62a_100015922095_100000042856 [0,2,0,0,0,0|2,0,0]=4 13973 B14R0.493 C=C(CSCCCCCCO)OCOC 62a_100000042856_100000766143 [0,2,0,0,0,0|2,0,0]=4 13974 B14R0.493 C=C(CSCCCCCCO)OCOC 62a_100000766143_100000042856 [0,2,0,0,0,0|2,0,0]=4 13975 B14R0.493 C=C(CSCCOCCCC)OCOC 62a_100000042856_100000743108 [0,2,0,0,0,0|2,0,0]=4 13976 B14R0.493 C=C(CSCCOCCCC)OCOC 62a_100000743108_100000042856 [0,2,0,0,0,0|2,0,0]=4 13977 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,2,0,0,0,0|1,0,1]=4 13978 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,2,0,0,0,0|1,0,1]=4 13979 B14R0.493 C=CCCC(=O)CCCCCCCCO 1458a_100000749702_100000033203 [0,2,0,0,0,0|1,0,1]=4 13980 B14R0.493 C=CCCC(=O)NCCCCCCCC 11a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13981 B14R0.493 C=CCCC(=O)NCCCCCCCC 1626a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13982 B14R0.493 C=CCCC(=O)NCCCCCCCC 240690a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13983 B14R0.493 C=CCCC(=O)NCCCCCCCC 527a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13984 B14R0.493 C=CCCCCCCCC(=O)C#CCC 1458a_100011827653_100012355270 [0,2,0,0,0,0|1,0,1]=4 13985 B14R0.493 C=CCCCCCCCC(=O)C=CCC 1458a_100000212282_100012355270 [0,2,0,0,0,0|1,0,1]=4 13986 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [0,2,0,0,0,0|1,0,1]=4 13987 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [0,2,0,0,0,0|1,0,1]=4 13988 B14R0.493 C=CCCCCCCCC(=O)CCCF 1458a_100011216160_100011934791 [0,2,0,0,0,0|1,0,1]=4 13989 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [0,2,0,0,0,0|1,0,1]=4 13990 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100000749529_100012355270 [0,2,0,0,0,0|1,0,1]=4 13991 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100011216160_100000233755 [0,2,0,0,0,0|1,0,1]=4 13992 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100000174002_100012355270 [0,2,0,0,0,0|1,0,1]=4 13993 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100011216160_100000751147 [0,2,0,0,0,0|1,0,1]=4 13994 B14R0.493 C=CCCCCCCCC(=O)COCC 1458a_100000211967_100012355270 [0,2,0,0,0,0|0,0,1]=3 13995 B14R0.493 C=CCCCCCCCC(=O)CSCC 1458a_100000230394_100012355270 [0,2,0,0,0,0|0,1,1]=4 13996 B14R0.493 C=CCCCCCCCC(=O)NCCC 11a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13997 B14R0.493 C=CCCCCCCCC(=O)NCCC 1626a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13998 B14R0.493 C=CCCCCCCCC(=O)NCCC 240690a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13999 B14R0.493 C=CCCCCCCCC(=O)NCCC 527a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 14000 B14R0.493 C=CCCCCCCCC(=O)NCCF 11a_100000724931_100011216160 [0,2,0,0,0,0|1,0,1]=4 14001 B14R0.493 C=CCCCCCCCC(=O)NCCF 1626a_100000724931_100011216160 [0,2,0,0,0,0|1,0,1]=4 14002 B14R0.493 C=CCCCCCCCC(=O)NCCF 240690a_100000724931_100011216160 [0,2,0,0,0,0|1,0,1]=4 14003 B14R0.493 C=CCCCCCCCC(=O)NCCF 527a_100000724931_100011216160 [0,2,0,0,0,0|1,0,1]=4 14004 B14R0.493 C=CCCCCCCCC(=O)NCCO 240690a_100000210304_100011216160 [0,2,0,0,0,0|1,0,1]=4 14005 B14R0.493 C=CCCCCCCCC(=O)NCCO 527a_100000210304_100011216160 [0,2,0,0,0,0|1,0,1]=4 14006 B14R0.493 C=CCCCCCCCC(=O)NNCC 22a_100000756455_100011216160 [0,2,0,0,0,0|1,0,1]=4 14007 B14R0.493 C=CCCCCCOCC(=O)OCCC 34a_100011216702_200011215008 [0,2,0,0,0,0|0,0,2]=4 14008 B14R0.493 C=CCCCCCOCC(=O)OCCC 7a_100011216702_200011215008 [0,2,0,0,0,0|0,0,2]=4 14009 B14R0.493 C=CCCCCCSCC(=O)OCCC 62a_100000700193_200011215008 [0,2,0,0,0,0|0,0,2]=4 14010 B14R0.493 C=CCCCCCSCC(=O)OCCC 62a_200011215008_100000700193 [0,2,0,0,0,0|0,0,2]=4 14011 B14R0.493 C=CCNC(=O)CCCCCCCCC 1626a_100020586998_100000210558 [0,2,0,0,0,0|1,0,1]=4 14012 B14R0.493 C=CCNC(=O)CCCCCCCCC 240690a_100020586998_100000210558 [0,2,0,0,0,0|1,0,1]=4 14013 B14R0.493 C=CCNC(=O)CCCCCCCCC 527a_100020586998_100000210558 [0,2,0,0,0,0|1,0,1]=4 14014 B14R0.493 C=CCNC(=O)CCCCCCCCO 240690a_100020586998_100000015970 [0,2,0,0,0,0|1,0,1]=4 14015 B14R0.493 C=CCNC(=O)CCNCCCCCC 2230a_100000210581_100011222895 [0,2,0,0,0,0|1,0,1]=4 14016 B14R0.493 C=CCNC(=O)CCOCCCCCC 7a_100000210259_100011222895 [0,2,0,0,0,0|1,0,1]=4 14017 B14R0.493 C=CCNC(=O)CCSCCCCCC 62a_100000210314_100011222895 [0,2,0,0,0,0|1,0,1]=4 14018 B14R0.493 C=CCNC(=O)CCSCCCCCC 62a_100011222895_100000210757 [0,2,0,0,0,0|1,0,1]=4 14019 B14R0.493 C=CCNC(=O)CNCCCCCCC 2230a_100000229938_100000183597 [0,2,0,0,0,0|1,0,1]=4 14020 B14R0.493 C=CCNC(=O)COCCCCCCC 7a_100000210272_100000183597 [0,2,0,0,0,0|1,0,1]=4 14021 B14R0.493 C=CCNC(=O)CSCCCCCCC 62a_100000183597_100000210316 [0,2,0,0,0,0|1,0,1]=4 14022 B14R0.493 C=CCNC(=O)CSCCCCCCC 62a_100000210614_100000183597 [0,2,0,0,0,0|1,0,1]=4 14023 B14R0.493 C=CCNC(=O)NCCCCCCCC 2708a_100000229939_100020586998 [0,2,0,0,0,0|1,0,1]=4 14024 B14R0.493 C=CCNC(=O)NCCCCCCCC 273464a_100000229939_100020586998 [0,2,0,0,0,0|1,0,1]=4 14025 B14R0.493 C=CCNC(=O)NCCCCCCCC 273464a_100020586998_100000229939 [0,2,0,0,0,0|1,0,1]=4 14026 B14R0.493 C=CCNC(=O)NCCCCCCCC 512a_100000229939_100020586998 [0,2,0,0,0,0|1,0,1]=4 14027 B14R0.493 C=CCNC(=O)NCCCCCCCC 512a_100020586998_100000229939 [0,2,0,0,0,0|1,0,1]=4 14028 B14R0.493 C=CCOC(=O)CNCCCCCCC 2230a_100000229938_100000033060 [0,2,0,0,0,0|0,0,1]=3 14029 B14R0.493 C=CCOC(=O)CNCCCCCCO 2230a_100000686447_100000033060 [0,2,0,0,0,0|1,0,1]=4 14030 B14R0.493 C=CCOC(=O)CNCCCCCCO 34a_100000686447_100000033060 [0,2,0,0,0,0|1,0,1]=4 14031 B14R0.493 C=CCOC(=O)CNCCCCCOC 2230a_100000747528_100000033060 [0,2,0,0,0,0|1,0,1]=4 14032 B14R0.493 C=CCOC(=O)CNCCCCCOC 34a_100000747528_100000033060 [0,2,0,0,0,0|1,0,1]=4 14033 B14R0.493 C=CCOC(=O)CNCCCOCCC 2230a_100011217757_100000033060 [0,2,0,0,0,0|1,0,1]=4 14034 B14R0.493 C=CCOC(=O)CNCCCOCCC 34a_100011217757_100000033060 [0,2,0,0,0,0|1,0,1]=4 14035 B14R0.493 C=CCOC(=O)CNCCSCCCC 2230a_100025743550_100000033060 [0,2,0,0,0,0|1,0,1]=4 14036 B14R0.493 C=CCOC(=O)COCCCCCCBr 34a_100011215345_100000033060 [0,2,0,0,0,0|1,0,1]=4 14037 B14R0.493 C=CCOC(=O)COCCCCCCBr 7a_100011215345_100000033060 [0,2,0,0,0,0|1,0,1]=4 14038 B14R0.493 C=CCOC(=O)COCCCCCCC 34a_100000210272_100000033060 [0,2,0,0,0,0|0,0,1]=3 14039 B14R0.493 C=CCOC(=O)COCCCCCCC 7a_100000210272_100000033060 [0,2,0,0,0,0|0,0,1]=3 14040 B14R0.493 C=CCOC(=O)COCCCCCCCl 34a_100000766143_100000033060 [0,2,0,0,0,0|1,0,1]=4 14041 B14R0.493 C=CCOC(=O)COCCCCCCCl 7a_100000766143_100000033060 [0,2,0,0,0,0|1,0,1]=4 14042 B14R0.493 C=CCOC(=O)COCCCCCCF 34a_100000732779_100000033060 [0,2,0,0,0,0|1,0,1]=4 14043 B14R0.493 C=CCOC(=O)COCCCCCCF 7a_100000732779_100000033060 [0,2,0,0,0,0|1,0,1]=4 14044 B14R0.493 C=CCOC(=O)COCCCCCCN 34a_100000686447_100000033060 [0,2,0,0,0,0|1,0,1]=4 14045 B14R0.493 C=CCOC(=O)COCCCCCNC 34a_100000722520_100000033060 [0,2,0,0,0,0|1,0,1]=4 14046 B14R0.493 C=CCOC(=O)COCCOCCCC 34a_100000210238_100000033060 [0,2,0,0,0,0|1,0,1]=4 14047 B14R0.493 C=CCOC(=O)COCCOCCCC 7a_100000210238_100000033060 [0,2,0,0,0,0|1,0,1]=4 14048 B14R0.493 C=CCOC(=O)COCCSCCCC 34a_200000230436_100000033060 [0,2,0,0,0,0|1,0,1]=4 14049 B14R0.493 C=CCOC(=O)COCCSCCCC 7a_200000230436_100000033060 [0,2,0,0,0,0|1,0,1]=4 14050 B14R0.493 C=CCOC(=O)CSCCCCCCC 62a_100000033060_100000210316 [0,2,0,0,0,0|0,0,1]=3 14051 B14R0.493 C=CCOC(=O)CSCCCCCCC 62a_100000210614_100000033060 [0,2,0,0,0,0|0,0,1]=3 14052 B14R0.493 C=CCOC(=O)CSCCCCCCF 62a_100000033060_100015922095 [0,2,0,0,0,0|1,0,1]=4 14053 B14R0.493 C=CCOC(=O)CSCCCCCCF 62a_100015922095_100000033060 [0,2,0,0,0,0|1,0,1]=4 14054 B14R0.493 C=CCOC(=O)CSCCCCCCO 62a_100000033060_100000766143 [0,2,0,0,0,0|1,0,1]=4 14055 B14R0.493 C=CCOC(=O)CSCCCCCCO 62a_100000766143_100000033060 [0,2,0,0,0,0|1,0,1]=4 14056 B14R0.493 C=CCOC(=O)CSCCOCCCC 62a_100000033060_100000743108 [0,2,0,0,0,0|1,0,1]=4 14057 B14R0.493 C=CCOC(=O)CSCCOCCCC 62a_100000743108_100000033060 [0,2,0,0,0,0|1,0,1]=4 14058 B14R0.493 CC#CCC(=O)CCCCCCCCC 1458a_100000210558_100000748600 [0,2,0,0,0,0|1,0,1]=4 14059 B14R0.493 CC/C=C/CCCOCC(=O)OCCC 34a_100016287902_200011215008 [0,2,0,0,0,0|0,0,2]=4 14060 B14R0.493 CC/C=C/CCCOCC(=O)OCCC 7a_100016287902_200011215008 [0,2,0,0,0,0|0,0,2]=4 14061 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,2,0,0,0,0|1,0,1]=4 14062 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,2,0,0,0,0|1,0,1]=4 14063 B14R0.493 CC=CCC(=O)CCCCCCCCO 1458a_100121576822_100000033203 [0,2,0,0,0,0|1,0,1]=4 14064 B14R0.493 CC=CCC(=O)NCCCCCCCC 11a_100000229939_100121576822 [0,2,0,0,0,0|1,0,1]=4 14065 B14R0.493 CC=CCC(=O)NCCCCCCCC 1626a_100000229939_100121576822 [0,2,0,0,0,0|1,0,1]=4 14066 B14R0.493 CC=CCC(=O)NCCCCCCCC 240690a_100000229939_100121576822 [0,2,0,0,0,0|1,0,1]=4 14067 B14R0.493 CC=CCC(=O)NCCCCCCCC 527a_100000229939_100121576822 [0,2,0,0,0,0|1,0,1]=4 14068 B14R0.493 CC=NNC(=O)CCCCCCCCC 4a_100011221126_200000210099 [0,2,0,0,0,0|1,0,1]=4 14069 B14R0.493 CCC#CC(=O)CCCC#CCCCC 1458a_100011827653_200000047210 [0,2,0,0,0,0|1,0,1]=4 14070 B14R0.493 CCC#CC(=O)CCCCCCCCC 1458a_100011827653_100000210670 [0,2,0,0,0,0|1,0,0]=3 14071 B14R0.493 CCC#CC(=O)CCCCCCCCO 1458a_100011827653_100000033203 [0,2,0,0,0,0|1,0,0]=3 14072 B14R0.493 CCC=CC(=O)CCCC#CCCCC 1458a_100000212282_200000047210 [0,2,0,0,0,0|1,0,1]=4 14073 B14R0.493 CCC=CC(=O)CCCCCCCCC 1458a_100000212282_100000210670 [0,2,0,0,0,0|1,0,0]=3 14074 B14R0.493 CCC=CC(=O)CCCCCCCCO 1458a_100000212282_100000033203 [0,2,0,0,0,0|1,0,0]=3 14075 B14R0.493 CCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212282 [0,2,0,0,0,0|1,0,0]=3 14076 B14R0.493 CCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212282 [0,2,0,0,0,0|1,0,0]=3 14077 B14R0.493 CCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212282 [0,2,0,0,0,0|1,0,0]=3 14078 B14R0.493 CCC=CC(=O)NCCCCCCCO 240690a_100011996573_100000212282 [0,2,0,0,0,0|2,0,0]=4 14079 B14R0.493 CCC=CC(=O)NCCCOCCCC 1626a_200000211371_100000212282 [0,2,0,0,0,0|2,0,0]=4 14080 B14R0.493 CCC=CC(=O)NCCCOCCCC 240690a_200000211371_100000212282 [0,2,0,0,0,0|2,0,0]=4 14081 B14R0.493 CCCC#CCCOCC(=O)OCCC 34a_100000042726_200011215008 [0,2,0,0,0,0|0,0,2]=4 14082 B14R0.493 CCCC#CCCOCC(=O)OCCC 7a_100000042726_200011215008 [0,2,0,0,0,0|0,0,2]=4 14083 B14R0.493 CCCC/C=C/COCC(=O)OCCC 34a_200016272032_200011215008 [0,2,0,0,0,0|0,0,2]=4 14084 B14R0.493 CCCC/C=C/COCC(=O)OCCC 7a_200016272032_200011215008 [0,2,0,0,0,0|0,0,2]=4 14085 B14R0.493 CCCCC#CCCCC(=O)CCCC 1458a_100000210183_200000047210 [0,2,0,0,0,0|1,0,1]=4 14086 B14R0.493 CCCCC#CCCCC(=O)CCOC 1458a_100000749529_200000047210 [0,2,0,0,0,0|1,0,1]=4 14087 B14R0.493 CCCCC#CCCCC(=O)CCSC 1458a_100000174002_200000047210 [0,2,0,0,0,0|1,0,1]=4 14088 B14R0.493 CCCCC#CCCCC(=O)COCC 1458a_100000211967_200000047210 [0,2,0,0,0,0|0,0,1]=3 14089 B14R0.493 CCCCC#CCCCC(=O)CSCC 1458a_100000230394_200000047210 [0,2,0,0,0,0|0,1,1]=4 14090 B14R0.493 CCCCC#CCOCC(=O)OCCC 34a_200000034558_200011215008 [0,2,0,0,0,0|0,0,2]=4 14091 B14R0.493 CCCCC#CCOCC(=O)OCCC 7a_200000034558_200011215008 [0,2,0,0,0,0|0,0,2]=4 14092 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [0,2,0,0,0,0|1,0,0]=3 14093 B14R0.493 CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000210183 [0,2,0,0,0,0|2,0,0]=4 14094 B14R0.493 CCCCC/C=C/CCC(=O)CCCC 1458a_200015255902_100000210211 [0,2,0,0,0,0|1,0,1]=4 14095 B14R0.493 CCCCC/C=C/CCC(=O)CCCF 1458a_200015255902_100011934791 [0,2,0,0,0,0|1,0,1]=4 14096 B14R0.493 CCCCC/C=C/CCC(=O)CCCO 1458a_200015255902_100011215043 [0,2,0,0,0,0|1,0,1]=4 14097 B14R0.493 CCCCC/C=C/CCC(=O)CCOC 1458a_200015255902_100000233755 [0,2,0,0,0,0|1,0,1]=4 14098 B14R0.493 CCCCC/C=C/CCC(=O)CCSC 1458a_200015255902_100000751147 [0,2,0,0,0,0|1,0,1]=4 14099 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 11a_100020643023_200015255902 [0,2,0,0,0,0|1,0,1]=4 14100 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 1626a_100020643023_200015255902 [0,2,0,0,0,0|1,0,1]=4 14101 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 240690a_100020643023_200015255902 [0,2,0,0,0,0|1,0,1]=4 14102 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 527a_100020643023_200015255902 [0,2,0,0,0,0|1,0,1]=4 14103 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 11a_100000724931_200015255902 [0,2,0,0,0,0|1,0,1]=4 14104 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 1626a_100000724931_200015255902 [0,2,0,0,0,0|1,0,1]=4 14105 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 240690a_100000724931_200015255902 [0,2,0,0,0,0|1,0,1]=4 14106 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 527a_100000724931_200015255902 [0,2,0,0,0,0|1,0,1]=4 14107 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 240690a_100000210304_200015255902 [0,2,0,0,0,0|1,0,1]=4 14108 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 527a_100000210304_200015255902 [0,2,0,0,0,0|1,0,1]=4 14109 B14R0.493 CCCCC/C=C/CCC(=O)NNCC 22a_100000756455_200015255902 [0,2,0,0,0,0|1,0,1]=4 14110 B14R0.493 CCCCCC/C=C/CC(=O)CCCC 1458a_100020681715_100000210211 [0,2,0,0,0,0|1,0,1]=4 14111 B14R0.493 CCCCCC/C=C/CC(=O)CCCF 1458a_100020681715_100011934791 [0,2,0,0,0,0|1,0,1]=4 14112 B14R0.493 CCCCCC/C=C/CC(=O)CCCO 1458a_100020681715_100011215043 [0,2,0,0,0,0|1,0,1]=4 14113 B14R0.493 CCCCCC/C=C/CC(=O)CCOC 1458a_100020681715_100000233755 [0,2,0,0,0,0|1,0,1]=4 14114 B14R0.493 CCCCCC/C=C/CC(=O)CCSC 1458a_100020681715_100000751147 [0,2,0,0,0,0|1,0,1]=4 14115 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020681715 [0,2,0,0,0,0|1,0,1]=4 14116 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020681715 [0,2,0,0,0,0|1,0,1]=4 14117 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020681715 [0,2,0,0,0,0|1,0,1]=4 14118 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020681715 [0,2,0,0,0,0|1,0,1]=4 14119 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020681715 [0,2,0,0,0,0|1,0,1]=4 14120 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020681715 [0,2,0,0,0,0|1,0,1]=4 14121 B14R0.493 CCCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020681715 [0,2,0,0,0,0|1,0,1]=4 14122 B14R0.493 CCCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020681715 [0,2,0,0,0,0|1,0,1]=4 14123 B14R0.493 CCCCCCC=NNC(=O)COCC 4a_100000216846_100000234349 [0,2,0,0,0,0|1,0,1]=4 14124 B14R0.493 CCCCCCCC=CC(=O)CCCC 1458a_200015332781_100000210211 [0,2,0,0,0,0|1,0,1]=4 14125 B14R0.493 CCCCCCCC=CC(=O)CCCF 1458a_200015332781_100011934791 [0,2,0,0,0,0|1,0,1]=4 14126 B14R0.493 CCCCCCCC=CC(=O)CCCO 1458a_200015332781_100011215043 [0,2,0,0,0,0|1,0,1]=4 14127 B14R0.493 CCCCCCCC=CC(=O)CCOC 1458a_200015332781_100000233755 [0,2,0,0,0,0|1,0,1]=4 14128 B14R0.493 CCCCCCCC=CC(=O)CCSC 1458a_200015332781_100000751147 [0,2,0,0,0,0|1,0,1]=4 14129 B14R0.493 CCCCCCCC=CC(=O)NCCC 11a_100020643023_200015332781 [0,2,0,0,0,0|1,0,1]=4 14130 B14R0.493 CCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015332781 [0,2,0,0,0,0|1,0,1]=4 14131 B14R0.493 CCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015332781 [0,2,0,0,0,0|1,0,1]=4 14132 B14R0.493 CCCCCCCC=CC(=O)NCCF 11a_100000724931_200015332781 [0,2,0,0,0,0|1,0,1]=4 14133 B14R0.493 CCCCCCCC=CC(=O)NCCF 1626a_100000724931_200015332781 [0,2,0,0,0,0|1,0,1]=4 14134 B14R0.493 CCCCCCCC=CC(=O)NCCF 240690a_100000724931_200015332781 [0,2,0,0,0,0|1,0,1]=4 14135 B14R0.493 CCCCCCCC=CC(=O)NCCO 240690a_100000210304_200015332781 [0,2,0,0,0,0|1,0,1]=4 14136 B14R0.493 CCCCCCCC=CC(=O)NNCC 22a_100000756455_200015332781 [0,2,0,0,0,0|1,0,1]=4 14137 B14R0.493 CCCCCCCCCC(=NNCC)C 4a_100000756455_100011215753 [0,2,0,0,0,0|2,0,0]=4 14138 B14R0.493 CCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210670 [0,2,0,0,0,0|1,0,1]=4 14139 B14R0.493 CCCCCCCCCC(=O)C=COC 1458a_100016268678_100000210670 [0,2,0,0,0,0|1,0,1]=4 14140 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100000210558_100011215226 [0,2,0,0,0,0|1,0,1]=4 14141 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210670 [0,2,0,0,0,0|1,0,1]=4 14142 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,2,0,0,0,0|1,0,0]=3 14143 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,2,0,0,0,0|1,0,0]=3 14144 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,2,0,0,0,0|1,0,0]=3 14145 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,2,0,0,0,0|1,0,0]=3 14146 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,2,0,0,0,0|1,0,0]=3 14147 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,2,0,0,0,0|1,0,0]=3 14148 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,2,0,0,0,0|1,0,0]=3 14149 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,2,0,0,0,0|1,0,0]=3 14150 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,2,0,0,0,0|0,0,0]=2 14151 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [0,2,0,0,0,0|0,1,0]=3 14152 B14R0.493 CCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210558 [0,2,0,0,0,0|1,0,1]=4 14153 B14R0.493 CCCCCCCCCC(=O)NCC#N 527a_100000734998_100000210558 [0,2,0,0,0,0|1,0,1]=4 14154 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [0,2,0,0,0,0|1,0,0]=3 14155 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [0,2,0,0,0,0|1,0,0]=3 14156 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [0,2,0,0,0,0|1,0,0]=3 14157 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [0,2,0,0,0,0|1,0,0]=3 14158 B14R0.493 CCCCCCCCCC(=O)NCCF 11a_100000724931_100000210558 [0,2,0,0,0,0|1,0,0]=3 14159 B14R0.493 CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210558 [0,2,0,0,0,0|1,0,0]=3 14160 B14R0.493 CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210558 [0,2,0,0,0,0|1,0,0]=3 14161 B14R0.493 CCCCCCCCCC(=O)NCCF 527a_100000724931_100000210558 [0,2,0,0,0,0|1,0,0]=3 14162 B14R0.493 CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210558 [0,2,0,0,0,0|1,0,0]=3 14163 B14R0.493 CCCCCCCCCC(=O)NCCO 527a_100000210304_100000210558 [0,2,0,0,0,0|1,0,0]=3 14164 B14R0.493 CCCCCCCCCC(=O)NNCC 22a_100000756455_100000210558 [0,2,0,0,0,0|1,0,0]=3 14165 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,2,0,0,0,0|0,0,0]=2 14166 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,2,0,0,0,0|0,0,0]=2 14167 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,2,0,0,0,0|0,0,0]=2 14168 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,2,0,0,0,0|0,0,0]=2 14169 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,2,0,0,0,0|0,0,0]=2 14170 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,2,0,0,0,0|0,0,0]=2 14171 B14R0.493 CCCCCCCCCC(C)OCCC 34a_100011218016_100000210303 [0,2,0,0,0,0|1,0,1]=4 14172 B14R0.493 CCCCCCCCCC(C)OCCC 7a_100011218016_100000210303 [0,2,0,0,0,0|1,0,1]=4 14173 B14R0.493 CCCCCCCCCC(C)OCCF 34a_100011218016_100011217306 [0,2,0,0,0,0|1,0,1]=4 14174 B14R0.493 CCCCCCCCCC(C)OCCF 7a_100011218016_100011217306 [0,2,0,0,0,0|1,0,1]=4 14175 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [0,2,0,0,0,0|1,0,1]=4 14176 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [0,2,0,0,0,0|1,0,1]=4 14177 B14R0.493 CCCCCCCCCC(C)OCSC 34a_100011218016_100011218213 [0,2,0,0,0,0|1,0,1]=4 14178 B14R0.493 CCCCCCCCCN(C)COCC 269982a_100000232482_100000739092 [0,2,0,0,0,0|2,0,0]=4 14179 B14R0.493 CCCCCCCCNC(=O)C=COC 1626a_100000229939_100016268678 [0,2,0,0,0,0|1,0,1]=4 14180 B14R0.493 CCCCCCCCNC(=O)C=COC 240690a_100000229939_100016268678 [0,2,0,0,0,0|1,0,1]=4 14181 B14R0.493 CCCCCCCCNC(=O)CCC#N 11a_100000229939_100011934036 [0,2,0,0,0,0|1,0,1]=4 14182 B14R0.493 CCCCCCCCNC(=O)CCC#N 1626a_100000229939_100011934036 [0,2,0,0,0,0|1,0,1]=4 14183 B14R0.493 CCCCCCCCNC(=O)CCC#N 240690a_100000229939_100011934036 [0,2,0,0,0,0|1,0,1]=4 14184 B14R0.493 CCCCCCCCNC(=O)CCC#N 527a_100000229939_100011934036 [0,2,0,0,0,0|1,0,1]=4 14185 B14R0.493 CCCCCCCCNC(=O)CCCC 11a_100000229939_100000210183 [0,2,0,0,0,0|1,0,0]=3 14186 B14R0.493 CCCCCCCCNC(=O)CCCC 1626a_100000229939_100000210183 [0,2,0,0,0,0|1,0,0]=3 14187 B14R0.493 CCCCCCCCNC(=O)CCCC 240690a_100000229939_100000210183 [0,2,0,0,0,0|1,0,0]=3 14188 B14R0.493 CCCCCCCCNC(=O)CCCC 527a_100000229939_100000210183 [0,2,0,0,0,0|1,0,0]=3 14189 B14R0.493 CCCCCCCCNC(=O)CCOC 11a_100000229939_100000749529 [0,2,0,0,0,0|1,0,0]=3 14190 B14R0.493 CCCCCCCCNC(=O)CCOC 1626a_100000229939_100000749529 [0,2,0,0,0,0|1,0,0]=3 14191 B14R0.493 CCCCCCCCNC(=O)CCOC 240690a_100000229939_100000749529 [0,2,0,0,0,0|1,0,0]=3 14192 B14R0.493 CCCCCCCCNC(=O)CCOC 527a_100000229939_100000749529 [0,2,0,0,0,0|1,0,0]=3 14193 B14R0.493 CCCCCCCCNC(=O)CCSC 11a_100000229939_100000174002 [0,2,0,0,0,0|1,0,0]=3 14194 B14R0.493 CCCCCCCCNC(=O)CCSC 1626a_100000229939_100000174002 [0,2,0,0,0,0|1,0,0]=3 14195 B14R0.493 CCCCCCCCNC(=O)CCSC 240690a_100000229939_100000174002 [0,2,0,0,0,0|1,0,0]=3 14196 B14R0.493 CCCCCCCCNC(=O)CCSC 527a_100000229939_100000174002 [0,2,0,0,0,0|1,0,0]=3 14197 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,2,0,0,0,0|0,0,0]=2 14198 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,2,0,0,0,0|0,0,0]=2 14199 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,2,0,0,0,0|0,0,0]=2 14200 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,2,0,0,0,0|0,0,0]=2 14201 B14R0.493 CCCCCCCCNC(=O)CSCC 11a_100000229939_100000230394 [0,2,0,0,0,0|0,1,0]=3 14202 B14R0.493 CCCCCCCCNC(=O)CSCC 1626a_100000229939_100000230394 [0,2,0,0,0,0|0,1,0]=3 14203 B14R0.493 CCCCCCCCNC(=O)CSCC 240690a_100000229939_100000230394 [0,2,0,0,0,0|0,1,0]=3 14204 B14R0.493 CCCCCCCCNC(=O)CSCC 527a_100000229939_100000230394 [0,2,0,0,0,0|0,1,0]=3 14205 B14R0.493 CCCCCCCCNC(=O)NCC#N 2708a_100000734998_100000229939 [0,2,0,0,0,0|1,0,1]=4 14206 B14R0.493 CCCCCCCCNC(=O)NCC#N 273464a_100000229939_100000734998 [0,2,0,0,0,0|1,0,1]=4 14207 B14R0.493 CCCCCCCCNC(=O)NCC#N 273464a_100000734998_100000229939 [0,2,0,0,0,0|1,0,1]=4 14208 B14R0.493 CCCCCCCCNC(=O)NCC#N 512a_100000229939_100000734998 [0,2,0,0,0,0|1,0,1]=4 14209 B14R0.493 CCCCCCCCNC(=O)NCC#N 512a_100000734998_100000229939 [0,2,0,0,0,0|1,0,1]=4 14210 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100000229939_100020643023 [0,2,0,0,0,0|1,0,0]=3 14211 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100020643023_100000229939 [0,2,0,0,0,0|1,0,0]=3 14212 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100000229939_100020643023 [0,2,0,0,0,0|1,0,0]=3 14213 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100020643023_100000229939 [0,2,0,0,0,0|1,0,0]=3 14214 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100000229939_100020643023 [0,2,0,0,0,0|1,0,0]=3 14215 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100020643023_100000229939 [0,2,0,0,0,0|1,0,0]=3 14216 B14R0.493 CCCCCCCCNC(=O)NCCF 2708a_100000229939_100000724931 [0,2,0,0,0,0|1,0,0]=3 14217 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000229939_100000724931 [0,2,0,0,0,0|1,0,0]=3 14218 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000724931_100000229939 [0,2,0,0,0,0|1,0,0]=3 14219 B14R0.493 CCCCCCCCNC(=O)NCCF 512a_100000229939_100000724931 [0,2,0,0,0,0|1,0,0]=3 14220 B14R0.493 CCCCCCCCNC(=O)NCCO 2708a_100000229939_100000210304 [0,2,0,0,0,0|1,0,0]=3 14221 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000210304_100000229939 [0,2,0,0,0,0|1,0,0]=3 14222 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000229939_100000210304 [0,2,0,0,0,0|1,0,0]=3 14223 B14R0.493 CCCCCCCCNC(=O)NCCO 512a_100000229939_100000210304 [0,2,0,0,0,0|1,0,0]=3 14224 B14R0.493 CCCCCCCCNC(=O)NNCC 273464a_100000229939_100000756455 [0,2,0,0,0,0|1,0,0]=3 14225 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000229939_100000756455 [0,2,0,0,0,0|1,0,0]=3 14226 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000756455_100000229939 [0,2,0,0,0,0|1,0,0]=3 14227 B14R0.493 CCCCCCCCOC(C)COCC 34a_100000718985_100000210759 [0,2,0,0,0,0|1,0,1]=4 14228 B14R0.493 CCCCCCCCOC(C)COCC 7a_100000718985_100000210759 [0,2,0,0,0,0|1,0,1]=4 14229 B14R0.493 CCCCCCCNCC(=O)NCC#N 2230a_100000229938_100000736037 [0,2,0,0,0,0|1,0,1]=4 14230 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210681 [0,2,0,0,0,0|1,0,0]=3 14231 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000229938_100000183358 [0,2,0,0,0,0|1,0,0]=3 14232 B14R0.493 CCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210681 [0,2,0,0,0,0|1,0,0]=3 14233 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,2,0,0,0,0|0,0,0]=2 14234 B14R0.493 CCCCCCCNCC(C)OCCC 2230a_100015185124_100000210681 [0,2,0,0,0,0|1,0,1]=4 14235 B14R0.493 CCCCCCCNCC(C)OCCC 34a_100015185124_100000210614 [0,2,0,0,0,0|1,0,1]=4 14236 B14R0.493 CCCCCCCNCC(O)COCC 2230a_102515437182_100000210681 [0,2,0,0,0,0|0,0,2]=4 14237 B14R0.493 CCCCCCCNCC(O)COCC 34a_102515437182_100000210614 [0,2,0,0,0,0|0,0,2]=4 14238 B14R0.493 CCCCCCCOCC(=O)NCC#N 7a_100000210272_100000736037 [0,2,0,0,0,0|1,0,1]=4 14239 B14R0.493 CCCCCCCOCC(=O)NCCC 34a_100000210272_100000183358 [0,2,0,0,0,0|1,0,0]=3 14240 B14R0.493 CCCCCCCOCC(=O)NCCC 7a_100000210272_100000183358 [0,2,0,0,0,0|1,0,0]=3 14241 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,2,0,0,0,0|0,0,0]=2 14242 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,2,0,0,0,0|0,0,0]=2 14243 B14R0.493 CCCCCCCOC[C@@H](C)OCOC 34a_100016172286_100000210614 [0,2,0,0,0,0|1,0,1]=4 14244 B14R0.493 CCCCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210614 [0,2,0,0,0,0|1,0,1]=4 14245 B14R0.493 CCCCCCCSCC(=O)NCC#N 62a_100000210614_100000736037 [0,2,0,0,0,0|1,0,1]=4 14246 B14R0.493 CCCCCCCSCC(=O)NCC#N 62a_100000736037_100000210316 [0,2,0,0,0,0|1,0,1]=4 14247 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000183358_100000210316 [0,2,0,0,0,0|1,0,0]=3 14248 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000210614_100000183358 [0,2,0,0,0,0|1,0,0]=3 14249 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,2,0,0,0,0|0,0,0]=2 14250 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,2,0,0,0,0|0,0,0]=2 14251 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,2,0,0,0,0|1,0,0]=3 14252 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,2,0,0,0,0|1,0,0]=3 14253 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,2,0,0,0,0|1,0,0]=3 14254 B14R0.493 CCCCCNCCCC(=O)NCCC 2230a_100000209983_100011194427 [0,2,0,0,0,0|1,0,0]=3 14255 B14R0.493 CCCCCOCCCC(=O)NCCC 7a_100000210253_100011194427 [0,2,0,0,0,0|1,0,0]=3 14256 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100000210326_100011194427 [0,2,0,0,0,0|1,0,0]=3 14257 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100011194427_100000210326 [0,2,0,0,0,0|1,0,0]=3 14258 B14R0.493 CCCCOCCCNC(=O)CCCC 1626a_200000211371_100000210183 [0,2,0,0,0,0|2,0,0]=4 14259 B14R0.493 CCCCOCCCNC(=O)CCCC 240690a_200000211371_100000210183 [0,2,0,0,0,0|2,0,0]=4 14260 B14R0.493 CCCCOCCCNC(=O)CCCC 527a_200000211371_100000210183 [0,2,0,0,0,0|2,0,0]=4 14261 B14R0.493 CCCCOCCCNC(=O)CCOC 1626a_200000211371_100000749529 [0,2,0,0,0,0|2,0,0]=4 14262 B14R0.493 CCCCOCCCNC(=O)CCOC 240690a_200000211371_100000749529 [0,2,0,0,0,0|2,0,0]=4 14263 B14R0.493 CCCCOCCCNC(=O)CCOC 527a_200000211371_100000749529 [0,2,0,0,0,0|2,0,0]=4 14264 B14R0.493 CCCCOCCCNC(=O)CCSC 1626a_200000211371_100000174002 [0,2,0,0,0,0|2,0,0]=4 14265 B14R0.493 CCCCOCCCNC(=O)CCSC 240690a_200000211371_100000174002 [0,2,0,0,0,0|2,0,0]=4 14266 B14R0.493 CCCCOCCCNC(=O)CCSC 527a_200000211371_100000174002 [0,2,0,0,0,0|2,0,0]=4 14267 B14R0.493 CCCCOCCCNC(=O)COCC 1626a_200000211371_100000211967 [0,2,0,0,0,0|1,0,0]=3 14268 B14R0.493 CCCCOCCCNC(=O)COCC 240690a_200000211371_100000211967 [0,2,0,0,0,0|1,0,0]=3 14269 B14R0.493 CCCCOCCCNC(=O)COCC 527a_200000211371_100000211967 [0,2,0,0,0,0|1,0,0]=3 14270 B14R0.493 CCCCOCCCNC(=O)CSCC 1626a_200000211371_100000230394 [0,2,0,0,0,0|1,1,0]=4 14271 B14R0.493 CCCCOCCCNC(=O)CSCC 240690a_200000211371_100000230394 [0,2,0,0,0,0|1,1,0]=4 14272 B14R0.493 CCCCOCCCNC(=O)CSCC 527a_200000211371_100000230394 [0,2,0,0,0,0|1,1,0]=4 14273 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_100020643023_200000211371 [0,2,0,0,0,0|2,0,0]=4 14274 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_200000211371_100020643023 [0,2,0,0,0,0|2,0,0]=4 14275 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_100020643023_200000211371 [0,2,0,0,0,0|2,0,0]=4 14276 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_200000211371_100020643023 [0,2,0,0,0,0|2,0,0]=4 14277 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_100020643023_200000211371 [0,2,0,0,0,0|2,0,0]=4 14278 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_200000211371_100020643023 [0,2,0,0,0,0|2,0,0]=4 14279 B14R0.493 CCCCOCCCNC(=O)NCCF 2708a_200000211371_100000724931 [0,2,0,0,0,0|2,0,0]=4 14280 B14R0.493 CCCCOCCCNC(=O)NCCF 273464a_100000724931_200000211371 [0,2,0,0,0,0|2,0,0]=4 14281 B14R0.493 CCCCOCCCNC(=O)NCCF 273464a_200000211371_100000724931 [0,2,0,0,0,0|2,0,0]=4 14282 B14R0.493 CCCCOCCCNC(=O)NCCF 512a_200000211371_100000724931 [0,2,0,0,0,0|2,0,0]=4 14283 B14R0.493 CCCCOCCCNC(=O)NCCO 2708a_200000211371_100000210304 [0,2,0,0,0,0|2,0,0]=4 14284 B14R0.493 CCCCOCCCNC(=O)NCCO 273464a_100000210304_200000211371 [0,2,0,0,0,0|2,0,0]=4 14285 B14R0.493 CCCCOCCCNC(=O)NCCO 273464a_200000211371_100000210304 [0,2,0,0,0,0|2,0,0]=4 14286 B14R0.493 CCCCOCCCNC(=O)NCCO 512a_200000211371_100000210304 [0,2,0,0,0,0|2,0,0]=4 14287 B14R0.493 CCCCOCCCNC(=O)NNCC 273464a_200000211371_100000756455 [0,2,0,0,0,0|2,0,0]=4 14288 B14R0.493 CCCCOCCCNC(=O)NNCC 512a_100000756455_200000211371 [0,2,0,0,0,0|2,0,0]=4 14289 B14R0.493 CCCCOCCCNC(=O)NNCC 512a_200000211371_100000756455 [0,2,0,0,0,0|2,0,0]=4 14290 B14R0.493 CCCCOCCNCC(=O)NCCC 2230a_100000174927_100000743108 [0,2,0,0,0,0|2,0,0]=4 14291 B14R0.493 CCCCOCCNCC(=O)NCCF 2230a_100000725713_100000743108 [0,2,0,0,0,0|2,0,0]=4 14292 B14R0.493 CCCCOCCOCC(=O)CCCC 1458a_100011216887_100000210211 [0,2,0,0,0,0|2,0,0]=4 14293 B14R0.493 CCCCOCCOCC(=O)CCCF 1458a_100011216887_100011934791 [0,2,0,0,0,0|2,0,0]=4 14294 B14R0.493 CCCCOCCOCC(=O)CCCO 1458a_100011216887_100011215043 [0,2,0,0,0,0|2,0,0]=4 14295 B14R0.493 CCCCOCCOCC(=O)CCOC 1458a_100011216887_100000233755 [0,2,0,0,0,0|2,0,0]=4 14296 B14R0.493 CCCCOCCOCC(=O)CCSC 1458a_100011216887_100000751147 [0,2,0,0,0,0|2,0,0]=4 14297 B14R0.493 CCCCOCCOCC(=O)NCCC 11a_100020643023_100011216887 [0,2,0,0,0,0|2,0,0]=4 14298 B14R0.493 CCCCOCCOCC(=O)NCCC 1626a_100020643023_100011216887 [0,2,0,0,0,0|2,0,0]=4 14299 B14R0.493 CCCCOCCOCC(=O)NCCC 240690a_100020643023_100011216887 [0,2,0,0,0,0|2,0,0]=4 14300 B14R0.493 CCCCOCCOCC(=O)NCCC 34a_100000210238_100000183358 [0,2,0,0,0,0|2,0,0]=4 14301 B14R0.493 CCCCOCCOCC(=O)NCCC 527a_100020643023_100011216887 [0,2,0,0,0,0|2,0,0]=4 14302 B14R0.493 CCCCOCCOCC(=O)NCCC 7a_100000210238_100000183358 [0,2,0,0,0,0|2,0,0]=4 14303 B14R0.493 CCCCOCCOCC(=O)NCCF 11a_100000724931_100011216887 [0,2,0,0,0,0|2,0,0]=4 14304 B14R0.493 CCCCOCCOCC(=O)NCCF 1626a_100000724931_100011216887 [0,2,0,0,0,0|2,0,0]=4 14305 B14R0.493 CCCCOCCOCC(=O)NCCF 240690a_100000724931_100011216887 [0,2,0,0,0,0|2,0,0]=4 14306 B14R0.493 CCCCOCCOCC(=O)NCCF 527a_100000724931_100011216887 [0,2,0,0,0,0|2,0,0]=4 14307 B14R0.493 CCCCOCCOCC(=O)NCCO 240690a_100000210304_100011216887 [0,2,0,0,0,0|2,0,0]=4 14308 B14R0.493 CCCCOCCOCC(=O)NCCO 527a_100000210304_100011216887 [0,2,0,0,0,0|2,0,0]=4 14309 B14R0.493 CCCCOCCOCC(=O)NNCC 22a_100000756455_100011216887 [0,2,0,0,0,0|2,0,0]=4 14310 B14R0.493 CCCCOCCOCC(=O)OCCC 34a_100000210238_200011215008 [0,2,0,0,0,0|1,0,0]=3 14311 B14R0.493 CCCCOCCOCC(=O)OCCC 7a_100000210238_200011215008 [0,2,0,0,0,0|1,0,0]=3 14312 B14R0.493 CCCCOCCSCC(=O)NCCC 62a_100000183358_100000743108 [0,2,0,0,0,0|2,0,0]=4 14313 B14R0.493 CCCCOCCSCC(=O)NCCC 62a_100000743108_100000183358 [0,2,0,0,0,0|2,0,0]=4 14314 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_100000743108_200011215008 [0,2,0,0,0,0|1,0,0]=3 14315 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_200011215008_100000743108 [0,2,0,0,0,0|1,0,0]=3 14316 B14R0.493 CCCCOCSCOC(=O)OCCC 62a_100011995733_200000139673 [0,2,0,0,0,0|2,0,0]=4 14317 B14R0.493 CCCCSCCNCC(=O)NCCC 2230a_100025743550_100000183358 [0,2,0,0,0,0|2,0,0]=4 14318 B14R0.493 CCCCSCCNCC(=O)OCCC 2230a_100025743550_200011215008 [0,2,0,0,0,0|1,0,0]=3 14319 B14R0.493 CCCCSCCOCC(=O)NCCC 34a_200000230436_100000183358 [0,2,0,0,0,0|2,0,0]=4 14320 B14R0.493 CCCCSCCOCC(=O)NCCC 7a_200000230436_100000183358 [0,2,0,0,0,0|2,0,0]=4 14321 B14R0.493 CCCCSCCOCC(=O)OCCC 34a_200000230436_200011215008 [0,2,0,0,0,0|1,0,0]=3 14322 B14R0.493 CCCCSCCOCC(=O)OCCC 7a_200000230436_200011215008 [0,2,0,0,0,0|1,0,0]=3 14323 B14R0.493 CCCNC(=O)CCCCCCCCO 240690a_100020643023_100000015970 [0,2,0,0,0,0|1,0,0]=3 14324 B14R0.493 CCCNC(=O)CCCNCCCCO 2230a_100000750430_100011194427 [0,2,0,0,0,0|2,0,0]=4 14325 B14R0.493 CCCNC(=O)CCCNCCCSC 2230a_100000749238_100011194427 [0,2,0,0,0,0|2,0,0]=4 14326 B14R0.493 CCCNC(=O)CCCNCCOCC 2230a_102516460346_100011194427 [0,2,0,0,0,0|2,0,0]=4 14327 B14R0.493 CCCNC(=O)CCCNCCSCC 2230a_100000106463_100011194427 [0,2,0,0,0,0|2,0,0]=4 14328 B14R0.493 CCCNC(=O)CCCOCCCCCl 7a_100000210776_100011194427 [0,2,0,0,0,0|2,0,0]=4 14329 B14R0.493 CCCNC(=O)CCCOCCCCF 7a_100011995726_100011194427 [0,2,0,0,0,0|2,0,0]=4 14330 B14R0.493 CCCNC(=O)CCCOCCCSC 7a_100000690336_100011194427 [0,2,0,0,0,0|2,0,0]=4 14331 B14R0.493 CCCNC(=O)CCCOCCOCC 7a_100000210136_100011194427 [0,2,0,0,0,0|2,0,0]=4 14332 B14R0.493 CCCNC(=O)CCCOCCSCC 7a_100000212035_100011194427 [0,2,0,0,0,0|2,0,0]=4 14333 B14R0.493 CCCNC(=O)CCCSCCCCF 62a_100000729493_100011194427 [0,2,0,0,0,0|2,0,0]=4 14334 B14R0.493 CCCNC(=O)CCCSCCCCF 62a_100011194427_100000729493 [0,2,0,0,0,0|2,0,0]=4 14335 B14R0.493 CCCNC(=O)CCCSCCCCO 62a_100000210776_100011194427 [0,2,0,0,0,0|2,0,0]=4 14336 B14R0.493 CCCNC(=O)CCCSCCCCO 62a_100011194427_100000210776 [0,2,0,0,0,0|2,0,0]=4 14337 B14R0.493 CCCNC(=O)CCCSCCCOC 62a_100000709357_100011194427 [0,2,0,0,0,0|2,0,0]=4 14338 B14R0.493 CCCNC(=O)CCCSCCCOC 62a_100011194427_100000709357 [0,2,0,0,0,0|2,0,0]=4 14339 B14R0.493 CCCNC(=O)CCCSCCOCC 62a_100000210147_100011194427 [0,2,0,0,0,0|2,0,0]=4 14340 B14R0.493 CCCNC(=O)CCCSCCOCC 62a_100011194427_100011215890 [0,2,0,0,0,0|2,0,0]=4 14341 B14R0.493 CCCNC(=O)CCCSCCSCC 62a_100000757381_100011194427 [0,2,0,0,0,0|2,0,0]=4 14342 B14R0.493 CCCNC(=O)CCCSCCSCC 62a_100011194427_100000757381 [0,2,0,0,0,0|2,0,0]=4 14343 B14R0.493 CCCNC(=O)CNCCCCCCF 2230a_100000174927_100015922095 [0,2,0,0,0,0|2,0,0]=4 14344 B14R0.493 CCCNC(=O)CNCCCCCCO 2230a_100000174927_100000766143 [0,2,0,0,0,0|2,0,0]=4 14345 B14R0.493 CCCNC(=O)CNCCCCCCO 2230a_100000686447_100000183358 [0,2,0,0,0,0|2,0,0]=4 14346 B14R0.493 CCCNC(=O)CNCCCCCCO 34a_100000686447_100000183358 [0,2,0,0,0,0|2,0,0]=4 14347 B14R0.493 CCCNC(=O)CNCCCCCOC 2230a_100000747528_100000183358 [0,2,0,0,0,0|2,0,0]=4 14348 B14R0.493 CCCNC(=O)CNCCCCCOC 34a_100000747528_100000183358 [0,2,0,0,0,0|2,0,0]=4 14349 B14R0.493 CCCNC(=O)CNCCCOCCC 2230a_100011217757_100000183358 [0,2,0,0,0,0|2,0,0]=4 14350 B14R0.493 CCCNC(=O)CNCCCOCCC 34a_100011217757_100000183358 [0,2,0,0,0,0|2,0,0]=4 14351 B14R0.493 CCCNC(=O)COCCCCCCBr 34a_100011215345_100000183358 [0,2,0,0,0,0|2,0,0]=4 14352 B14R0.493 CCCNC(=O)COCCCCCCBr 7a_100011215345_100000183358 [0,2,0,0,0,0|2,0,0]=4 14353 B14R0.493 CCCNC(=O)COCCCCCCCl 34a_100000766143_100000183358 [0,2,0,0,0,0|2,0,0]=4 14354 B14R0.493 CCCNC(=O)COCCCCCCCl 7a_100000766143_100000183358 [0,2,0,0,0,0|2,0,0]=4 14355 B14R0.493 CCCNC(=O)COCCCCCCF 34a_100000732779_100000183358 [0,2,0,0,0,0|2,0,0]=4 14356 B14R0.493 CCCNC(=O)COCCCCCCF 7a_100000732779_100000183358 [0,2,0,0,0,0|2,0,0]=4 14357 B14R0.493 CCCNC(=O)COCCCCCCN 34a_100000686447_100000183358 [0,2,0,0,0,0|2,0,0]=4 14358 B14R0.493 CCCNC(=O)COCCCCCNC 34a_100000722520_100000183358 [0,2,0,0,0,0|2,0,0]=4 14359 B14R0.493 CCCNC(=O)CSCCCCCCF 62a_100000183358_100015922095 [0,2,0,0,0,0|2,0,0]=4 14360 B14R0.493 CCCNC(=O)CSCCCCCCF 62a_100015922095_100000183358 [0,2,0,0,0,0|2,0,0]=4 14361 B14R0.493 CCCNC(=O)CSCCCCCCO 62a_100000183358_100000766143 [0,2,0,0,0,0|2,0,0]=4 14362 B14R0.493 CCCNC(=O)CSCCCCCCO 62a_100000766143_100000183358 [0,2,0,0,0,0|2,0,0]=4 14363 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100011996573_100020643023 [0,2,0,0,0,0|2,0,0]=4 14364 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100020643023_100011996573 [0,2,0,0,0,0|2,0,0]=4 14365 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100011996573_100020643023 [0,2,0,0,0,0|2,0,0]=4 14366 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100020643023_100011996573 [0,2,0,0,0,0|2,0,0]=4 14367 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100011996573_100020643023 [0,2,0,0,0,0|2,0,0]=4 14368 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100020643023_100011996573 [0,2,0,0,0,0|2,0,0]=4 14369 B14R0.493 CCCOC(=O)CNCCCCCCO 2230a_100000686447_200011215008 [0,2,0,0,0,0|1,0,0]=3 14370 B14R0.493 CCCOC(=O)CNCCCCCCO 34a_100000686447_200011215008 [0,2,0,0,0,0|1,0,0]=3 14371 B14R0.493 CCCOC(=O)CNCCCCCOC 2230a_100000747528_200011215008 [0,2,0,0,0,0|1,0,0]=3 14372 B14R0.493 CCCOC(=O)CNCCCCCOC 34a_100000747528_200011215008 [0,2,0,0,0,0|1,0,0]=3 14373 B14R0.493 CCCOC(=O)CNCCOCCOC 2230a_100000745349_200011215008 [0,2,0,0,0,0|2,0,0]=4 14374 B14R0.493 CCCOC(=O)CNCCOCCOC 34a_100000745349_200011215008 [0,2,0,0,0,0|2,0,0]=4 14375 B14R0.493 CCCOC(=O)COCCCCCCBr 34a_100011215345_200011215008 [0,2,0,0,0,0|1,0,0]=3 14376 B14R0.493 CCCOC(=O)COCCCCCCBr 7a_100011215345_200011215008 [0,2,0,0,0,0|1,0,0]=3 14377 B14R0.493 CCCOC(=O)COCCCCCCCl 34a_100000766143_200011215008 [0,2,0,0,0,0|1,0,0]=3 14378 B14R0.493 CCCOC(=O)COCCCCCCCl 7a_100000766143_200011215008 [0,2,0,0,0,0|1,0,0]=3 14379 B14R0.493 CCCOC(=O)COCCCCCCF 34a_100000732779_200011215008 [0,2,0,0,0,0|1,0,0]=3 14380 B14R0.493 CCCOC(=O)COCCCCCCF 7a_100000732779_200011215008 [0,2,0,0,0,0|1,0,0]=3 14381 B14R0.493 CCCOC(=O)COCCCCCCN 34a_100000686447_200011215008 [0,2,0,0,0,0|1,0,0]=3 14382 B14R0.493 CCCOC(=O)COCCCCCNC 34a_100000722520_200011215008 [0,2,0,0,0,0|1,0,0]=3 14383 B14R0.493 CCCOC(=O)COCCOCCNC 34a_100000228057_200011215008 [0,2,0,0,0,0|2,0,0]=4 14384 B14R0.493 CCCOC(=O)COCCOCCOC 34a_100011215163_200011215008 [0,2,0,0,0,0|2,0,0]=4 14385 B14R0.493 CCCOC(=O)COCCOCCOC 7a_100011215163_200011215008 [0,2,0,0,0,0|2,0,0]=4 14386 B14R0.493 CCCOC(=O)CSCCCCCC#N 62a_100009813376_200011215008 [0,2,0,0,0,0|1,0,1]=4 14387 B14R0.493 CCCOC(=O)CSCCCCCC#N 62a_200011215008_100009813376 [0,2,0,0,0,0|1,0,1]=4 14388 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_100000139337_200011215008 [0,2,0,0,0,0|1,0,1]=4 14389 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_200011215008_100000139337 [0,2,0,0,0,0|1,0,1]=4 14390 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_100015922095_200011215008 [0,2,0,0,0,0|1,0,0]=3 14391 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_200011215008_100015922095 [0,2,0,0,0,0|1,0,0]=3 14392 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_100000766143_200011215008 [0,2,0,0,0,0|1,0,0]=3 14393 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_200011215008_100000766143 [0,2,0,0,0,0|1,0,0]=3 14394 B14R0.493 CCCOC(=O)CSCCOCCOC 62a_100000695917_200011215008 [0,2,0,0,0,0|2,0,0]=4 14395 B14R0.493 CCCOC(=O)CSCCOCCOC 62a_200011215008_100000695917 [0,2,0,0,0,0|2,0,0]=4 14396 B14R0.493 CCCOC(=O)OCNCCCCCO 34a_100000762737_200000139673 [0,2,0,0,0,0|2,0,0]=4 14397 B14R0.493 CCCOC(=O)OCNCCCOCC 34a_100000210961_200000139673 [0,2,0,0,0,0|2,0,0]=4 14398 B14R0.493 CCCOC(=O)OCOCCCCCBr 34a_100000746331_200000139673 [0,2,0,0,0,0|2,0,0]=4 14399 B14R0.493 CCCOC(=O)OCOCCCCCBr 7a_100000746331_200000139673 [0,2,0,0,0,0|2,0,0]=4 14400 B14R0.493 CCCOC(=O)OCOCCCCCCl 34a_100000746330_200000139673 [0,2,0,0,0,0|2,0,0]=4 14401 B14R0.493 CCCOC(=O)OCOCCCCCCl 7a_100000746330_200000139673 [0,2,0,0,0,0|2,0,0]=4 14402 B14R0.493 CCCOC(=O)OCOCCCCCI 34a_200012148887_200000139673 [0,2,0,0,0,0|2,0,0]=4 14403 B14R0.493 CCCOC(=O)OCOCCCCCI 7a_200012148887_200000139673 [0,2,0,0,0,0|2,0,0]=4 14404 B14R0.493 CCCOC(=O)OCOCCCCCN 34a_100000762737_200000139673 [0,2,0,0,0,0|2,0,0]=4 14405 B14R0.493 CCCOC(=O)OCOCCCCOC 34a_100000740925_200000139673 [0,2,0,0,0,0|2,0,0]=4 14406 B14R0.493 CCCOC(=O)OCOCCCCSC 34a_100011217163_200000139673 [0,2,0,0,0,0|2,0,0]=4 14407 B14R0.493 CCCOC(=O)OCOCCCCSC 7a_100011217163_200000139673 [0,2,0,0,0,0|2,0,0]=4 14408 B14R0.493 CCCOC(=O)OCOCCCOCC 34a_100000757476_200000139673 [0,2,0,0,0,0|2,0,0]=4 14409 B14R0.493 CCCOC(=O)OCOCCCOCC 7a_100000757476_200000139673 [0,2,0,0,0,0|2,0,0]=4 14410 B14R0.493 CCCOC(=O)OCOCCCSCC 34a_100011216438_200000139673 [0,2,0,0,0,0|2,0,0]=4 14411 B14R0.493 CCCOC(=O)OCOCCCSCC 7a_100011216438_200000139673 [0,2,0,0,0,0|2,0,0]=4 14412 B14R0.493 CCCOC(=O)OCOCCSCCC 34a_200000230433_200000139673 [0,2,0,0,0,0|2,0,0]=4 14413 B14R0.493 CCCOC(=O)OCOCCSCCC 7a_200000230433_200000139673 [0,2,0,0,0,0|2,0,0]=4 14414 B14R0.493 CCCOC(=O)OCSCCCCCF 62a_100000729378_200000139673 [0,2,0,0,0,0|2,0,0]=4 14415 B14R0.493 CCCOC(=O)OCSCCCCCO 62a_100000746330_200000139673 [0,2,0,0,0,0|2,0,0]=4 14416 B14R0.493 CCCOC(=O)OCSCCCCOC 62a_100000730899_200000139673 [0,2,0,0,0,0|2,0,0]=4 14417 B14R0.493 CCCOC(=O)OCSCCCOCC 62a_100012232248_200000139673 [0,2,0,0,0,0|2,0,0]=4 14418 B14R0.493 CCCOCCCNCC(=O)OCCC 2230a_100011217757_200011215008 [0,2,0,0,0,0|1,0,0]=3 14419 B14R0.493 CCCOCCCNCC(=O)OCCC 34a_100011217757_200011215008 [0,2,0,0,0,0|1,0,0]=3 14420 B14R0.493 CCCOCCNCOC(=O)OCCC 34a_100161115042_200000139673 [0,2,0,0,0,0|2,0,0]=4 14421 B14R0.493 CCCOCCOCOC(=O)OCCC 34a_100000752267_200000139673 [0,2,0,0,0,0|2,0,0]=4 14422 B14R0.493 CCCOCCOCOC(=O)OCCC 7a_100000752267_200000139673 [0,2,0,0,0,0|2,0,0]=4 14423 B14R0.493 CCCOCCSCOC(=O)OCCC 62a_100011215938_200000139673 [0,2,0,0,0,0|2,0,0]=4 14424 B14R0.493 CCNNC(=O)CCCCCCCCO 22a_100000756455_100000015970 [0,2,0,0,0,0|1,0,0]=3 14425 B14R0.493 CCNNC(=O)NCCCCCCCO 273464a_100011996573_100000756455 [0,2,0,0,0,0|2,0,0]=4 14426 B14R0.493 CCNNC(=O)NCCCCCCCO 512a_100000756455_100011996573 [0,2,0,0,0,0|2,0,0]=4 14427 B14R0.493 CCNNC(=O)NCCCCCCCO 512a_100011996573_100000756455 [0,2,0,0,0,0|2,0,0]=4 14428 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,2,0,0,0,0|0,0,0]=2 14429 B14R0.493 CCOCC(=O)CCOCCOCCO 1458a_100000211967_100000032323 [0,2,0,0,0,0|2,0,0]=4 14430 B14R0.493 CCOCC(=O)NCCCCCCCO 240690a_100011996573_100000211967 [0,2,0,0,0,0|1,0,0]=3 14431 B14R0.493 CCOCC(=O)NCCCOCCCO 240690a_100011310245_100000211967 [0,2,0,0,0,0|2,0,0]=4 14432 B14R0.493 CCOCC(=O)NCCCOCCOC 1626a_100000206027_100000211967 [0,2,0,0,0,0|2,0,0]=4 14433 B14R0.493 CCOCC(=O)NCCCOCCOC 240690a_100000206027_100000211967 [0,2,0,0,0,0|2,0,0]=4 14434 B14R0.493 CCOCCOCCNC(=O)COCC 11a_100102712874_100000211967 [0,2,0,0,0,0|2,0,0]=4 14435 B14R0.493 CCOCCOCCNC(=O)COCC 1626a_100102712874_100000211967 [0,2,0,0,0,0|2,0,0]=4 14436 B14R0.493 CCOCCOCCNC(=O)COCC 240690a_100102712874_100000211967 [0,2,0,0,0,0|2,0,0]=4 14437 B14R0.493 CCOCCOCCNC(=O)COCC 527a_100102712874_100000211967 [0,2,0,0,0,0|2,0,0]=4 14438 B14R0.493 CCSCC(=O)CCCCCCCCO 1458a_100000230394_100000033203 [0,2,0,0,0,0|0,1,0]=3 14439 B14R0.493 CCSCC(=O)NCCCCCCCO 240690a_100011996573_100000230394 [0,2,0,0,0,0|1,1,0]=4 14440 B14R0.493 COC=CC(=O)CCCCCCCCO 1458a_100016268678_100000033203 [0,2,0,0,0,0|1,0,1]=4 14441 B14R0.493 COCCC(=O)CCCCCCCCO 1458a_100000749529_100000033203 [0,2,0,0,0,0|1,0,0]=3 14442 B14R0.493 COCCC(=O)NCCCCCCCO 240690a_100011996573_100000749529 [0,2,0,0,0,0|2,0,0]=4 14443 B14R0.493 CSCCC(=O)CCCCCCCCO 1458a_100000174002_100000033203 [0,2,0,0,0,0|1,0,0]=3 14444 B14R0.493 CSCCC(=O)NCCCCCCCO 240690a_100011996573_100000174002 [0,2,0,0,0,0|2,0,0]=4 14445 B14R0.493 N#CCCC(=O)CCCCCCCCO 1458a_100011934036_100000033203 [0,2,0,0,0,0|1,0,1]=4 14446 B14R0.493 O=C(C#CCO)CCCCCCCCO 1458a_100000049017_100000033203 [0,2,0,0,0,0|1,0,1]=4 14447 B14R0.493 O=C(CCCCCCCCO)NCCF 240690a_100000724931_100000015970 [0,2,0,0,0,0|1,0,0]=3 14448 B14R0.493 O=C(CCCCCCCCO)NCCO 240690a_100000210304_100000015970 [0,2,0,0,0,0|1,0,0]=3 14449 B14R0.493 O=C(CNCCCCCCF)NCCF 2230a_100000725713_100015922095 [0,2,0,0,0,0|2,0,0]=4 14450 B14R0.493 O=C(CNCCCCCCO)NCCF 2230a_100000725713_100000766143 [0,2,0,0,0,0|2,0,0]=4 14451 B14R0.493 O=C(NCCF)NCCCCCCCO 2708a_100011996573_100000724931 [0,2,0,0,0,0|2,0,0]=4 14452 B14R0.493 O=C(NCCF)NCCCCCCCO 273464a_100000724931_100011996573 [0,2,0,0,0,0|2,0,0]=4 14453 B14R0.493 O=C(NCCF)NCCCCCCCO 273464a_100011996573_100000724931 [0,2,0,0,0,0|2,0,0]=4 14454 B14R0.493 O=C(NCCF)NCCCCCCCO 512a_100011996573_100000724931 [0,2,0,0,0,0|2,0,0]=4 14455 B14R0.493 O=C(NCCO)NCCCCCCCO 2708a_100011996573_100000210304 [0,2,0,0,0,0|2,0,0]=4 14456 B14R0.493 O=C(NCCO)NCCCCCCCO 273464a_100000210304_100011996573 [0,2,0,0,0,0|2,0,0]=4 14457 B14R0.493 O=C(NCCO)NCCCCCCCO 273464a_100011996573_100000210304 [0,2,0,0,0,0|2,0,0]=4 14458 B14R0.493 O=C(NCCO)NCCCCCCCO 512a_100011996573_100000210304 [0,2,0,0,0,0|2,0,0]=4 14459 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 270084a_100000229939_100000211391 [0,2,0,0,0,0|2,0,0]=4 14460 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 274078a_100000229939_100000211391 [0,2,0,0,0,0|2,0,0]=4 14461 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 40a_100000229939_100000054278 [0,2,0,0,0,0|2,0,0]=4 14462 B14R0.1390 CCCCCCCSC[Si](C)(C)OCC 62a_100000210614_200000065227 [0,2,0,0,0,0|1,1,0]=4 14463 B14R0.1390 CCCCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210316 [0,2,0,0,0,0|1,1,0]=4 14464 B14R0.1390 CCCCCNCCC[Si](C)(C)OCC 2230a_100000209983_100000070546 [0,2,0,0,0,0|1,1,0]=4 14465 B14R0.1390 CCCCCOCCC[Si](C)(C)OCC 34a_100000210253_100000070546 [0,2,0,0,0,0|1,1,0]=4 14466 B14R0.1390 CCCCCOCCC[Si](C)(C)OCC 7a_100000210253_100000070546 [0,2,0,0,0,0|1,1,0]=4 14467 B14R0.1390 CCCCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210326 [0,2,0,0,0,0|1,1,0]=4 14468 B14R0.1390 CCCCCSCCC[Si](C)(C)OCC 62a_100000210326_100000070546 [0,2,0,0,0,0|1,1,0]=4 14469 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000731252 [0,2,0,0,0,0|0,0,2]=4 14470 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000690238_100011215271 [0,2,0,0,0,0|0,0,2]=4 14471 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000757094 [0,2,0,0,0,0|0,0,2]=4 14472 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000766728_100011215271 [0,2,0,0,0,0|0,0,2]=4 14473 B14R0.2432 CC/C=C/CC(=O)CCCC(=O)OCC 1458a_100016274230_100011215271 [0,2,0,0,0,0|0,0,2]=4 14474 B14R0.2432 CC/C=C\CC(=O)CCCC(=O)OCC 1458a_100000210991_100103147603 [0,2,0,0,0,0|0,0,2]=4 14475 B14R0.2432 CCC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100009813939 [0,2,0,0,0,0|0,0,2]=4 14476 B14R0.2432 CCC#CCC(C)OCCC(=O)OCC 34a_200000035118_100000765890 [0,2,0,0,0,0|0,0,2]=4 14477 B14R0.2432 CCC#CCC(C)OCCC(=O)OCC 7a_200000035118_100011206558 [0,2,0,0,0,0|0,0,2]=4 14478 B14R0.2432 CCCC#CC(=O)CCCC(=O)OCC 1458a_200011218047_100011215271 [0,2,0,0,0,0|0,0,2]=4 14479 B14R0.2432 CCCC=CC(=O)CCCC(=O)OCC 1458a_100000212230_100011215271 [0,2,0,0,0,0|0,0,2]=4 14480 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,2,0,0,0,0|1,0,0]=3 14481 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,2,0,0,0,0|0,0,0]=2 14482 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,2,0,0,0,0|0,0,0]=2 14483 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,2,0,0,0,0|0,0,1]=3 14484 B14R0.2432 CCCCCC(=O)CNCC(=O)NCC 2230a_100016988866_200012276598 [0,2,0,0,0,0|1,0,1]=4 14485 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_100000747444_200012276598 [0,2,0,0,0,0|1,0,1]=4 14486 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_200012276598_100000747444 [0,2,0,0,0,0|1,0,1]=4 14487 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_100000183381_200012276598 [0,2,0,0,0,0|1,0,1]=4 14488 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_200012276598_100000183381 [0,2,0,0,0,0|1,0,1]=4 14489 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,2,0,0,0,0|0,0,1]=3 14490 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,2,0,0,0,0|0,0,1]=3 14491 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000212188 [0,2,0,0,0,0|1,0,1]=4 14492 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000212188 [0,2,0,0,0,0|1,0,1]=4 14493 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000212188 [0,2,0,0,0,0|1,0,1]=4 14494 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000212188 [0,2,0,0,0,0|1,0,1]=4 14495 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,2,0,0,0,0|0,0,1]=3 14496 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 2230a_100000211957_100000737597 [0,2,0,0,0,0|1,0,0]=3 14497 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211708 [0,2,0,0,0,0|1,0,0]=3 14498 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 34a_100025743525_200011218191 [0,2,0,0,0,0|1,0,0]=3 14499 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,2,0,0,0,0|0,0,0]=2 14500 B14R0.2432 CCCCCC(C)NCOC(=O)CCC 2230a_100000211957_100000034017 [0,2,0,0,0,0|2,0,0]=4 14501 B14R0.2432 CCCCCC(C)OCCC(=O)NCC 7a_100011215632_100000737597 [0,2,0,0,0,0|1,0,0]=3 14502 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,2,0,0,0,0|0,0,0]=2 14503 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,2,0,0,0,0|0,0,0]=2 14504 B14R0.2432 CCCCCC(C)OCOC(=O)CCC 34a_100011215632_100000034017 [0,2,0,0,0,0|2,0,0]=4 14505 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_100000737597_200011218191 [0,2,0,0,0,0|1,0,0]=3 14506 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_200011218191_100000737597 [0,2,0,0,0,0|1,0,0]=3 14507 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,2,0,0,0,0|0,0,0]=2 14508 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,2,0,0,0,0|0,0,0]=2 14509 B14R0.2432 CCCCCC(C)SCOC(=O)CCC 62a_200011218191_100000034017 [0,2,0,0,0,0|2,0,0]=4 14510 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,2,0,0,0,0|1,0,0]=3 14511 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,2,0,0,0,0|1,0,0]=3 14512 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,2,0,0,0,0|1,0,0]=3 14513 B14R0.2432 CCCCCC(O)CCCC(=O)NNC 22a_100016993582_100020618878 [0,2,0,0,0,0|2,0,0]=4 14514 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 2230a_100000223495_100016267167 [0,2,0,0,0,0|0,0,2]=4 14515 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 269982a_100000223495_100016267167 [0,2,0,0,0,0|0,0,2]=4 14516 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,2,0,0,0,0|0,0,0]=2 14517 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,2,0,0,0,0|0,0,0]=2 14518 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,2,0,0,0,0|1,0,0]=3 14519 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 11a_100000102301_100000199580 [0,2,0,0,0,0|1,0,1]=4 14520 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 1626a_100000102301_100000199580 [0,2,0,0,0,0|1,0,1]=4 14521 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 240690a_100000102301_100000199580 [0,2,0,0,0,0|1,0,1]=4 14522 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 527a_100000102301_100000199580 [0,2,0,0,0,0|1,0,1]=4 14523 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 11a_100000102301_100000210991 [0,2,0,0,0,0|0,0,1]=3 14524 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 1626a_100000102301_100000210991 [0,2,0,0,0,0|0,0,1]=3 14525 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 240690a_100000102301_100000210991 [0,2,0,0,0,0|0,0,1]=3 14526 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 527a_100000102301_100000210991 [0,2,0,0,0,0|0,0,1]=3 14527 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000182744_100000188475 [0,2,0,0,0,0|1,0,1]=4 14528 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000182744 [0,2,0,0,0,0|1,0,1]=4 14529 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000188475_100000211628 [0,2,0,0,0,0|1,0,1]=4 14530 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000211628_100000188475 [0,2,0,0,0,0|1,0,1]=4 14531 B14R0.2432 CCCNN=C(C)CCCC(=O)OCC 4a_100000740057_100000032325 [0,2,0,0,0,0|1,0,1]=4 14532 B14R0.2432 CCCNNC(=O)CCCC(=O)OCC 22a_100000740057_100000210991 [0,2,0,0,0,0|1,0,1]=4 14533 B14R0.2432 CCCOCC(=O)CCCC(=O)OCC 1458a_100000745993_100011215271 [0,2,0,0,0,0|0,0,1]=3 14534 B14R0.2432 CCCOCC(=O)CCNC(=O)OCC 1458a_100000745993_200011445536 [0,2,0,0,0,0|1,0,1]=4 14535 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000745993 [0,2,0,0,0,0|1,0,1]=4 14536 B14R0.2432 CCCSCC(=O)CCCC(=O)OCC 1458a_100000217233_100011215271 [0,2,0,0,0,0|0,0,1]=3 14537 B14R0.2432 CCCSCC(=O)CCNC(=O)OCC 1458a_100000217233_200011445536 [0,2,0,0,0,0|1,0,1]=4 14538 B14R0.2432 CCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000217233 [0,2,0,0,0,0|1,0,1]=4 14539 B14R0.2432 CCCSCC(C)NCCC(=O)NCC 270004a_100025743525_100011343953 [0,2,0,0,0,0|2,0,0]=4 14540 B14R0.2432 CCNC(=O)CCCC(=O)CCCCF 1458a_100000199580_100000729493 [0,2,0,0,0,0|1,0,1]=4 14541 B14R0.2432 CCNC(=O)CCCC(=O)CCCCO 1458a_100000199580_100000210776 [0,2,0,0,0,0|1,0,1]=4 14542 B14R0.2432 CCNC(=O)CCCC(=O)CCCOC 1458a_100000199580_100000740836 [0,2,0,0,0,0|1,0,1]=4 14543 B14R0.2432 CCNC(=O)CCCC(=O)CCOCC 1458a_100000199580_100011215890 [0,2,0,0,0,0|1,0,1]=4 14544 B14R0.2432 CCNC(=O)CCCC(=O)CCSCC 1458a_100000199580_100000757381 [0,2,0,0,0,0|1,0,1]=4 14545 B14R0.2432 CCNC(=O)CCNC(C)CCCSC 270004a_100025743525_100011399439 [0,2,0,0,0,0|2,0,0]=4 14546 B14R0.2432 CCNC(=O)CCNC(C)CCOCC 270004a_100025743525_200011216536 [0,2,0,0,0,0|2,0,0]=4 14547 B14R0.2432 CCNC(=O)CCOC(C)CCCOC 7a_200011539412_100000737597 [0,2,0,0,0,0|2,0,0]=4 14548 B14R0.2432 CCNC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000183381 [0,2,0,0,0,0|2,0,0]=4 14549 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215271 [0,2,0,0,0,0|0,0,2]=4 14550 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000210991_100000211468 [0,2,0,0,0,0|0,0,2]=4 14551 B14R0.2432 CCOC(=O)CCCC(=O)CCCCF 1458a_100000210991_100000729493 [0,2,0,0,0,0|0,0,1]=3 14552 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000210991_100000210776 [0,2,0,0,0,0|0,0,1]=3 14553 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215271 [0,2,0,0,0,0|0,0,1]=3 14554 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000210991_100000740836 [0,2,0,0,0,0|0,0,1]=3 14555 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000741012_100011215271 [0,2,0,0,0,0|0,0,1]=3 14556 B14R0.2432 CCOC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011215271 [0,2,0,0,0,0|0,0,1]=3 14557 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000210991_100000757381 [0,2,0,0,0,0|0,0,1]=3 14558 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000230768_100011215271 [0,2,0,0,0,0|0,0,1]=3 14559 B14R0.2432 CCOC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215271 [0,2,0,0,0,0|1,0,1]=4 14560 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 11a_100015189416_100000210991 [0,2,0,0,0,0|1,0,1]=4 14561 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000210991 [0,2,0,0,0,0|1,0,1]=4 14562 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000210991 [0,2,0,0,0,0|1,0,1]=4 14563 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 527a_100015189416_100000210991 [0,2,0,0,0,0|1,0,1]=4 14564 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000210991 [0,2,0,0,0,0|1,0,1]=4 14565 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 527a_100000182051_100000210991 [0,2,0,0,0,0|1,0,1]=4 14566 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 1626a_100000209980_100000210991 [0,2,0,0,0,0|1,0,1]=4 14567 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 240690a_100000209980_100000210991 [0,2,0,0,0,0|1,0,1]=4 14568 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 527a_100000209980_100000210991 [0,2,0,0,0,0|1,0,1]=4 14569 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 11a_100020590264_100000210991 [0,2,0,0,0,0|1,0,1]=4 14570 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000210991 [0,2,0,0,0,0|1,0,1]=4 14571 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000210991 [0,2,0,0,0,0|1,0,1]=4 14572 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 527a_100020590264_100000210991 [0,2,0,0,0,0|1,0,1]=4 14573 B14R0.2432 CCOC(=O)CCCN(C)CCCCO 2230a_100000717598_100009991533 [0,2,0,0,0,0|1,0,0]=3 14574 B14R0.2432 CCOC(=O)CCCN(C)CCCCO 269982a_100000717598_100009991533 [0,2,0,0,0,0|1,0,0]=3 14575 B14R0.2432 CCOC(=O)CCCN(C)CCCOC 2230a_100000224831_100009991533 [0,2,0,0,0,0|1,0,0]=3 14576 B14R0.2432 CCOC(=O)CCCN(C)CCCOC 269982a_100000224831_100009991533 [0,2,0,0,0,0|1,0,0]=3 14577 B14R0.2432 CCOC(=O)CCNC(=O)CCCCO 188690a_100000746078_100000695505 [0,2,0,0,0,0|1,0,1]=4 14578 B14R0.2432 CCOC(=O)CCNC(=O)CCCOC 188690a_100000746078_100000741012 [0,2,0,0,0,0|1,0,1]=4 14579 B14R0.2432 CCOC(=O)CCNC(=O)CCCSC 188690a_100000746078_100000173376 [0,2,0,0,0,0|1,0,1]=4 14580 B14R0.2432 CCOC(=O)CCNC(=O)CCSCC 188690a_100000746078_100000230768 [0,2,0,0,0,0|1,0,1]=4 14581 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 34a_200011539412_100000765890 [0,2,0,0,0,0|1,0,0]=3 14582 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 7a_200011539412_100011206558 [0,2,0,0,0,0|1,0,0]=3 14583 B14R0.2432 CCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000188475 [0,2,0,0,0,0|1,0,0]=3 14584 B14R0.2432 CCOC(=O)NCCC(=O)CCCCO 1458a_100000695505_200011445536 [0,2,0,0,0,0|1,0,1]=4 14585 B14R0.2432 CCOC(=O)NCCC(=O)CCCOC 1458a_100000741012_200011445536 [0,2,0,0,0,0|1,0,1]=4 14586 B14R0.2432 CCOC(=O)NCCC(=O)CCCSC 1458a_100000173376_200011445536 [0,2,0,0,0,0|1,0,1]=4 14587 B14R0.2432 CCOC(=O)NCCC(=O)CCSCC 1458a_100000230768_200011445536 [0,2,0,0,0,0|1,0,1]=4 14588 B14R0.2432 CCOC(=O)NCCN(C)CCCCO 269982a_100000717598_200011445536 [0,2,0,0,0,0|2,0,0]=4 14589 B14R0.2432 CCOC(=O)NCCN(C)CCCOC 269982a_100000224831_200011445536 [0,2,0,0,0,0|2,0,0]=4 14590 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215890 [0,2,0,0,0,0|0,0,1]=3 14591 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000749530_100011215271 [0,2,0,0,0,0|0,0,1]=3 14592 B14R0.2432 CCOCCC(=O)CCNC(=O)OCC 1458a_100000749530_200011445536 [0,2,0,0,0,0|1,0,1]=4 14593 B14R0.2432 CCOCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749530 [0,2,0,0,0,0|1,0,1]=4 14594 B14R0.11 C=C(COCC(C)CCCC)OCOC 34a_100011995851_100000042856 [0,2,0,0,0,0|2,0,0]=4 14595 B14R0.11 C=C(COC[C@@H](N)CCCC)OCOC 34a_100011934283_100000042856 [0,2,0,0,0,0|2,0,0]=4 14596 B14R0.11 C=CCOC(=O)COCC(C)CCCC 34a_100011995851_100000033060 [0,2,0,0,0,0|1,0,1]=4 14597 B14R0.11 C=CCOC(=O)COCC(C)CCCC 7a_100011995851_100000033060 [0,2,0,0,0,0|1,0,1]=4 14598 B14R0.11 C=CCOC(=O)COC[C@@H](N)CCCC 34a_100011934283_100000033060 [0,2,0,0,0,0|1,0,1]=4 14599 B14R0.11 CCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210211 [0,2,0,0,0,0|1,0,1]=4 14600 B14R0.11 CCCCC(=O)CCCC(=O)NCCC 1458a_100000210183_100011194427 [0,2,0,0,0,0|1,0,1]=4 14601 B14R0.11 CCCCC(C)COCC(=O)NCCC 34a_100011995851_100000183358 [0,2,0,0,0,0|2,0,0]=4 14602 B14R0.11 CCCCC(C)COCC(=O)NCCC 7a_100011995851_100000183358 [0,2,0,0,0,0|2,0,0]=4 14603 B14R0.11 CCCCC(C)COCC(=O)OCCC 34a_100011995851_200011215008 [0,2,0,0,0,0|1,0,0]=3 14604 B14R0.11 CCCCC(C)COCC(=O)OCCC 7a_100011995851_200011215008 [0,2,0,0,0,0|1,0,0]=3 14605 B14R0.11 CCCCC(C)OCOC(=O)OCCC 34a_100000687866_200000139673 [0,2,0,0,0,0|2,0,0]=4 14606 B14R0.11 CCCCC(C)OCOC(=O)OCCC 7a_100000687866_200000139673 [0,2,0,0,0,0|2,0,0]=4 14607 B14R0.11 CCCCC(C)SCOC(=O)OCCC 62a_200011215066_200000139673 [0,2,0,0,0,0|2,0,0]=4 14608 B14R0.11 CCCCN(C)CCCC(=O)NCCC 2230a_100000207549_100011194427 [0,2,0,0,0,0|2,0,0]=4 14609 B14R0.11 CCCCN(C)CCCC(=O)NCCC 269982a_100000207549_100011194427 [0,2,0,0,0,0|2,0,0]=4 14610 B14R0.11 CCCCN(C)CCNC(=O)COCC 1626a_200000754967_100000211967 [0,2,0,0,0,0|2,0,0]=4 14611 B14R0.11 CCCCN(C)CCNC(=O)COCC 240690a_200000754967_100000211967 [0,2,0,0,0,0|2,0,0]=4 14612 B14R0.11 CCCCN(C)CCNC(=O)COCC 527a_200000754967_100000211967 [0,2,0,0,0,0|2,0,0]=4 14613 B14R0.11 CCCC[C@H](N)COCC(=O)NCCC 34a_100011934283_100000183358 [0,2,0,0,0,0|2,0,0]=4 14614 B14R0.11 CCCC[C@H](N)COCC(=O)OCCC 34a_100011934283_200011215008 [0,2,0,0,0,0|1,0,0]=3 14615 B14R0.11 CCCNC(=O)CCCC(=O)COCC 1458a_100000211967_100011194427 [0,2,0,0,0,0|1,0,1]=4 14616 B14R0.11 CCCOC(=O)CNCC(C)OCCC 2230a_100015185124_200011215008 [0,2,0,0,0,0|2,0,0]=4 14617 B14R0.11 CCCOC(=O)CNCC(C)OCCC 34a_100015185124_200011215008 [0,2,0,0,0,0|2,0,0]=4 14618 B14R0.11 CCCOC(=O)CNCC(O)COCC 2230a_102515437182_200011215008 [0,2,0,0,0,0|2,0,0]=4 14619 B14R0.11 CCCOC(=O)CNCC(O)COCC 34a_102515437182_200011215008 [0,2,0,0,0,0|2,0,0]=4 14620 B14R0.11 CCCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_200011215008 [0,2,0,0,0,0|2,0,0]=4 14621 B14R0.11 CCCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_200011215008 [0,2,0,0,0,0|2,0,0]=4 14622 B14R0.11 CCCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_200011215008 [0,2,0,0,0,0|2,0,0]=4 14623 B14R0.80 CCCCCCCCC(=NNCC)CC 4a_100000756455_200011217995 [0,2,0,0,0,0|2,0,0]=4 14624 B14R0.80 CCCCCCCCC(CC)OCCC 34a_200011216270_100000210303 [0,2,0,0,0,0|1,0,1]=4 14625 B14R0.80 CCCCCCCCC(CC)OCCC 7a_200011216270_100000210303 [0,2,0,0,0,0|1,0,1]=4 14626 B14R0.80 CCCCCCCCC(CC)OCCF 34a_200011216270_100011217306 [0,2,0,0,0,0|1,0,1]=4 14627 B14R0.80 CCCCCCCCC(CC)OCCF 7a_200011216270_100011217306 [0,2,0,0,0,0|1,0,1]=4 14628 B14R0.80 CCCCCCCCC(CC)OCCO 34a_200011216270_100000211926 [0,2,0,0,0,0|1,0,1]=4 14629 B14R0.80 CCCCCCCCC(CC)OCCO 7a_200011216270_100000211926 [0,2,0,0,0,0|1,0,1]=4 14630 B14R0.80 CCCCCCCCC(CC)OCSC 34a_200011216270_100011218213 [0,2,0,0,0,0|1,0,1]=4 14631 B14R0.82 C#CC(C)NC(=O)CCCCCCCC 11a_100000707721_100000210188 [0,2,0,0,0,0|1,0,0]=3 14632 B14R0.82 C#CC(C)NC(=O)CCCCCCCC 1626a_100000707721_100000210188 [0,2,0,0,0,0|1,0,0]=3 14633 B14R0.82 C#CC(C)NC(=O)CCCCCCCC 240690a_100000707721_100000210188 [0,2,0,0,0,0|1,0,0]=3 14634 B14R0.82 C#CC(C)NC(=O)CCCCCCCC 527a_100000707721_100000210188 [0,2,0,0,0,0|1,0,0]=3 14635 B14R0.82 C#CC(C)NC(=O)CCCCCCCO 240690a_100000707721_100011219782 [0,2,0,0,0,0|2,0,0]=4 14636 B14R0.82 C#CC(C)NC(=O)NCCCCCCC 2708a_100000229938_100000707721 [0,2,0,0,0,0|2,0,0]=4 14637 B14R0.82 C#CC(C)NC(=O)NCCCCCCC 2708a_100000707721_100000229938 [0,2,0,0,0,0|2,0,0]=4 14638 B14R0.82 C#CC(C)NC(=O)NCCCCCCC 273464a_100000229938_100000707721 [0,2,0,0,0,0|2,0,0]=4 14639 B14R0.82 C#CC(C)NC(=O)NCCCCCCC 273464a_100000707721_100000229938 [0,2,0,0,0,0|2,0,0]=4 14640 B14R0.82 C#CC(C)NC(=O)NCCCCCCC 512a_100000229938_100000707721 [0,2,0,0,0,0|2,0,0]=4 14641 B14R0.82 C#CC(C)NC(=O)NCCCCCCC 512a_100000707721_100000229938 [0,2,0,0,0,0|2,0,0]=4 14642 B14R0.82 C#CC(C)OC(C)CCCCCCCC 34a_100000210740_200000035995 [0,2,0,0,0,0|1,0,1]=4 14643 B14R0.82 C=CC(C)CC(=O)CCCCCCCC 1458a_100011934298_100000210759 [0,2,0,0,0,0|1,0,0]=3 14644 B14R0.82 C=CC(C)CC(=O)CCCCCCCO 1458a_100011934298_100000760002 [0,2,0,0,0,0|2,0,0]=4 14645 B14R0.82 C=CC(C)CC(=O)CCCCCCOC 1458a_100011934298_100011998445 [0,2,0,0,0,0|2,0,0]=4 14646 B14R0.82 C=CC(C)CC(=O)NCCCCCCC 11a_100000229938_100011934298 [0,2,0,0,0,0|2,0,0]=4 14647 B14R0.82 C=CC(C)CC(=O)NCCCCCCC 1626a_100000229938_100011934298 [0,2,0,0,0,0|2,0,0]=4 14648 B14R0.82 C=CC(C)CC(=O)NCCCCCCC 240690a_100000229938_100011934298 [0,2,0,0,0,0|2,0,0]=4 14649 B14R0.82 C=CC(C)CC(=O)NCCCCCCC 527a_100000229938_100011934298 [0,2,0,0,0,0|2,0,0]=4 14650 B14R0.82 CCC(=CC(=O)CCCCCCCO)C 1458a_100020758463_100000760002 [0,2,0,0,0,0|2,0,0]=4 14651 B14R0.82 CCC(=CC(=O)CCCCCCOC)C 1458a_100020758463_100011998445 [0,2,0,0,0,0|2,0,0]=4 14652 B14R0.82 CCC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747405 [0,2,0,0,0,0|2,0,0]=4 14653 B14R0.82 CCC(C)CC(=O)CCCCCCCO 1458a_100000708755_100000760002 [0,2,0,0,0,0|2,0,0]=4 14654 B14R0.82 CCC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748023 [0,2,0,0,0,0|2,0,0]=4 14655 B14R0.82 CCC(C)CC(=O)CCCCCCOC 1458a_100000708755_100011998445 [0,2,0,0,0,0|2,0,0]=4 14656 B14R0.82 CCC(C)NC(=O)CCCCCCCO 240690a_100000209981_100011219782 [0,2,0,0,0,0|2,0,0]=4 14657 B14R0.82 CCC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218378 [0,2,0,0,0,0|2,0,0]=4 14658 B14R0.82 CCC(O)CC(=O)CCCCCCCO 1458a_100011667805_100000760002 [0,2,0,0,0,0|2,0,0]=4 14659 B14R0.82 CCC(O)CC(=O)CCCCCCOC 1458a_100011667805_100011998445 [0,2,0,0,0,0|2,0,0]=4 14660 B14R0.82 CCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210759 [0,2,0,0,0,0|1,0,0]=3 14661 B14R0.82 CCCCCCCCC(=O)CC(=O)CC 1458a_100000210188_100000747405 [0,2,0,0,0,0|1,0,0]=3 14662 B14R0.82 CCCCCCCCC(=O)CC(=O)NC 1458a_100000210188_100000183359 [0,2,0,0,0,0|1,0,1]=4 14663 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000210188_100000747449 [0,2,0,0,0,0|1,0,1]=4 14664 B14R0.82 CCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210759 [0,2,0,0,0,0|1,0,1]=4 14665 B14R0.82 CCCCCCCCC(=O)CC(C)CC 1458a_100000210188_100000748023 [0,2,0,0,0,0|1,0,0]=3 14666 B14R0.82 CCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210759 [0,2,0,0,0,0|1,0,0]=3 14667 B14R0.82 CCCCCCCCC(=O)CC(O)CC 1458a_100000210188_100011218378 [0,2,0,0,0,0|1,0,0]=3 14668 B14R0.82 CCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210759 [0,2,0,0,0,0|1,0,0]=3 14669 B14R0.82 CCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210759 [0,2,0,0,0,0|1,0,0]=3 14670 B14R0.82 CCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210188_100009816398 [0,2,0,0,0,0|1,0,0]=3 14671 B14R0.82 CCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210188_100000059175 [0,2,0,0,0,0|1,0,0]=3 14672 B14R0.82 CCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000210188 [0,2,0,0,0,0|1,0,0]=3 14673 B14R0.82 CCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000210188 [0,2,0,0,0,0|1,0,0]=3 14674 B14R0.82 CCCCCCCCC(=O)NC(C)C#N 527a_100000737613_100000210188 [0,2,0,0,0,0|1,0,0]=3 14675 B14R0.82 CCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210188 [0,2,0,0,0,0|1,0,0]=3 14676 B14R0.82 CCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210188 [0,2,0,0,0,0|1,0,0]=3 14677 B14R0.82 CCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210188 [0,2,0,0,0,0|1,0,0]=3 14678 B14R0.82 CCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000210188 [0,2,0,0,0,0|1,0,0]=3 14679 B14R0.82 CCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210188 [0,2,0,0,0,0|1,0,0]=3 14680 B14R0.82 CCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210188 [0,2,0,0,0,0|1,0,0]=3 14681 B14R0.82 CCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210188 [0,2,0,0,0,0|1,0,0]=3 14682 B14R0.82 CCCCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210188 [0,2,0,0,0,0|1,0,0]=3 14683 B14R0.82 CCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210188 [0,2,0,0,0,0|1,0,0]=3 14684 B14R0.82 CCCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210188 [0,2,0,0,0,0|1,0,0]=3 14685 B14R0.82 CCCCCCCCC(C)OC(C)C#N 7a_100000210740_100000703298 [0,2,0,0,0,0|1,0,1]=4 14686 B14R0.82 CCCCCCCCC(C)OC(C)CC 34a_100000210740_100011215416 [0,2,0,0,0,0|1,0,1]=4 14687 B14R0.82 CCCCCCCCC(C)OC(C)CC 7a_100000210740_100000758301 [0,2,0,0,0,0|1,0,1]=4 14688 B14R0.82 CCCCCCCCC(C)OC(C)CO 34a_100000210740_100012180447 [0,2,0,0,0,0|1,0,1]=4 14689 B14R0.82 CCCCCCCCC(C)OC(C)CO 7a_100000210740_100012180447 [0,2,0,0,0,0|1,0,1]=4 14690 B14R0.82 CCCCCCCNC(=O)C=C(C)CC 11a_100000229938_100020758463 [0,2,0,0,0,0|2,0,0]=4 14691 B14R0.82 CCCCCCCNC(=O)C=C(C)CC 1626a_100000229938_100020758463 [0,2,0,0,0,0|2,0,0]=4 14692 B14R0.82 CCCCCCCNC(=O)C=C(C)CC 240690a_100000229938_100020758463 [0,2,0,0,0,0|2,0,0]=4 14693 B14R0.82 CCCCCCCNC(=O)CC(C)CC 11a_100000229938_100000708755 [0,2,0,0,0,0|2,0,0]=4 14694 B14R0.82 CCCCCCCNC(=O)CC(C)CC 1626a_100000229938_100000708755 [0,2,0,0,0,0|2,0,0]=4 14695 B14R0.82 CCCCCCCNC(=O)CC(C)CC 240690a_100000229938_100000708755 [0,2,0,0,0,0|2,0,0]=4 14696 B14R0.82 CCCCCCCNC(=O)CC(C)CC 527a_100000229938_100000708755 [0,2,0,0,0,0|2,0,0]=4 14697 B14R0.82 CCCCCCCNC(=O)CC(O)CC 1626a_100000229938_100011667805 [0,2,0,0,0,0|2,0,0]=4 14698 B14R0.82 CCCCCCCNC(=O)CC(O)CC 240690a_100000229938_100011667805 [0,2,0,0,0,0|2,0,0]=4 14699 B14R0.82 CCCCCCCNC(=O)CN(C)CC 240690a_100000229938_100116209913 [0,2,0,0,0,0|2,0,0]=4 14700 B14R0.82 CCCCCCCNC(=O)CN(C)CC 527a_100000229938_100116209913 [0,2,0,0,0,0|2,0,0]=4 14701 B14R0.82 CCCCCCCNC(=O)NC(C)C#N 2708a_100000229938_100000737613 [0,2,0,0,0,0|2,0,0]=4 14702 B14R0.82 CCCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000229938 [0,2,0,0,0,0|2,0,0]=4 14703 B14R0.82 CCCCCCCNC(=O)NC(C)C#N 273464a_100000229938_100000737613 [0,2,0,0,0,0|2,0,0]=4 14704 B14R0.82 CCCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000229938 [0,2,0,0,0,0|2,0,0]=4 14705 B14R0.82 CCCCCCCNC(=O)NC(C)C#N 512a_100000229938_100000737613 [0,2,0,0,0,0|2,0,0]=4 14706 B14R0.82 CCCCCCCNC(=O)NC(C)C#N 512a_100000737613_100000229938 [0,2,0,0,0,0|2,0,0]=4 14707 B14R0.82 CCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000229938 [0,2,0,0,0,0|2,0,0]=4 14708 B14R0.82 CCCCCCCNC(=O)NC(C)CC 2708a_100000229938_100000209981 [0,2,0,0,0,0|2,0,0]=4 14709 B14R0.82 CCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000229938 [0,2,0,0,0,0|2,0,0]=4 14710 B14R0.82 CCCCCCCNC(=O)NC(C)CC 273464a_100000229938_100000209981 [0,2,0,0,0,0|2,0,0]=4 14711 B14R0.82 CCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000229938 [0,2,0,0,0,0|2,0,0]=4 14712 B14R0.82 CCCCCCCNC(=O)NC(C)CC 512a_100000229938_100000209981 [0,2,0,0,0,0|2,0,0]=4 14713 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CF 2708a_100000229938_100102880703 [0,2,0,0,0,0|2,0,0]=4 14714 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CF 273464a_100000229938_100102880703 [0,2,0,0,0,0|2,0,0]=4 14715 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000229938 [0,2,0,0,0,0|2,0,0]=4 14716 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CF 512a_100000229938_100102880703 [0,2,0,0,0,0|2,0,0]=4 14717 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000229938 [0,2,0,0,0,0|2,0,0]=4 14718 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CO 2708a_100000229938_100000737577 [0,2,0,0,0,0|2,0,0]=4 14719 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000229938 [0,2,0,0,0,0|2,0,0]=4 14720 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CO 512a_100000229938_100000737577 [0,2,0,0,0,0|2,0,0]=4 14721 B14R0.82 CCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000229938 [0,2,0,0,0,0|2,0,0]=4 14722 B14R0.82 CCCCCCNCC(=O)NC(C)CC 2230a_100000210581_100000182745 [0,2,0,0,0,0|2,0,0]=4 14723 B14R0.82 CCCCCCOCC(=O)NC(C)CC 34a_100000210259_100000182745 [0,2,0,0,0,0|2,0,0]=4 14724 B14R0.82 CCCCCCOCC(=O)NC(C)CC 7a_100000210259_100000182745 [0,2,0,0,0,0|2,0,0]=4 14725 B14R0.82 CCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210757 [0,2,0,0,0,0|2,0,0]=4 14726 B14R0.82 CCCCCCSCC(=O)NC(C)CC 62a_100000210314_100000182745 [0,2,0,0,0,0|2,0,0]=4 14727 B14R0.82 CCN(C)CC(=O)CCCCCCCO 1458a_100116209913_100000760002 [0,2,0,0,0,0|2,0,0]=4 14728 B14R0.82 CCN(C)CC(=O)CCCCCCOC 1458a_100116209913_100011998445 [0,2,0,0,0,0|2,0,0]=4 14729 B14R0.82 CC[C@H](C)CC(=O)CCCCCCCO 1458a_100011219782_100009816398 [0,2,0,0,0,0|2,0,0]=4 14730 B14R0.82 C[C@@H](CO)CC(=O)CCCCCCCO 1458a_100011219782_100000059175 [0,2,0,0,0,0|2,0,0]=4 14731 B14R0.82 C[C@H](CF)NC(=O)CCCCCCCO 240690a_100102880703_100011219782 [0,2,0,0,0,0|2,0,0]=4 14732 B14R0.82 C[C@H](CO)NC(=O)CCCCCCCO 240690a_100000737577_100011219782 [0,2,0,0,0,0|2,0,0]=4 14733 B14R0.152 C#CC(O)CCCCCC(=O)COCC 1458a_100000211967_200010408556 [0,2,0,0,0,0|0,0,2]=4 14734 B14R0.152 C=CCOC(=O)COCCCC(C)CC 7a_100011216074_100000033060 [0,2,0,0,0,0|1,0,1]=4 14735 B14R0.152 CCCNC(=O)CCCNCC(C)CC 2230a_100020588543_100011194427 [0,2,0,0,0,0|2,0,0]=4 14736 B14R0.152 CCCNC(=O)CCCNCC(O)CC 2230a_100011218483_100011194427 [0,2,0,0,0,0|2,0,0]=4 14737 B14R0.152 CCCNC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011194427 [0,2,0,0,0,0|2,0,0]=4 14738 B14R0.152 CCCNC(=O)CCCSCC(C)CC 62a_100000748023_100011194427 [0,2,0,0,0,0|2,0,0]=4 14739 B14R0.152 CCCNC(=O)CCCSCC(C)CC 62a_100011194427_100000748023 [0,2,0,0,0,0|2,0,0]=4 14740 B14R0.152 CCCNC(=O)CCCSCC(O)CC 62a_100011194427_100011218378 [0,2,0,0,0,0|2,0,0]=4 14741 B14R0.152 CCCNC(=O)CCCSCC(O)CC 62a_100011218378_100011194427 [0,2,0,0,0,0|2,0,0]=4 14742 B14R0.152 CCCNC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100011194427 [0,2,0,0,0,0|2,0,0]=4 14743 B14R0.152 CCCNC(=O)CCCSC[C@@H](C)CC 62a_100011194427_100009816398 [0,2,0,0,0,0|2,0,0]=4 14744 B14R0.152 CCCNC(=O)COCCCC(C)CC 7a_100011216074_100000183358 [0,2,0,0,0,0|2,0,0]=4 14745 B14R0.152 CCCOC(=O)COCCCC(C)CC 7a_100011216074_200011215008 [0,2,0,0,0,0|1,0,0]=3 14746 B14R0.152 CCCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_200011215008 [0,2,0,0,0,0|2,0,0]=4 14747 B14R0.152 CCCOC(=O)CSCCCN(C)CC 62a_200011215008_100015186262 [0,2,0,0,0,0|2,0,0]=4 14748 B14R0.152 CCCOC(=O)OCOCCC(C)CC 7a_100011215188_200000139673 [0,2,0,0,0,0|2,0,0]=4 14749 B14R0.152 CCOCC(=O)CCCCCC(=O)OC 1458a_100000211967_100009816466 [0,2,0,0,0,0|1,0,1]=4 14750 B14R0.153 C#CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000753159 [0,2,0,0,0,0|1,0,1]=4 14751 B14R0.153 C#CCNC(=O)CCCCCCC(C)C 11a_100000212058_100000040743 [0,2,0,0,0,0|1,0,1]=4 14752 B14R0.153 C#CCNC(=O)CCCCCCC(C)C 1626a_100000212058_100000040743 [0,2,0,0,0,0|1,0,1]=4 14753 B14R0.153 C#CCNC(=O)CCCCCCC(C)C 240690a_100000212058_100000040743 [0,2,0,0,0,0|1,0,1]=4 14754 B14R0.153 C#CCNC(=O)CCCCCCC(C)C 527a_100000212058_100000040743 [0,2,0,0,0,0|1,0,1]=4 14755 B14R0.153 C/C=C/CC(=O)CCCCCCC(C)C 1458a_100000040743_100102629194 [0,2,0,0,0,0|1,0,1]=4 14756 B14R0.153 C=C(COCCCCC(C)C)OCOC 34a_100011214890_100000042856 [0,2,0,0,0,0|2,0,0]=4 14757 B14R0.153 C=C(CSCCCCC(C)C)OCOC 62a_100000042856_100011216152 [0,2,0,0,0,0|2,0,0]=4 14758 B14R0.153 C=C(CSCCCCC(C)C)OCOC 62a_100011216152_100000042856 [0,2,0,0,0,0|2,0,0]=4 14759 B14R0.153 C=CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000754431 [0,2,0,0,0,0|1,0,1]=4 14760 B14R0.153 C=CCNC(=O)CCCCCCC(C)C 1626a_100020586998_100000040743 [0,2,0,0,0,0|1,0,1]=4 14761 B14R0.153 C=CCNC(=O)CCCCCCC(C)C 240690a_100020586998_100000040743 [0,2,0,0,0,0|1,0,1]=4 14762 B14R0.153 C=CCNC(=O)CCCCCCC(C)C 527a_100020586998_100000040743 [0,2,0,0,0,0|1,0,1]=4 14763 B14R0.153 C=CCOC(=O)COCCCCC(C)C 34a_100011214890_100000033060 [0,2,0,0,0,0|1,0,1]=4 14764 B14R0.153 C=CCOC(=O)COCCCCC(C)C 7a_100011214890_100000033060 [0,2,0,0,0,0|1,0,1]=4 14765 B14R0.153 C=CCOC(=O)CSCCCCC(C)C 62a_100000033060_100011216152 [0,2,0,0,0,0|1,0,1]=4 14766 B14R0.153 C=CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000033060 [0,2,0,0,0,0|1,0,1]=4 14767 B14R0.153 CC#CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000748600 [0,2,0,0,0,0|1,0,1]=4 14768 B14R0.153 CC(C)CCCCCCC(=O)CCC#N 1458a_100000040743_100011215226 [0,2,0,0,0,0|1,0,1]=4 14769 B14R0.153 CC(C)CCCCCCC(=O)CCCF 1458a_100000040743_100011934791 [0,2,0,0,0,0|1,0,0]=3 14770 B14R0.153 CC(C)CCCCCCC(=O)CCCO 1458a_100000040743_100011215043 [0,2,0,0,0,0|1,0,0]=3 14771 B14R0.153 CC(C)CCCCCCC(=O)NCC#N 1626a_100000734998_100000040743 [0,2,0,0,0,0|1,0,1]=4 14772 B14R0.153 CC(C)CCCCCCC(=O)NCC#N 527a_100000734998_100000040743 [0,2,0,0,0,0|1,0,1]=4 14773 B14R0.153 CC(C)CCCCCCC(=O)NCCF 11a_100000724931_100000040743 [0,2,0,0,0,0|1,0,0]=3 14774 B14R0.153 CC(C)CCCCCCC(=O)NCCF 1626a_100000724931_100000040743 [0,2,0,0,0,0|1,0,0]=3 14775 B14R0.153 CC(C)CCCCCCC(=O)NCCF 240690a_100000724931_100000040743 [0,2,0,0,0,0|1,0,0]=3 14776 B14R0.153 CC(C)CCCCCCC(=O)NCCF 527a_100000724931_100000040743 [0,2,0,0,0,0|1,0,0]=3 14777 B14R0.153 CC(C)CCCCCCC(=O)NCCO 240690a_100000210304_100000040743 [0,2,0,0,0,0|1,0,0]=3 14778 B14R0.153 CC(C)CCCCCCC(=O)NCCO 527a_100000210304_100000040743 [0,2,0,0,0,0|1,0,0]=3 14779 B14R0.153 CC(C)CCCCCNC(=O)NCCF 2708a_100011290863_100000724931 [0,2,0,0,0,0|2,0,0]=4 14780 B14R0.153 CC(C)CCCCCNC(=O)NCCF 273464a_100000724931_100011290863 [0,2,0,0,0,0|2,0,0]=4 14781 B14R0.153 CC(C)CCCCCNC(=O)NCCF 273464a_100011290863_100000724931 [0,2,0,0,0,0|2,0,0]=4 14782 B14R0.153 CC(C)CCCCCNC(=O)NCCF 512a_100011290863_100000724931 [0,2,0,0,0,0|2,0,0]=4 14783 B14R0.153 CC(C)CCCCCNC(=O)NCCO 2708a_100011290863_100000210304 [0,2,0,0,0,0|2,0,0]=4 14784 B14R0.153 CC(C)CCCCCNC(=O)NCCO 273464a_100000210304_100011290863 [0,2,0,0,0,0|2,0,0]=4 14785 B14R0.153 CC(C)CCCCCNC(=O)NCCO 273464a_100011290863_100000210304 [0,2,0,0,0,0|2,0,0]=4 14786 B14R0.153 CC(C)CCCCCNC(=O)NCCO 512a_100011290863_100000210304 [0,2,0,0,0,0|2,0,0]=4 14787 B14R0.153 CC(C)CCCCNCC(=O)NCCF 2230a_100000725713_100011216152 [0,2,0,0,0,0|2,0,0]=4 14788 B14R0.153 CC=CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000070051 [0,2,0,0,0,0|1,0,1]=4 14789 B14R0.153 CCC=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000212282 [0,2,0,0,0,0|2,0,0]=4 14790 B14R0.153 CCC=CC(=O)NCCCCCC(C)C 240690a_100011290863_100000212282 [0,2,0,0,0,0|2,0,0]=4 14791 B14R0.153 CCCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210211 [0,2,0,0,0,0|1,0,0]=3 14792 B14R0.153 CCCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210183 [0,2,0,0,0,0|2,0,0]=4 14793 B14R0.153 CCCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210183 [0,2,0,0,0,0|2,0,0]=4 14794 B14R0.153 CCCCC(=O)NCCCCCC(C)C 527a_100011290863_100000210183 [0,2,0,0,0,0|2,0,0]=4 14795 B14R0.153 CCCNC(=O)CCCCCCC(C)C 11a_100020643023_100000040743 [0,2,0,0,0,0|1,0,0]=3 14796 B14R0.153 CCCNC(=O)CCCCCCC(C)C 1626a_100020643023_100000040743 [0,2,0,0,0,0|1,0,0]=3 14797 B14R0.153 CCCNC(=O)CCCCCCC(C)C 240690a_100020643023_100000040743 [0,2,0,0,0,0|1,0,0]=3 14798 B14R0.153 CCCNC(=O)CCCCCCC(C)C 527a_100020643023_100000040743 [0,2,0,0,0,0|1,0,0]=3 14799 B14R0.153 CCCNC(=O)CCCNCCC(C)O 2230a_200000755665_100011194427 [0,2,0,0,0,0|2,0,0]=4 14800 B14R0.153 CCCNC(=O)CCCOCCC(C)C 7a_100000210254_100011194427 [0,2,0,0,0,0|2,0,0]=4 14801 B14R0.153 CCCNC(=O)CCCSCCC(C)C 62a_100000210312_100011194427 [0,2,0,0,0,0|2,0,0]=4 14802 B14R0.153 CCCNC(=O)CCCSCCC(C)C 62a_100011194427_100000210312 [0,2,0,0,0,0|2,0,0]=4 14803 B14R0.153 CCCNC(=O)CCCSCCC(C)O 62a_100011194427_100012276601 [0,2,0,0,0,0|2,0,0]=4 14804 B14R0.153 CCCNC(=O)CCCSCCC(C)O 62a_100012276601_100011194427 [0,2,0,0,0,0|2,0,0]=4 14805 B14R0.153 CCCNC(=O)CNCCCCC(C)C 2230a_100000174927_100011216152 [0,2,0,0,0,0|2,0,0]=4 14806 B14R0.153 CCCNC(=O)COCCCCC(C)C 34a_100011214890_100000183358 [0,2,0,0,0,0|2,0,0]=4 14807 B14R0.153 CCCNC(=O)COCCCCC(C)C 7a_100011214890_100000183358 [0,2,0,0,0,0|2,0,0]=4 14808 B14R0.153 CCCNC(=O)CSCCCCC(C)C 62a_100000183358_100011216152 [0,2,0,0,0,0|2,0,0]=4 14809 B14R0.153 CCCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183358 [0,2,0,0,0,0|2,0,0]=4 14810 B14R0.153 CCCNC(=O)NCCCCCC(C)C 2708a_100011290863_100020643023 [0,2,0,0,0,0|2,0,0]=4 14811 B14R0.153 CCCNC(=O)NCCCCCC(C)C 2708a_100020643023_100011290863 [0,2,0,0,0,0|2,0,0]=4 14812 B14R0.153 CCCNC(=O)NCCCCCC(C)C 273464a_100011290863_100020643023 [0,2,0,0,0,0|2,0,0]=4 14813 B14R0.153 CCCNC(=O)NCCCCCC(C)C 273464a_100020643023_100011290863 [0,2,0,0,0,0|2,0,0]=4 14814 B14R0.153 CCCNC(=O)NCCCCCC(C)C 512a_100011290863_100020643023 [0,2,0,0,0,0|2,0,0]=4 14815 B14R0.153 CCCNC(=O)NCCCCCC(C)C 512a_100020643023_100011290863 [0,2,0,0,0,0|2,0,0]=4 14816 B14R0.153 CCCOC(=O)CNCCCOC(C)C 2230a_100000737246_200011215008 [0,2,0,0,0,0|2,0,0]=4 14817 B14R0.153 CCCOC(=O)CNCCCOC(C)C 34a_100000737246_200011215008 [0,2,0,0,0,0|2,0,0]=4 14818 B14R0.153 CCCOC(=O)COCCCCC(C)C 34a_100011214890_200011215008 [0,2,0,0,0,0|1,0,0]=3 14819 B14R0.153 CCCOC(=O)COCCCCC(C)C 7a_100011214890_200011215008 [0,2,0,0,0,0|1,0,0]=3 14820 B14R0.153 CCCOC(=O)COCCCNC(C)C 34a_100000182298_200011215008 [0,2,0,0,0,0|2,0,0]=4 14821 B14R0.153 CCCOC(=O)COCCNCC(C)C 34a_100015185251_200011215008 [0,2,0,0,0,0|2,0,0]=4 14822 B14R0.153 CCCOC(=O)COCCOCC(C)C 34a_100000703358_200011215008 [0,2,0,0,0,0|2,0,0]=4 14823 B14R0.153 CCCOC(=O)COCCOCC(C)C 7a_100000703358_200011215008 [0,2,0,0,0,0|2,0,0]=4 14824 B14R0.153 CCCOC(=O)COCCSCC(C)C 34a_200000230437_200011215008 [0,2,0,0,0,0|2,0,0]=4 14825 B14R0.153 CCCOC(=O)COCCSCC(C)C 7a_200000230437_200011215008 [0,2,0,0,0,0|2,0,0]=4 14826 B14R0.153 CCCOC(=O)CSCCCCC(=O)C 62a_100000735457_200011215008 [0,2,0,0,0,0|1,0,1]=4 14827 B14R0.153 CCCOC(=O)CSCCCCC(=O)C 62a_200011215008_100000735457 [0,2,0,0,0,0|1,0,1]=4 14828 B14R0.153 CCCOC(=O)CSCCCCC(C)C 62a_100011216152_200011215008 [0,2,0,0,0,0|1,0,0]=3 14829 B14R0.153 CCCOC(=O)CSCCCCC(C)C 62a_200011215008_100011216152 [0,2,0,0,0,0|1,0,0]=3 14830 B14R0.153 CCCOC(=O)CSCCCCN(C)C 62a_200011215008_100000690147 [0,2,0,0,0,0|2,0,0]=4 14831 B14R0.153 CCCOC(=O)OCNCCCC(C)C 34a_200000737386_200000139673 [0,2,0,0,0,0|2,0,0]=4 14832 B14R0.153 CCCOC(=O)OCOCCCC(C)C 34a_100000210774_200000139673 [0,2,0,0,0,0|2,0,0]=4 14833 B14R0.153 CCCOC(=O)OCOCCCC(C)C 7a_100000210774_200000139673 [0,2,0,0,0,0|2,0,0]=4 14834 B14R0.153 CCCOC(=O)OCSCCCC(C)C 62a_100011214892_200000139673 [0,2,0,0,0,0|2,0,0]=4 14835 B14R0.153 CCCOC(=O)OCSCCCC(C)O 62a_200000718107_200000139673 [0,2,0,0,0,0|2,0,0]=4 14836 B14R0.153 CCNNC(=O)CCCCCCC(C)C 22a_100000756455_100000040743 [0,2,0,0,0,0|1,0,0]=3 14837 B14R0.153 CCNNC(=O)NCCCCCC(C)C 273464a_100011290863_100000756455 [0,2,0,0,0,0|2,0,0]=4 14838 B14R0.153 CCNNC(=O)NCCCCCC(C)C 512a_100000756455_100011290863 [0,2,0,0,0,0|2,0,0]=4 14839 B14R0.153 CCNNC(=O)NCCCCCC(C)C 512a_100011290863_100000756455 [0,2,0,0,0,0|2,0,0]=4 14840 B14R0.153 CCOCC(=O)CCCCCCB(O)O 1458a_100000211967_100009817187 [0,2,0,0,0,0|2,0,0]=4 14841 B14R0.153 CCOCC(=O)CCCCCOC(=O)C 1458a_100000211967_100000033007 [0,2,0,0,0,0|1,0,1]=4 14842 B14R0.153 CCOCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211967 [0,2,0,0,0,0|1,0,0]=3 14843 B14R0.153 CCOCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211967 [0,2,0,0,0,0|1,0,0]=3 14844 B14R0.153 CCOCC(=O)NCCCCCC(C)C 527a_100011290863_100000211967 [0,2,0,0,0,0|1,0,0]=3 14845 B14R0.153 CCOCC(=O)NCCCCCN(C)C 240690a_100020635752_100000211967 [0,2,0,0,0,0|2,0,0]=4 14846 B14R0.153 CCOCC(=O)NCCCOCC(C)C 11a_100000205972_100000211967 [0,2,0,0,0,0|2,0,0]=4 14847 B14R0.153 CCOCC(=O)NCCCOCC(C)C 1626a_100000205972_100000211967 [0,2,0,0,0,0|2,0,0]=4 14848 B14R0.153 CCOCC(=O)NCCCOCC(C)C 240690a_100000205972_100000211967 [0,2,0,0,0,0|2,0,0]=4 14849 B14R0.153 CCOCC(=O)NCCCOCC(C)C 527a_100000205972_100000211967 [0,2,0,0,0,0|2,0,0]=4 14850 B14R0.153 CCSCC(=O)NCCCCCC(C)C 1626a_100011290863_100000230394 [0,2,0,0,0,0|1,1,0]=4 14851 B14R0.153 CCSCC(=O)NCCCCCC(C)C 240690a_100011290863_100000230394 [0,2,0,0,0,0|1,1,0]=4 14852 B14R0.153 CCSCC(=O)NCCCCCC(C)C 527a_100011290863_100000230394 [0,2,0,0,0,0|1,1,0]=4 14853 B14R0.153 COCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000233755 [0,2,0,0,0,0|1,0,0]=3 14854 B14R0.153 COCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000749529 [0,2,0,0,0,0|2,0,0]=4 14855 B14R0.153 COCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000749529 [0,2,0,0,0,0|2,0,0]=4 14856 B14R0.153 COCCC(=O)NCCCCCC(C)C 527a_100011290863_100000749529 [0,2,0,0,0,0|2,0,0]=4 14857 B14R0.153 CSCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000751147 [0,2,0,0,0,0|1,0,0]=3 14858 B14R0.153 CSCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000174002 [0,2,0,0,0,0|2,0,0]=4 14859 B14R0.153 CSCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000174002 [0,2,0,0,0,0|2,0,0]=4 14860 B14R0.153 CSCCC(=O)NCCCCCC(C)C 527a_100011290863_100000174002 [0,2,0,0,0,0|2,0,0]=4 14861 B14R0.179 C#CCCCC(=O)CCCCCCCC 1458a_100000210188_100000731252 [0,2,0,0,0,0|1,0,0]=3 14862 B14R0.179 C#CCCCC(=O)CCCCCCCC 1458a_100000690238_100000210759 [0,2,0,0,0,0|1,0,0]=3 14863 B14R0.179 C#CCCCC(=O)CCCCCCCO 1458a_100000690238_100000760002 [0,2,0,0,0,0|2,0,0]=4 14864 B14R0.179 C#CCCCC(=O)CCCCCCCO 1458a_100011219782_100000731252 [0,2,0,0,0,0|2,0,0]=4 14865 B14R0.179 C#CCCCC(=O)CCCCCCOC 1458a_100000690238_100011998445 [0,2,0,0,0,0|2,0,0]=4 14866 B14R0.179 C#CCCCC(=O)NCCCCCCC 11a_100000229938_100000690238 [0,2,0,0,0,0|2,0,0]=4 14867 B14R0.179 C#CCCCC(=O)NCCCCCCC 1626a_100000229938_100000690238 [0,2,0,0,0,0|2,0,0]=4 14868 B14R0.179 C#CCCCC(=O)NCCCCCCC 240690a_100000229938_100000690238 [0,2,0,0,0,0|2,0,0]=4 14869 B14R0.179 C#CCCCC(=O)NCCCCCCC 527a_100000229938_100000690238 [0,2,0,0,0,0|2,0,0]=4 14870 B14R0.179 C#CCCCCCCC(=O)C=COCC 1458a_100016266692_100012276617 [0,2,0,0,0,0|0,0,2]=4 14871 B14R0.179 C#CCCCCCCC(=O)CCOCC 1458a_100000034748_100011215890 [0,2,0,0,0,0|0,0,2]=4 14872 B14R0.179 C#CCCCCCCC(=O)CCOCC 1458a_100000749530_100012276617 [0,2,0,0,0,0|0,0,2]=4 14873 B14R0.179 C#CCCCCCCC(=O)COCCC 1458a_100000745993_100012276617 [0,2,0,0,0,0|0,0,2]=4 14874 B14R0.179 C#CCCCCCCC(=O)COCCO 1458a_100000708028_100012276617 [0,2,0,0,0,0|0,0,2]=4 14875 B14R0.179 C#CCCNC(=O)CCCCCCCC 11a_100000755551_100000210188 [0,2,0,0,0,0|1,0,0]=3 14876 B14R0.179 C#CCCNC(=O)CCCCCCCC 1626a_100000755551_100000210188 [0,2,0,0,0,0|1,0,0]=3 14877 B14R0.179 C#CCCNC(=O)CCCCCCCC 240690a_100000755551_100000210188 [0,2,0,0,0,0|1,0,0]=3 14878 B14R0.179 C#CCCNC(=O)CCCCCCCC 527a_100000755551_100000210188 [0,2,0,0,0,0|1,0,0]=3 14879 B14R0.179 C#CCCNC(=O)CCCCCCCO 240690a_100000755551_100011219782 [0,2,0,0,0,0|2,0,0]=4 14880 B14R0.179 C#CCCNC(=O)NCCCCCCC 2708a_100000229938_100000755551 [0,2,0,0,0,0|2,0,0]=4 14881 B14R0.179 C#CCCNC(=O)NCCCCCCC 2708a_100000755551_100000229938 [0,2,0,0,0,0|2,0,0]=4 14882 B14R0.179 C#CCCNC(=O)NCCCCCCC 273464a_100000229938_100000755551 [0,2,0,0,0,0|2,0,0]=4 14883 B14R0.179 C#CCCNC(=O)NCCCCCCC 273464a_100000755551_100000229938 [0,2,0,0,0,0|2,0,0]=4 14884 B14R0.179 C#CCCNC(=O)NCCCCCCC 512a_100000229938_100000755551 [0,2,0,0,0,0|2,0,0]=4 14885 B14R0.179 C#CCCNC(=O)NCCCCCCC 512a_100000755551_100000229938 [0,2,0,0,0,0|2,0,0]=4 14886 B14R0.179 C#CCCOC(C)CCCCCCCC 34a_100000210740_100000688953 [0,2,0,0,0,0|1,0,1]=4 14887 B14R0.179 C#CCCOC(C)CCCCCCCC 7a_100000210740_100000688953 [0,2,0,0,0,0|1,0,1]=4 14888 B14R0.179 C#CCOCC(=O)CCCCCCCC 1458a_100011251226_100000210759 [0,2,0,0,0,0|0,0,1]=3 14889 B14R0.179 C#CCOCC(=O)CCCCCCCO 1458a_100011251226_100000760002 [0,2,0,0,0,0|1,0,1]=4 14890 B14R0.179 C#CCOCC(=O)CCCCCCOC 1458a_100011251226_100011998445 [0,2,0,0,0,0|1,0,1]=4 14891 B14R0.179 C#CCOCC(=O)NCCCCCCC 11a_100000229938_100011251226 [0,2,0,0,0,0|1,0,1]=4 14892 B14R0.179 C#CCOCC(=O)NCCCCCCC 1626a_100000229938_100011251226 [0,2,0,0,0,0|1,0,1]=4 14893 B14R0.179 C#CCOCC(=O)NCCCCCCC 527a_100000229938_100011251226 [0,2,0,0,0,0|1,0,1]=4 14894 B14R0.179 C/C=C/C=CC(=O)CCCCCCCC 1458a_100000185730_100000210759 [0,2,0,0,0,0|1,0,1]=4 14895 B14R0.179 C/C=C/COC(C)CCCCCCCC 34a_100000210740_100102629194 [0,2,0,0,0,0|1,0,1]=4 14896 B14R0.179 C/C=C/COC(C)CCCCCCCC 7a_100000210740_100102629194 [0,2,0,0,0,0|1,0,1]=4 14897 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000210188_100000757094 [0,2,0,0,0,0|1,0,0]=3 14898 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000766728_100000210759 [0,2,0,0,0,0|1,0,0]=3 14899 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100000766728_100000760002 [0,2,0,0,0,0|2,0,0]=4 14900 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100011219782_100000757094 [0,2,0,0,0,0|2,0,0]=4 14901 B14R0.179 C=CCCCC(=O)CCCCCCOC 1458a_100000766728_100011998445 [0,2,0,0,0,0|2,0,0]=4 14902 B14R0.179 C=CCCCC(=O)NCCCCCCC 11a_100000229938_100000766728 [0,2,0,0,0,0|2,0,0]=4 14903 B14R0.179 C=CCCCC(=O)NCCCCCCC 1626a_100000229938_100000766728 [0,2,0,0,0,0|2,0,0]=4 14904 B14R0.179 C=CCCCC(=O)NCCCCCCC 240690a_100000229938_100000766728 [0,2,0,0,0,0|2,0,0]=4 14905 B14R0.179 C=CCCCC(=O)NCCCCCCC 527a_100000229938_100000766728 [0,2,0,0,0,0|2,0,0]=4 14906 B14R0.179 C=CCCCCCCC(=O)C=COCC 1458a_100016266692_100011215473 [0,2,0,0,0,0|0,0,2]=4 14907 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100000749530_100011215473 [0,2,0,0,0,0|0,0,2]=4 14908 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100011809334_100011215890 [0,2,0,0,0,0|0,0,2]=4 14909 B14R0.179 C=CCCCCCCC(=O)COCCC 1458a_100000745993_100011215473 [0,2,0,0,0,0|0,0,2]=4 14910 B14R0.179 C=CCCCCCCC(=O)COCCO 1458a_100000708028_100011215473 [0,2,0,0,0,0|0,0,2]=4 14911 B14R0.179 C=CCCNC(=O)CCCCCCCC 11a_100015191253_100000210188 [0,2,0,0,0,0|1,0,0]=3 14912 B14R0.179 C=CCCNC(=O)CCCCCCCC 1626a_100015191253_100000210188 [0,2,0,0,0,0|1,0,0]=3 14913 B14R0.179 C=CCCNC(=O)CCCCCCCC 240690a_100015191253_100000210188 [0,2,0,0,0,0|1,0,0]=3 14914 B14R0.179 C=CCCNC(=O)CCCCCCCC 527a_100015191253_100000210188 [0,2,0,0,0,0|1,0,0]=3 14915 B14R0.179 C=CCCNC(=O)CCCCCCCO 240690a_100015191253_100011219782 [0,2,0,0,0,0|2,0,0]=4 14916 B14R0.179 C=CCCNC(=O)NCCCCCCC 2708a_100000229938_100015191253 [0,2,0,0,0,0|2,0,0]=4 14917 B14R0.179 C=CCCNC(=O)NCCCCCCC 2708a_100015191253_100000229938 [0,2,0,0,0,0|2,0,0]=4 14918 B14R0.179 C=CCCNC(=O)NCCCCCCC 273464a_100000229938_100015191253 [0,2,0,0,0,0|2,0,0]=4 14919 B14R0.179 C=CCCNC(=O)NCCCCCCC 273464a_100015191253_100000229938 [0,2,0,0,0,0|2,0,0]=4 14920 B14R0.179 C=CCCNC(=O)NCCCCCCC 512a_100000229938_100015191253 [0,2,0,0,0,0|2,0,0]=4 14921 B14R0.179 C=CCCNC(=O)NCCCCCCC 512a_100015191253_100000229938 [0,2,0,0,0,0|2,0,0]=4 14922 B14R0.179 C=CCCOC(C)CCCCCCCC 34a_100000210740_100000754431 [0,2,0,0,0,0|1,0,1]=4 14923 B14R0.179 C=CCCOC(C)CCCCCCCC 7a_100000210740_100000754431 [0,2,0,0,0,0|1,0,1]=4 14924 B14R0.179 C=CCNNC(=O)CCCCCCCC 22a_100020588587_100000210188 [0,2,0,0,0,0|1,0,1]=4 14925 B14R0.179 C=CCSCC(=O)CCCCCCCC 1458a_100000230395_100000210759 [0,2,0,0,0,0|0,1,1]=4 14926 B14R0.179 C=COCCC(=O)CCCCCCCC 1458a_100000210188_100000039644 [0,2,0,0,0,0|0,0,2]=4 14927 B14R0.179 CC#CCNC(=O)CCCCCCCC 11a_100000685387_100000210188 [0,2,0,0,0,0|1,0,0]=3 14928 B14R0.179 CC#CCNC(=O)CCCCCCCC 1626a_100000685387_100000210188 [0,2,0,0,0,0|1,0,0]=3 14929 B14R0.179 CC#CCNC(=O)CCCCCCCC 527a_100000685387_100000210188 [0,2,0,0,0,0|1,0,0]=3 14930 B14R0.179 CC#CCNC(=O)NCCCCCCC 2708a_100000229938_100000685387 [0,2,0,0,0,0|2,0,0]=4 14931 B14R0.179 CC#CCNC(=O)NCCCCCCC 273464a_100000229938_100000685387 [0,2,0,0,0,0|2,0,0]=4 14932 B14R0.179 CC#CCNC(=O)NCCCCCCC 273464a_100000685387_100000229938 [0,2,0,0,0,0|2,0,0]=4 14933 B14R0.179 CC#CCNC(=O)NCCCCCCC 512a_100000229938_100000685387 [0,2,0,0,0,0|2,0,0]=4 14934 B14R0.179 CC#CCNC(=O)NCCCCCCC 512a_100000685387_100000229938 [0,2,0,0,0,0|2,0,0]=4 14935 B14R0.179 CC#CCOC(C)CCCCCCCC 34a_100000210740_100000748600 [0,2,0,0,0,0|1,0,1]=4 14936 B14R0.179 CC#CCOC(C)CCCCCCCC 7a_100000210740_100000748600 [0,2,0,0,0,0|1,0,1]=4 14937 B14R0.179 CC/C=C/CC(=O)CCCCCCCC 1458a_100016274230_100000210759 [0,2,0,0,0,0|1,0,0]=3 14938 B14R0.179 CC/C=C/CC(=O)CCCCCCCO 1458a_100016274230_100000760002 [0,2,0,0,0,0|2,0,0]=4 14939 B14R0.179 CC/C=C/CC(=O)CCCCCCOC 1458a_100016274230_100011998445 [0,2,0,0,0,0|2,0,0]=4 14940 B14R0.179 CC/C=C/CC(=O)NCCCCCCC 11a_100000229938_100016274230 [0,2,0,0,0,0|2,0,0]=4 14941 B14R0.179 CC/C=C/CC(=O)NCCCCCCC 1626a_100000229938_100016274230 [0,2,0,0,0,0|2,0,0]=4 14942 B14R0.179 CC/C=C/CC(=O)NCCCCCCC 240690a_100000229938_100016274230 [0,2,0,0,0,0|2,0,0]=4 14943 B14R0.179 CC/C=C/CC(=O)NCCCCCCC 527a_100000229938_100016274230 [0,2,0,0,0,0|2,0,0]=4 14944 B14R0.179 CC/C=C\CC(=O)CCCCCCCC 1458a_100000210188_100103147603 [0,2,0,0,0,0|1,0,0]=3 14945 B14R0.179 CC/C=C\CC(=O)CCCCCCCO 1458a_100011219782_100103147603 [0,2,0,0,0,0|2,0,0]=4 14946 B14R0.179 CC=CCOC(C)CCCCCCCC 34a_100000210740_100000070051 [0,2,0,0,0,0|1,0,1]=4 14947 B14R0.179 CC=CCOC(C)CCCCCCCC 7a_100000210740_100000070051 [0,2,0,0,0,0|1,0,1]=4 14948 B14R0.179 CCC#CCC(=O)CCCCCCCC 1458a_100000210188_100009813939 [0,2,0,0,0,0|1,0,0]=3 14949 B14R0.179 CCC#CCC(=O)CCCCCCCO 1458a_100011219782_100009813939 [0,2,0,0,0,0|2,0,0]=4 14950 B14R0.179 CCCC#CC(=O)CCCCCCCC 1458a_200011218047_100000210759 [0,2,0,0,0,0|1,0,0]=3 14951 B14R0.179 CCCC#CC(=O)CCCCCCCO 1458a_200011218047_100000760002 [0,2,0,0,0,0|2,0,0]=4 14952 B14R0.179 CCCC#CC(=O)CCCCCCOC 1458a_200011218047_100011998445 [0,2,0,0,0,0|2,0,0]=4 14953 B14R0.179 CCCC#CC(=O)NCCCCCCC 240690a_100000229938_200011218047 [0,2,0,0,0,0|2,0,0]=4 14954 B14R0.179 CCCC=CC(=O)CCCCCCCC 1458a_100000212230_100000210759 [0,2,0,0,0,0|1,0,0]=3 14955 B14R0.179 CCCC=CC(=O)CCCCCCCO 1458a_100000212230_100000760002 [0,2,0,0,0,0|2,0,0]=4 14956 B14R0.179 CCCC=CC(=O)CCCCCCOC 1458a_100000212230_100011998445 [0,2,0,0,0,0|2,0,0]=4 14957 B14R0.179 CCCC=CC(=O)NCCCCCCC 11a_100000229938_100000212230 [0,2,0,0,0,0|2,0,0]=4 14958 B14R0.179 CCCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212230 [0,2,0,0,0,0|2,0,0]=4 14959 B14R0.179 CCCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212230 [0,2,0,0,0,0|2,0,0]=4 14960 B14R0.179 CCCCC/C=C/CC(=O)CCOCC 1458a_100020675968_100011215890 [0,2,0,0,0,0|0,0,2]=4 14961 B14R0.179 CCCCCC#CCC(=O)C=COCC 1458a_100016266692_100009816472 [0,2,0,0,0,0|0,0,2]=4 14962 B14R0.179 CCCCCC#CCC(=O)CCOCC 1458a_100000749530_100009816472 [0,2,0,0,0,0|0,0,2]=4 14963 B14R0.179 CCCCCC#CCC(=O)COCCC 1458a_100000745993_100009816472 [0,2,0,0,0,0|0,0,2]=4 14964 B14R0.179 CCCCCC#CCC(=O)COCCO 1458a_100000708028_100009816472 [0,2,0,0,0,0|0,0,2]=4 14965 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100000212188_100000760002 [0,2,0,0,0,0|2,0,0]=4 14966 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210326 [0,2,0,0,0,0|2,0,0]=4 14967 B14R0.179 CCCCCC(=O)CCCCCCOC 1458a_100000212188_100011998445 [0,2,0,0,0,0|2,0,0]=4 14968 B14R0.179 CCCCCCC=CC(=O)CCOCC 1458a_200015324643_100011215890 [0,2,0,0,0,0|0,0,2]=4 14969 B14R0.179 CCCCCCCCC(=NNCCC)C 4a_100000740057_100011216694 [0,2,0,0,0,0|2,0,0]=4 14970 B14R0.179 CCCCCCCCC(=NNCCO)C 4a_100000210001_100011216694 [0,2,0,0,0,0|2,0,0]=4 14971 B14R0.179 CCCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210759 [0,2,0,0,0,0|1,0,0]=3 14972 B14R0.179 CCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210759 [0,2,0,0,0,0|0,0,0]=2 14973 B14R0.179 CCCCCCCCC(=O)CC#CCO 1458a_100000210188_200000047223 [0,2,0,0,0,0|1,0,1]=4 14974 B14R0.179 CCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210759 [0,2,0,0,0,0|1,0,0]=3 14975 B14R0.179 CCCCCCCCC(=O)CCCC#N 1458a_100000210188_100000211468 [0,2,0,0,0,0|1,0,0]=3 14976 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000210188_100000210326 [0,2,0,0,0,0|1,0,0]=3 14977 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210759 [0,2,0,0,0,0|1,0,0]=3 14978 B14R0.179 CCCCCCCCC(=O)CCCCF 1458a_100000210188_100000729493 [0,2,0,0,0,0|1,0,0]=3 14979 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000210188_100000210776 [0,2,0,0,0,0|1,0,0]=3 14980 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210759 [0,2,0,0,0,0|1,0,0]=3 14981 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000210188_100000740836 [0,2,0,0,0,0|1,0,0]=3 14982 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210759 [0,2,0,0,0,0|1,0,0]=3 14983 B14R0.179 CCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210759 [0,2,0,0,0,0|1,0,0]=3 14984 B14R0.179 CCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210759 [0,2,0,0,0,0|2,0,0]=4 14985 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000210188_100011215890 [0,2,0,0,0,0|0,0,0]=2 14986 B14R0.179 CCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210759 [0,2,0,0,0,0|0,0,0]=2 14987 B14R0.179 CCCCCCCCC(=O)CCSCC 1458a_100000210188_100000757381 [0,2,0,0,0,0|0,1,0]=3 14988 B14R0.179 CCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210759 [0,2,0,0,0,0|0,1,0]=3 14989 B14R0.179 CCCCCCCCC(=O)COCCC 1458a_100000745993_100000210759 [0,2,0,0,0,0|0,0,0]=2 14990 B14R0.179 CCCCCCCCC(=O)COCCO 1458a_100000708028_100000210759 [0,2,0,0,0,0|0,0,0]=2 14991 B14R0.179 CCCCCCCCC(=O)CSCC#N 1458a_100000150266_100000210759 [0,2,0,0,0,0|0,1,1]=4 14992 B14R0.179 CCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210759 [0,2,0,0,0,0|0,1,0]=3 14993 B14R0.179 CCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210188 [0,2,0,0,0,0|1,0,0]=3 14994 B14R0.179 CCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210188 [0,2,0,0,0,0|1,0,0]=3 14995 B14R0.179 CCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210188 [0,2,0,0,0,0|1,0,0]=3 14996 B14R0.179 CCCCCCCCC(=O)NCCC#N 527a_100000720768_100000210188 [0,2,0,0,0,0|1,0,0]=3 14997 B14R0.179 CCCCCCCCC(=O)NCCCC 11a_100000102301_100000210188 [0,2,0,0,0,0|1,0,0]=3 14998 B14R0.179 CCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210188 [0,2,0,0,0,0|1,0,0]=3 14999 B14R0.179 CCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210188 [0,2,0,0,0,0|1,0,0]=3 15000 B14R0.179 CCCCCCCCC(=O)NCCCC 527a_100000102301_100000210188 [0,2,0,0,0,0|1,0,0]=3 15001 B14R0.179 CCCCCCCCC(=O)NCCCF 11a_100015189416_100000210188 [0,2,0,0,0,0|1,0,0]=3 15002 B14R0.179 CCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210188 [0,2,0,0,0,0|1,0,0]=3 15003 B14R0.179 CCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210188 [0,2,0,0,0,0|1,0,0]=3 15004 B14R0.179 CCCCCCCCC(=O)NCCCF 527a_100015189416_100000210188 [0,2,0,0,0,0|1,0,0]=3 15005 B14R0.179 CCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210188 [0,2,0,0,0,0|1,0,0]=3 15006 B14R0.179 CCCCCCCCC(=O)NCCCO 527a_100000182051_100000210188 [0,2,0,0,0,0|1,0,0]=3 15007 B14R0.179 CCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210188 [0,2,0,0,0,0|1,0,0]=3 15008 B14R0.179 CCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210188 [0,2,0,0,0,0|1,0,0]=3 15009 B14R0.179 CCCCCCCCC(=O)NCCOC 527a_100000209980_100000210188 [0,2,0,0,0,0|1,0,0]=3 15010 B14R0.179 CCCCCCCCC(=O)NCCSC 11a_100020590264_100000210188 [0,2,0,0,0,0|1,0,0]=3 15011 B14R0.179 CCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210188 [0,2,0,0,0,0|1,0,0]=3 15012 B14R0.179 CCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210188 [0,2,0,0,0,0|1,0,0]=3 15013 B14R0.179 CCCCCCCCC(=O)NCCSC 527a_100020590264_100000210188 [0,2,0,0,0,0|1,0,0]=3 15014 B14R0.179 CCCCCCCCC(=O)NNCCC 22a_100000740057_100000210188 [0,2,0,0,0,0|1,0,0]=3 15015 B14R0.179 CCCCCCCCC(=O)NNCCO 22a_100000210001_100000210188 [0,2,0,0,0,0|1,0,0]=3 15016 B14R0.179 CCCCCCCCC(C)COCCC 34a_200012125181_100000210303 [0,2,0,0,0,0|1,0,1]=4 15017 B14R0.179 CCCCCCCCC(C)COCCC 7a_200012125181_100000210303 [0,2,0,0,0,0|1,0,1]=4 15018 B14R0.179 CCCCCCCCC(C)COCCF 34a_200012125181_100011217306 [0,2,0,0,0,0|1,0,1]=4 15019 B14R0.179 CCCCCCCCC(C)COCCF 7a_200012125181_100011217306 [0,2,0,0,0,0|1,0,1]=4 15020 B14R0.179 CCCCCCCCC(C)COCCO 34a_200012125181_100000211926 [0,2,0,0,0,0|1,0,1]=4 15021 B14R0.179 CCCCCCCCC(C)COCCO 7a_200012125181_100000211926 [0,2,0,0,0,0|1,0,1]=4 15022 B14R0.179 CCCCCCCCC(C)COCSC 34a_200012125181_100011218213 [0,2,0,0,0,0|1,0,1]=4 15023 B14R0.179 CCCCCCCCC(C)OCCC#N 7a_100000210740_100000184422 [0,2,0,0,0,0|1,0,1]=4 15024 B14R0.179 CCCCCCCCC(C)OCCCC 34a_100000210740_100000210210 [0,2,0,0,0,0|1,0,1]=4 15025 B14R0.179 CCCCCCCCC(C)OCCCC 7a_100000210740_100000210211 [0,2,0,0,0,0|1,0,1]=4 15026 B14R0.179 CCCCCCCCC(C)OCCCF 34a_100000210740_100011934791 [0,2,0,0,0,0|1,0,1]=4 15027 B14R0.179 CCCCCCCCC(C)OCCCF 7a_100000210740_100011934791 [0,2,0,0,0,0|1,0,1]=4 15028 B14R0.179 CCCCCCCCC(C)OCCCO 34a_100000210740_100000230001 [0,2,0,0,0,0|1,0,1]=4 15029 B14R0.179 CCCCCCCCC(C)OCCCO 7a_100000210740_100011215043 [0,2,0,0,0,0|1,0,1]=4 15030 B14R0.179 CCCCCCCCC(C)OCCOC 34a_100000210740_100011201679 [0,2,0,0,0,0|1,0,1]=4 15031 B14R0.179 CCCCCCCCC(C)OCCOC 7a_100000210740_100000233755 [0,2,0,0,0,0|1,0,1]=4 15032 B14R0.179 CCCCCCCCC(C)OCCSC 34a_100000210740_100000212216 [0,2,0,0,0,0|1,0,1]=4 15033 B14R0.179 CCCCCCCCC(C)OCCSC 7a_100000210740_100000212216 [0,2,0,0,0,0|1,0,1]=4 15034 B14R0.179 CCCCCCCCN(C)CCOCC 2230a_100000207567_100011215890 [0,2,0,0,0,0|2,0,0]=4 15035 B14R0.179 CCCCCCCCN(C)CCOCC 269982a_100000207567_100011215890 [0,2,0,0,0,0|2,0,0]=4 15036 B14R0.179 CCCCCCCNC(=O)C=CCOC 11a_100000229938_100016285016 [0,2,0,0,0,0|2,0,0]=4 15037 B14R0.179 CCCCCCCNC(=O)C=CCOC 1626a_100000229938_100016285016 [0,2,0,0,0,0|2,0,0]=4 15038 B14R0.179 CCCCCCCNC(=O)C=CCOC 240690a_100000229938_100016285016 [0,2,0,0,0,0|2,0,0]=4 15039 B14R0.179 CCCCCCCNC(=O)C=COCC 11a_100000229938_100016266692 [0,2,0,0,0,0|1,0,0]=3 15040 B14R0.179 CCCCCCCNC(=O)C=COCC 1626a_100000229938_100016266692 [0,2,0,0,0,0|1,0,0]=3 15041 B14R0.179 CCCCCCCNC(=O)C=COCC 240690a_100000229938_100016266692 [0,2,0,0,0,0|1,0,0]=3 15042 B14R0.179 CCCCCCCNC(=O)CCCC#N 11a_100000229938_100000075515 [0,2,0,0,0,0|2,0,0]=4 15043 B14R0.179 CCCCCCCNC(=O)CCCC#N 1626a_100000229938_100000075515 [0,2,0,0,0,0|2,0,0]=4 15044 B14R0.179 CCCCCCCNC(=O)CCCC#N 240690a_100000229938_100000075515 [0,2,0,0,0,0|2,0,0]=4 15045 B14R0.179 CCCCCCCNC(=O)CCCC#N 527a_100000229938_100000075515 [0,2,0,0,0,0|2,0,0]=4 15046 B14R0.179 CCCCCCCNC(=O)CCCCC 11a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 15047 B14R0.179 CCCCCCCNC(=O)CCCCC 1626a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 15048 B14R0.179 CCCCCCCNC(=O)CCCCC 240690a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 15049 B14R0.179 CCCCCCCNC(=O)CCCCC 527a_100000229938_100000212188 [0,2,0,0,0,0|2,0,0]=4 15050 B14R0.179 CCCCCCCNC(=O)CCCCO 1626a_100000229938_100000695505 [0,2,0,0,0,0|2,0,0]=4 15051 B14R0.179 CCCCCCCNC(=O)CCCOC 11a_100000229938_100000741012 [0,2,0,0,0,0|2,0,0]=4 15052 B14R0.179 CCCCCCCNC(=O)CCCOC 1626a_100000229938_100000741012 [0,2,0,0,0,0|2,0,0]=4 15053 B14R0.179 CCCCCCCNC(=O)CCCOC 240690a_100000229938_100000741012 [0,2,0,0,0,0|2,0,0]=4 15054 B14R0.179 CCCCCCCNC(=O)CCCOC 527a_100000229938_100000741012 [0,2,0,0,0,0|2,0,0]=4 15055 B14R0.179 CCCCCCCNC(=O)CCCSC 11a_100000229938_100000173376 [0,2,0,0,0,0|2,0,0]=4 15056 B14R0.179 CCCCCCCNC(=O)CCCSC 1626a_100000229938_100000173376 [0,2,0,0,0,0|2,0,0]=4 15057 B14R0.179 CCCCCCCNC(=O)CCCSC 240690a_100000229938_100000173376 [0,2,0,0,0,0|2,0,0]=4 15058 B14R0.179 CCCCCCCNC(=O)CCCSC 527a_100000229938_100000173376 [0,2,0,0,0,0|2,0,0]=4 15059 B14R0.179 CCCCCCCNC(=O)CCOCC 11a_100000229938_100000749530 [0,2,0,0,0,0|1,0,0]=3 15060 B14R0.179 CCCCCCCNC(=O)CCOCC 1626a_100000229938_100000749530 [0,2,0,0,0,0|1,0,0]=3 15061 B14R0.179 CCCCCCCNC(=O)CCOCC 240690a_100000229938_100000749530 [0,2,0,0,0,0|1,0,0]=3 15062 B14R0.179 CCCCCCCNC(=O)CCOCC 527a_100000229938_100000749530 [0,2,0,0,0,0|1,0,0]=3 15063 B14R0.179 CCCCCCCNC(=O)CCSCC 11a_100000229938_100000230768 [0,2,0,0,0,0|1,1,0]=4 15064 B14R0.179 CCCCCCCNC(=O)CCSCC 1626a_100000229938_100000230768 [0,2,0,0,0,0|1,1,0]=4 15065 B14R0.179 CCCCCCCNC(=O)CCSCC 240690a_100000229938_100000230768 [0,2,0,0,0,0|1,1,0]=4 15066 B14R0.179 CCCCCCCNC(=O)CCSCC 527a_100000229938_100000230768 [0,2,0,0,0,0|1,1,0]=4 15067 B14R0.179 CCCCCCCNC(=O)COCCC 11a_100000229938_100000745993 [0,2,0,0,0,0|1,0,0]=3 15068 B14R0.179 CCCCCCCNC(=O)COCCC 1626a_100000229938_100000745993 [0,2,0,0,0,0|1,0,0]=3 15069 B14R0.179 CCCCCCCNC(=O)COCCC 240690a_100000229938_100000745993 [0,2,0,0,0,0|1,0,0]=3 15070 B14R0.179 CCCCCCCNC(=O)COCCC 527a_100000229938_100000745993 [0,2,0,0,0,0|1,0,0]=3 15071 B14R0.179 CCCCCCCNC(=O)COCCO 1626a_100000229938_100000708028 [0,2,0,0,0,0|1,0,0]=3 15072 B14R0.179 CCCCCCCNC(=O)COCCO 240690a_100000229938_100000708028 [0,2,0,0,0,0|1,0,0]=3 15073 B14R0.179 CCCCCCCNC(=O)CSCCC 11a_100000229938_100000217233 [0,2,0,0,0,0|1,1,0]=4 15074 B14R0.179 CCCCCCCNC(=O)CSCCC 1626a_100000229938_100000217233 [0,2,0,0,0,0|1,1,0]=4 15075 B14R0.179 CCCCCCCNC(=O)CSCCC 240690a_100000229938_100000217233 [0,2,0,0,0,0|1,1,0]=4 15076 B14R0.179 CCCCCCCNC(=O)CSCCC 527a_100000229938_100000217233 [0,2,0,0,0,0|1,1,0]=4 15077 B14R0.179 CCCCCCCNC(=O)NCCC#N 2708a_100000229938_100000720768 [0,2,0,0,0,0|2,0,0]=4 15078 B14R0.179 CCCCCCCNC(=O)NCCC#N 2708a_100000720768_100000229938 [0,2,0,0,0,0|2,0,0]=4 15079 B14R0.179 CCCCCCCNC(=O)NCCC#N 273464a_100000229938_100000720768 [0,2,0,0,0,0|2,0,0]=4 15080 B14R0.179 CCCCCCCNC(=O)NCCC#N 273464a_100000720768_100000229938 [0,2,0,0,0,0|2,0,0]=4 15081 B14R0.179 CCCCCCCNC(=O)NCCC#N 512a_100000229938_100000720768 [0,2,0,0,0,0|2,0,0]=4 15082 B14R0.179 CCCCCCCNC(=O)NCCC#N 512a_100000720768_100000229938 [0,2,0,0,0,0|2,0,0]=4 15083 B14R0.179 CCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229938 [0,2,0,0,0,0|2,0,0]=4 15084 B14R0.179 CCCCCCCNC(=O)NCCCC 2708a_100000229938_100000102301 [0,2,0,0,0,0|2,0,0]=4 15085 B14R0.179 CCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229938 [0,2,0,0,0,0|2,0,0]=4 15086 B14R0.179 CCCCCCCNC(=O)NCCCC 273464a_100000229938_100000102301 [0,2,0,0,0,0|2,0,0]=4 15087 B14R0.179 CCCCCCCNC(=O)NCCCC 512a_100000102301_100000229938 [0,2,0,0,0,0|2,0,0]=4 15088 B14R0.179 CCCCCCCNC(=O)NCCCC 512a_100000229938_100000102301 [0,2,0,0,0,0|2,0,0]=4 15089 B14R0.179 CCCCCCCNC(=O)NCCCF 2708a_100000229938_100015189416 [0,2,0,0,0,0|2,0,0]=4 15090 B14R0.179 CCCCCCCNC(=O)NCCCF 2708a_100015189416_100000229938 [0,2,0,0,0,0|2,0,0]=4 15091 B14R0.179 CCCCCCCNC(=O)NCCCF 273464a_100000229938_100015189416 [0,2,0,0,0,0|2,0,0]=4 15092 B14R0.179 CCCCCCCNC(=O)NCCCF 273464a_100015189416_100000229938 [0,2,0,0,0,0|2,0,0]=4 15093 B14R0.179 CCCCCCCNC(=O)NCCCF 512a_100000229938_100015189416 [0,2,0,0,0,0|2,0,0]=4 15094 B14R0.179 CCCCCCCNC(=O)NCCCF 512a_100015189416_100000229938 [0,2,0,0,0,0|2,0,0]=4 15095 B14R0.179 CCCCCCCNC(=O)NCCCO 2708a_100000229938_100000182051 [0,2,0,0,0,0|2,0,0]=4 15096 B14R0.179 CCCCCCCNC(=O)NCCCO 273464a_100000182051_100000229938 [0,2,0,0,0,0|2,0,0]=4 15097 B14R0.179 CCCCCCCNC(=O)NCCCO 273464a_100000229938_100000182051 [0,2,0,0,0,0|2,0,0]=4 15098 B14R0.179 CCCCCCCNC(=O)NCCCO 512a_100000229938_100000182051 [0,2,0,0,0,0|2,0,0]=4 15099 B14R0.179 CCCCCCCNC(=O)NCCOC 2708a_100000229938_100000209980 [0,2,0,0,0,0|2,0,0]=4 15100 B14R0.179 CCCCCCCNC(=O)NCCOC 273464a_100000209980_100000229938 [0,2,0,0,0,0|2,0,0]=4 15101 B14R0.179 CCCCCCCNC(=O)NCCOC 273464a_100000229938_100000209980 [0,2,0,0,0,0|2,0,0]=4 15102 B14R0.179 CCCCCCCNC(=O)NCCSC 2708a_100000229938_100020590264 [0,2,0,0,0,0|2,0,0]=4 15103 B14R0.179 CCCCCCCNC(=O)NCCSC 2708a_100020590264_100000229938 [0,2,0,0,0,0|2,0,0]=4 15104 B14R0.179 CCCCCCCNC(=O)NCCSC 273464a_100000229938_100020590264 [0,2,0,0,0,0|2,0,0]=4 15105 B14R0.179 CCCCCCCNC(=O)NCCSC 273464a_100020590264_100000229938 [0,2,0,0,0,0|2,0,0]=4 15106 B14R0.179 CCCCCCCNC(=O)NCCSC 512a_100000229938_100020590264 [0,2,0,0,0,0|2,0,0]=4 15107 B14R0.179 CCCCCCCNC(=O)NCCSC 512a_100020590264_100000229938 [0,2,0,0,0,0|2,0,0]=4 15108 B14R0.179 CCCCCCCNC(=O)NNCCC 273464a_100000229938_100000740057 [0,2,0,0,0,0|2,0,0]=4 15109 B14R0.179 CCCCCCCNC(=O)NNCCC 512a_100000229938_100000740057 [0,2,0,0,0,0|2,0,0]=4 15110 B14R0.179 CCCCCCCNC(=O)NNCCC 512a_100000740057_100000229938 [0,2,0,0,0,0|2,0,0]=4 15111 B14R0.179 CCCCCCCNC(=O)NNCCO 273464a_100000229938_100000210001 [0,2,0,0,0,0|2,0,0]=4 15112 B14R0.179 CCCCCCCNC(=O)NNCCO 512a_100000229938_100000210001 [0,2,0,0,0,0|2,0,0]=4 15113 B14R0.179 CCCCCCNCC(=O)CCCCC 2230a_100000210581_200012276598 [0,2,0,0,0,0|2,0,0]=4 15114 B14R0.179 CCCCCCNCC(=O)NCCCC 2230a_100000210581_100000182744 [0,2,0,0,0,0|2,0,0]=4 15115 B14R0.179 CCCCCCNCC(=O)NCCOC 2230a_100000210581_100000183275 [0,2,0,0,0,0|2,0,0]=4 15116 B14R0.179 CCCCCCNCC(=O)NCCOC 2230a_100000754632_100000210314 [0,2,0,0,0,0|2,0,0]=4 15117 B14R0.179 CCCCCCNCC(=O)OCCCC 2230a_100000210581_100000211628 [0,2,0,0,0,0|1,0,0]=3 15118 B14R0.179 CCCCCCNCC(=O)OCCOC 2230a_100000210581_200000040189 [0,2,0,0,0,0|1,0,0]=3 15119 B14R0.179 CCCCCCOCC(=O)CCCCC 34a_100000210259_200012276598 [0,2,0,0,0,0|2,0,0]=4 15120 B14R0.179 CCCCCCOCC(=O)CCCCC 7a_100000210259_200012276598 [0,2,0,0,0,0|2,0,0]=4 15121 B14R0.179 CCCCCCOCC(=O)NCCCC 34a_100000210259_100000182744 [0,2,0,0,0,0|2,0,0]=4 15122 B14R0.179 CCCCCCOCC(=O)NCCCC 7a_100000210259_100000182744 [0,2,0,0,0,0|2,0,0]=4 15123 B14R0.179 CCCCCCOCC(=O)NCCOC 34a_100000210259_100000183275 [0,2,0,0,0,0|2,0,0]=4 15124 B14R0.179 CCCCCCOCC(=O)NCCOC 7a_100000210259_100000183275 [0,2,0,0,0,0|2,0,0]=4 15125 B14R0.179 CCCCCCOCC(=O)OCCCC 34a_100000210259_100000211628 [0,2,0,0,0,0|1,0,0]=3 15126 B14R0.179 CCCCCCOCC(=O)OCCCC 7a_100000210259_100000211628 [0,2,0,0,0,0|1,0,0]=3 15127 B14R0.179 CCCCCCOCC(=O)OCCOC 34a_100000210259_200000040189 [0,2,0,0,0,0|1,0,0]=3 15128 B14R0.179 CCCCCCOCC(=O)OCCOC 7a_100000210259_200000040189 [0,2,0,0,0,0|1,0,0]=3 15129 B14R0.179 CCCCCCSCC(=O)CCCCC 62a_100000210314_200012276598 [0,2,0,0,0,0|2,0,0]=4 15130 B14R0.179 CCCCCCSCC(=O)CCCCC 62a_200012276598_100000210757 [0,2,0,0,0,0|2,0,0]=4 15131 B14R0.179 CCCCCCSCC(=O)NCCCC 62a_100000182744_100000210757 [0,2,0,0,0,0|2,0,0]=4 15132 B14R0.179 CCCCCCSCC(=O)NCCCC 62a_100000210314_100000182744 [0,2,0,0,0,0|2,0,0]=4 15133 B14R0.179 CCCCCCSCC(=O)NCCOC 62a_100000183275_100000210757 [0,2,0,0,0,0|2,0,0]=4 15134 B14R0.179 CCCCCCSCC(=O)NCCOC 62a_100000210314_100000183275 [0,2,0,0,0,0|2,0,0]=4 15135 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000210314_100000211628 [0,2,0,0,0,0|1,0,0]=3 15136 B14R0.179 CCCCCCSCC(=O)OCCCC 62a_100000211628_100000210757 [0,2,0,0,0,0|1,0,0]=3 15137 B14R0.179 CCCCCCSCC(=O)OCCOC 62a_100000210314_200000040189 [0,2,0,0,0,0|1,0,0]=3 15138 B14R0.179 CCCCCCSCC(=O)OCCOC 62a_200000040189_100000210757 [0,2,0,0,0,0|1,0,0]=3 15139 B14R0.179 CCCCNC(=O)CCCCCCCO 240690a_100000102301_100011219782 [0,2,0,0,0,0|2,0,0]=4 15140 B14R0.179 CCCCOC(=O)CNCCCCCO 2230a_100000762737_100000211628 [0,2,0,0,0,0|2,0,0]=4 15141 B14R0.179 CCCCOC(=O)CNCCCCCO 34a_100000762737_100000211628 [0,2,0,0,0,0|2,0,0]=4 15142 B14R0.179 CCCCOC(=O)CNCCCOCC 2230a_100000210961_100000211628 [0,2,0,0,0,0|2,0,0]=4 15143 B14R0.179 CCCCOC(=O)CNCCCOCC 34a_100000210961_100000211628 [0,2,0,0,0,0|2,0,0]=4 15144 B14R0.179 CCCCOC(=O)CNCCOCCC 2230a_100161115042_100000211628 [0,2,0,0,0,0|2,0,0]=4 15145 B14R0.179 CCCCOC(=O)CNCCOCCC 34a_100161115042_100000211628 [0,2,0,0,0,0|2,0,0]=4 15146 B14R0.179 CCCCOC(=O)CNCCSCCC 2230a_100020603323_100000211628 [0,2,0,0,0,0|2,0,0]=4 15147 B14R0.179 CCCCOC(=O)COCCCCCBr 34a_100000746331_100000211628 [0,2,0,0,0,0|2,0,0]=4 15148 B14R0.179 CCCCOC(=O)COCCCCCBr 7a_100000746331_100000211628 [0,2,0,0,0,0|2,0,0]=4 15149 B14R0.179 CCCCOC(=O)COCCCCCCl 34a_100000746330_100000211628 [0,2,0,0,0,0|2,0,0]=4 15150 B14R0.179 CCCCOC(=O)COCCCCCCl 7a_100000746330_100000211628 [0,2,0,0,0,0|2,0,0]=4 15151 B14R0.179 CCCCOC(=O)COCCCCCI 34a_200012148887_100000211628 [0,2,0,0,0,0|2,0,0]=4 15152 B14R0.179 CCCCOC(=O)COCCCCCI 7a_200012148887_100000211628 [0,2,0,0,0,0|2,0,0]=4 15153 B14R0.179 CCCCOC(=O)COCCCCCN 34a_100000762737_100000211628 [0,2,0,0,0,0|2,0,0]=4 15154 B14R0.179 CCCCOC(=O)COCCCCOC 34a_100000740925_100000211628 [0,2,0,0,0,0|2,0,0]=4 15155 B14R0.179 CCCCOC(=O)COCCCCSC 34a_100011217163_100000211628 [0,2,0,0,0,0|2,0,0]=4 15156 B14R0.179 CCCCOC(=O)COCCCCSC 7a_100011217163_100000211628 [0,2,0,0,0,0|2,0,0]=4 15157 B14R0.179 CCCCOC(=O)COCCCOCC 34a_100000757476_100000211628 [0,2,0,0,0,0|2,0,0]=4 15158 B14R0.179 CCCCOC(=O)COCCCOCC 7a_100000757476_100000211628 [0,2,0,0,0,0|2,0,0]=4 15159 B14R0.179 CCCCOC(=O)COCCCSCC 34a_100011216438_100000211628 [0,2,0,0,0,0|2,0,0]=4 15160 B14R0.179 CCCCOC(=O)COCCCSCC 7a_100011216438_100000211628 [0,2,0,0,0,0|2,0,0]=4 15161 B14R0.179 CCCCOC(=O)COCCOCCC 34a_100000752267_100000211628 [0,2,0,0,0,0|2,0,0]=4 15162 B14R0.179 CCCCOC(=O)COCCOCCC 7a_100000752267_100000211628 [0,2,0,0,0,0|2,0,0]=4 15163 B14R0.179 CCCCOC(=O)COCCSCCC 34a_200000230433_100000211628 [0,2,0,0,0,0|2,0,0]=4 15164 B14R0.179 CCCCOC(=O)COCCSCCC 7a_200000230433_100000211628 [0,2,0,0,0,0|2,0,0]=4 15165 B14R0.179 CCCCOC(=O)CSCCCCCF 62a_100000211628_100000729378 [0,2,0,0,0,0|2,0,0]=4 15166 B14R0.179 CCCCOC(=O)CSCCCCCF 62a_100000729378_100000211628 [0,2,0,0,0,0|2,0,0]=4 15167 B14R0.179 CCCCOC(=O)CSCCCCCO 62a_100000211628_100000746330 [0,2,0,0,0,0|2,0,0]=4 15168 B14R0.179 CCCCOC(=O)CSCCCCCO 62a_100000746330_100000211628 [0,2,0,0,0,0|2,0,0]=4 15169 B14R0.179 CCCCOC(=O)CSCCCCOC 62a_100000211628_100000730899 [0,2,0,0,0,0|2,0,0]=4 15170 B14R0.179 CCCCOC(=O)CSCCCCOC 62a_100000730899_100000211628 [0,2,0,0,0,0|2,0,0]=4 15171 B14R0.179 CCCCOC(=O)CSCCCOCC 62a_100000211628_100012232248 [0,2,0,0,0,0|2,0,0]=4 15172 B14R0.179 CCCCOC(=O)CSCCCOCC 62a_100012232248_100000211628 [0,2,0,0,0,0|2,0,0]=4 15173 B14R0.179 CCCCOC(=O)CSCCOCCC 62a_100000211628_100011215938 [0,2,0,0,0,0|2,0,0]=4 15174 B14R0.179 CCCCOC(=O)CSCCOCCC 62a_100011215938_100000211628 [0,2,0,0,0,0|2,0,0]=4 15175 B14R0.179 CCCCOCSCC(=O)OCCCC 62a_100000211628_100011995733 [0,2,0,0,0,0|2,0,0]=4 15176 B14R0.179 CCCCOCSCC(=O)OCCCC 62a_100011995733_100000211628 [0,2,0,0,0,0|2,0,0]=4 15177 B14R0.179 CCCCOCSCC(=O)OCCOC 62a_100011995733_200000040189 [0,2,0,0,0,0|2,0,0]=4 15178 B14R0.179 CCCCOCSCC(=O)OCCOC 62a_200000040189_100011995733 [0,2,0,0,0,0|2,0,0]=4 15179 B14R0.179 CCCCSCCNC(=O)C=COCC 11a_100025743550_100016266692 [0,2,0,0,0,0|2,0,0]=4 15180 B14R0.179 CCCCSCCNC(=O)C=COCC 1626a_100025743550_100016266692 [0,2,0,0,0,0|2,0,0]=4 15181 B14R0.179 CCCCSCCNC(=O)C=COCC 240690a_100025743550_100016266692 [0,2,0,0,0,0|2,0,0]=4 15182 B14R0.179 CCCCSCCNC(=O)CCOCC 11a_100025743550_100000749530 [0,2,0,0,0,0|2,0,0]=4 15183 B14R0.179 CCCCSCCNC(=O)CCOCC 1626a_100025743550_100000749530 [0,2,0,0,0,0|2,0,0]=4 15184 B14R0.179 CCCCSCCNC(=O)CCOCC 240690a_100025743550_100000749530 [0,2,0,0,0,0|2,0,0]=4 15185 B14R0.179 CCCCSCCNC(=O)CCOCC 527a_100025743550_100000749530 [0,2,0,0,0,0|2,0,0]=4 15186 B14R0.179 CCCCSCCNC(=O)COCCC 11a_100025743550_100000745993 [0,2,0,0,0,0|2,0,0]=4 15187 B14R0.179 CCCCSCCNC(=O)COCCC 1626a_100025743550_100000745993 [0,2,0,0,0,0|2,0,0]=4 15188 B14R0.179 CCCCSCCNC(=O)COCCC 240690a_100025743550_100000745993 [0,2,0,0,0,0|2,0,0]=4 15189 B14R0.179 CCCCSCCNC(=O)COCCC 527a_100025743550_100000745993 [0,2,0,0,0,0|2,0,0]=4 15190 B14R0.179 CCCCSCCNC(=O)COCCO 1626a_100025743550_100000708028 [0,2,0,0,0,0|2,0,0]=4 15191 B14R0.179 CCCCSCCNC(=O)COCCO 240690a_100025743550_100000708028 [0,2,0,0,0,0|2,0,0]=4 15192 B14R0.179 CCCNNC(=O)CCCCCCCO 22a_100000740057_100011219782 [0,2,0,0,0,0|2,0,0]=4 15193 B14R0.179 CCCOCC(=O)CCCCCCC#N 1458a_100000745993_100009813337 [0,2,0,0,0,0|1,0,1]=4 15194 B14R0.179 CCCOCC(=O)CCCCCCCO 1458a_100000745993_100000760002 [0,2,0,0,0,0|1,0,0]=3 15195 B14R0.179 CCCOCC(=O)CCCCCCOC 1458a_100000745993_100011998445 [0,2,0,0,0,0|1,0,0]=3 15196 B14R0.179 CCCOCC(=O)CCCOCCOC 1458a_100000745993_100011216529 [0,2,0,0,0,0|2,0,0]=4 15197 B14R0.179 CCCOCC(=O)CCOCCOCC 1458a_100000745993_100011211534 [0,2,0,0,0,0|2,0,0]=4 15198 B14R0.179 CCCOCC(=O)NCCCCCCO 240690a_100000686447_100000745993 [0,2,0,0,0,0|2,0,0]=4 15199 B14R0.179 CCCOCC(=O)NCCCCCCO 527a_100000686447_100000745993 [0,2,0,0,0,0|2,0,0]=4 15200 B14R0.179 CCCOCC(=O)NCCCCCOC 11a_100000747528_100000745993 [0,2,0,0,0,0|2,0,0]=4 15201 B14R0.179 CCCOCC(=O)NCCCCCOC 1626a_100000747528_100000745993 [0,2,0,0,0,0|2,0,0]=4 15202 B14R0.179 CCCOCC(=O)NCCCCCOC 240690a_100000747528_100000745993 [0,2,0,0,0,0|2,0,0]=4 15203 B14R0.179 CCCOCC(=O)NCCCCCOC 527a_100000747528_100000745993 [0,2,0,0,0,0|2,0,0]=4 15204 B14R0.179 CCCOCCCNC(=O)C=COCC 1626a_100011217757_100016266692 [0,2,0,0,0,0|2,0,0]=4 15205 B14R0.179 CCCOCCCNC(=O)C=COCC 240690a_100011217757_100016266692 [0,2,0,0,0,0|2,0,0]=4 15206 B14R0.179 CCCOCCCNC(=O)CCOCC 1626a_100011217757_100000749530 [0,2,0,0,0,0|2,0,0]=4 15207 B14R0.179 CCCOCCCNC(=O)CCOCC 240690a_100011217757_100000749530 [0,2,0,0,0,0|2,0,0]=4 15208 B14R0.179 CCCOCCCNC(=O)CCOCC 527a_100011217757_100000749530 [0,2,0,0,0,0|2,0,0]=4 15209 B14R0.179 CCCOCCCNC(=O)COCCC 1626a_100011217757_100000745993 [0,2,0,0,0,0|2,0,0]=4 15210 B14R0.179 CCCOCCCNC(=O)COCCC 240690a_100011217757_100000745993 [0,2,0,0,0,0|2,0,0]=4 15211 B14R0.179 CCCOCCCNC(=O)COCCC 527a_100011217757_100000745993 [0,2,0,0,0,0|2,0,0]=4 15212 B14R0.179 CCCOCCCNC(=O)COCCO 1626a_100011217757_100000708028 [0,2,0,0,0,0|2,0,0]=4 15213 B14R0.179 CCCOCCCNC(=O)COCCO 240690a_100011217757_100000708028 [0,2,0,0,0,0|2,0,0]=4 15214 B14R0.179 CCCOCCNCC(=O)OCCOC 2230a_100161115042_200000040189 [0,2,0,0,0,0|2,0,0]=4 15215 B14R0.179 CCCOCCNCC(=O)OCCOC 34a_100161115042_200000040189 [0,2,0,0,0,0|2,0,0]=4 15216 B14R0.179 CCCOCCOCC(=O)OCCOC 34a_100000752267_200000040189 [0,2,0,0,0,0|2,0,0]=4 15217 B14R0.179 CCCOCCOCC(=O)OCCOC 7a_100000752267_200000040189 [0,2,0,0,0,0|2,0,0]=4 15218 B14R0.179 CCCOCCSCC(=O)OCCOC 62a_100011215938_200000040189 [0,2,0,0,0,0|2,0,0]=4 15219 B14R0.179 CCCOCCSCC(=O)OCCOC 62a_200000040189_100011215938 [0,2,0,0,0,0|2,0,0]=4 15220 B14R0.179 CCCSCC(=O)CCCCCCCO 1458a_100000217233_100000760002 [0,2,0,0,0,0|1,1,0]=4 15221 B14R0.179 CCCSCC(=O)CCCCCCOC 1458a_100000217233_100011998445 [0,2,0,0,0,0|1,1,0]=4 15222 B14R0.179 CCCSCCNCC(=O)OCCOC 2230a_100020603323_200000040189 [0,2,0,0,0,0|2,0,0]=4 15223 B14R0.179 CCCSCCOCC(=O)OCCOC 34a_200000230433_200000040189 [0,2,0,0,0,0|2,0,0]=4 15224 B14R0.179 CCCSCCOCC(=O)OCCOC 7a_200000230433_200000040189 [0,2,0,0,0,0|2,0,0]=4 15225 B14R0.179 CCOC=CC(=O)CCCCCCC#N 1458a_100016266692_100009813337 [0,2,0,0,0,0|1,0,1]=4 15226 B14R0.179 CCOC=CC(=O)CCCCCCCO 1458a_100016266692_100000760002 [0,2,0,0,0,0|1,0,0]=3 15227 B14R0.179 CCOC=CC(=O)CCCCCCOC 1458a_100016266692_100011998445 [0,2,0,0,0,0|1,0,0]=3 15228 B14R0.179 CCOC=CC(=O)CCCOCCOC 1458a_100016266692_100011216529 [0,2,0,0,0,0|2,0,0]=4 15229 B14R0.179 CCOC=CC(=O)CCOCCOCC 1458a_100016266692_100011211534 [0,2,0,0,0,0|2,0,0]=4 15230 B14R0.179 CCOC=CC(=O)NCCCCCCO 240690a_100000686447_100016266692 [0,2,0,0,0,0|2,0,0]=4 15231 B14R0.179 CCOC=CC(=O)NCCCCCOC 11a_100000747528_100016266692 [0,2,0,0,0,0|2,0,0]=4 15232 B14R0.179 CCOC=CC(=O)NCCCCCOC 1626a_100000747528_100016266692 [0,2,0,0,0,0|2,0,0]=4 15233 B14R0.179 CCOC=CC(=O)NCCCCCOC 240690a_100000747528_100016266692 [0,2,0,0,0,0|2,0,0]=4 15234 B14R0.179 CCOCCC(=O)CCCCCCC#N 1458a_100000749530_100009813337 [0,2,0,0,0,0|1,0,1]=4 15235 B14R0.179 CCOCCC(=O)CCCCCCCO 1458a_100000749530_100000760002 [0,2,0,0,0,0|1,0,0]=3 15236 B14R0.179 CCOCCC(=O)CCCCCCCO 1458a_100011219782_100011215890 [0,2,0,0,0,0|1,0,0]=3 15237 B14R0.179 CCOCCC(=O)CCCCCCOC 1458a_100000749530_100011998445 [0,2,0,0,0,0|1,0,0]=3 15238 B14R0.179 CCOCCC(=O)CCCOCCOC 1458a_100000749530_100011216529 [0,2,0,0,0,0|2,0,0]=4 15239 B14R0.179 CCOCCC(=O)NCCCCCCO 240690a_100000686447_100000749530 [0,2,0,0,0,0|2,0,0]=4 15240 B14R0.179 CCOCCC(=O)NCCCCCCO 527a_100000686447_100000749530 [0,2,0,0,0,0|2,0,0]=4 15241 B14R0.179 CCOCCC(=O)NCCCCCOC 11a_100000747528_100000749530 [0,2,0,0,0,0|2,0,0]=4 15242 B14R0.179 CCOCCC(=O)NCCCCCOC 1626a_100000747528_100000749530 [0,2,0,0,0,0|2,0,0]=4 15243 B14R0.179 CCOCCC(=O)NCCCCCOC 240690a_100000747528_100000749530 [0,2,0,0,0,0|2,0,0]=4 15244 B14R0.179 CCOCCC(=O)NCCCCCOC 527a_100000747528_100000749530 [0,2,0,0,0,0|2,0,0]=4 15245 B14R0.179 CCOCCCNCC(=O)OCCOC 2230a_100000210961_200000040189 [0,2,0,0,0,0|2,0,0]=4 15246 B14R0.179 CCOCCCNCC(=O)OCCOC 34a_100000210961_200000040189 [0,2,0,0,0,0|2,0,0]=4 15247 B14R0.179 CCOCCCOCC(=O)OCCOC 34a_100000757476_200000040189 [0,2,0,0,0,0|2,0,0]=4 15248 B14R0.179 CCOCCCOCC(=O)OCCOC 7a_100000757476_200000040189 [0,2,0,0,0,0|2,0,0]=4 15249 B14R0.179 CCOCCCSCC(=O)OCCOC 62a_100012232248_200000040189 [0,2,0,0,0,0|2,0,0]=4 15250 B14R0.179 CCOCCCSCC(=O)OCCOC 62a_200000040189_100012232248 [0,2,0,0,0,0|2,0,0]=4 15251 B14R0.179 CCOCCOCCC(=O)CCOCC 1458a_100000749530_100011211534 [0,2,0,0,0,0|2,0,0]=4 15252 B14R0.179 CCOCCOCCC(=O)COCCO 1458a_100000708028_100011211534 [0,2,0,0,0,0|2,0,0]=4 15253 B14R0.179 CCSCCC(=O)CCCCCCCO 1458a_100000230768_100000760002 [0,2,0,0,0,0|1,1,0]=4 15254 B14R0.179 CCSCCC(=O)CCCCCCCO 1458a_100011219782_100000757381 [0,2,0,0,0,0|1,1,0]=4 15255 B14R0.179 CCSCCC(=O)CCCCCCOC 1458a_100000230768_100011998445 [0,2,0,0,0,0|1,1,0]=4 15256 B14R0.179 CCSCCCOCC(=O)OCCOC 34a_100011216438_200000040189 [0,2,0,0,0,0|2,0,0]=4 15257 B14R0.179 CCSCCCOCC(=O)OCCOC 7a_100011216438_200000040189 [0,2,0,0,0,0|2,0,0]=4 15258 B14R0.179 COCC=CC(=O)CCCCCCCO 1458a_100016285016_100000760002 [0,2,0,0,0,0|2,0,0]=4 15259 B14R0.179 COCC=CC(=O)CCCCCCOC 1458a_100016285016_100011998445 [0,2,0,0,0,0|2,0,0]=4 15260 B14R0.179 COCCCC(=O)CCCCCCCO 1458a_100000741012_100000760002 [0,2,0,0,0,0|2,0,0]=4 15261 B14R0.179 COCCCC(=O)CCCCCCCO 1458a_100011219782_100000740836 [0,2,0,0,0,0|2,0,0]=4 15262 B14R0.179 COCCCCCCC(=O)CCCC#N 1458a_100000075515_100011998445 [0,2,0,0,0,0|2,0,0]=4 15263 B14R0.179 COCCCCCCC(=O)CCCCO 1458a_100000695505_100011998445 [0,2,0,0,0,0|2,0,0]=4 15264 B14R0.179 COCCCCCCC(=O)CCCOC 1458a_100000741012_100011998445 [0,2,0,0,0,0|2,0,0]=4 15265 B14R0.179 COCCCCCCC(=O)CCCSC 1458a_100000173376_100011998445 [0,2,0,0,0,0|2,0,0]=4 15266 B14R0.179 COCCCCCCC(=O)COCCO 1458a_100000708028_100011998445 [0,2,0,0,0,0|1,0,0]=3 15267 B14R0.179 COCCCCCNC(=O)COCCO 1626a_100000747528_100000708028 [0,2,0,0,0,0|2,0,0]=4 15268 B14R0.179 COCCCCCNC(=O)COCCO 240690a_100000747528_100000708028 [0,2,0,0,0,0|2,0,0]=4 15269 B14R0.179 COCCCCOCC(=O)OCCOC 34a_100000740925_200000040189 [0,2,0,0,0,0|2,0,0]=4 15270 B14R0.179 COCCCCSCC(=O)OCCOC 62a_100000730899_200000040189 [0,2,0,0,0,0|2,0,0]=4 15271 B14R0.179 COCCCCSCC(=O)OCCOC 62a_200000040189_100000730899 [0,2,0,0,0,0|2,0,0]=4 15272 B14R0.179 COCCNC(=O)CCCCCCCO 240690a_100000209980_100011219782 [0,2,0,0,0,0|2,0,0]=4 15273 B14R0.179 COCCOC(=O)CNCCCCCO 2230a_100000762737_200000040189 [0,2,0,0,0,0|2,0,0]=4 15274 B14R0.179 COCCOC(=O)CNCCCCCO 34a_100000762737_200000040189 [0,2,0,0,0,0|2,0,0]=4 15275 B14R0.179 COCCOC(=O)COCCCCCBr 34a_100000746331_200000040189 [0,2,0,0,0,0|2,0,0]=4 15276 B14R0.179 COCCOC(=O)COCCCCCBr 7a_100000746331_200000040189 [0,2,0,0,0,0|2,0,0]=4 15277 B14R0.179 COCCOC(=O)COCCCCCCl 34a_100000746330_200000040189 [0,2,0,0,0,0|2,0,0]=4 15278 B14R0.179 COCCOC(=O)COCCCCCCl 7a_100000746330_200000040189 [0,2,0,0,0,0|2,0,0]=4 15279 B14R0.179 COCCOC(=O)COCCCCCI 34a_200012148887_200000040189 [0,2,0,0,0,0|2,0,0]=4 15280 B14R0.179 COCCOC(=O)COCCCCCI 7a_200012148887_200000040189 [0,2,0,0,0,0|2,0,0]=4 15281 B14R0.179 COCCOC(=O)COCCCCCN 34a_100000762737_200000040189 [0,2,0,0,0,0|2,0,0]=4 15282 B14R0.179 COCCOC(=O)COCCCCSC 34a_100011217163_200000040189 [0,2,0,0,0,0|2,0,0]=4 15283 B14R0.179 COCCOC(=O)COCCCCSC 7a_100011217163_200000040189 [0,2,0,0,0,0|2,0,0]=4 15284 B14R0.179 COCCOC(=O)CSCCCCCF 62a_100000729378_200000040189 [0,2,0,0,0,0|2,0,0]=4 15285 B14R0.179 COCCOC(=O)CSCCCCCF 62a_200000040189_100000729378 [0,2,0,0,0,0|2,0,0]=4 15286 B14R0.179 COCCOC(=O)CSCCCCCO 62a_100000746330_200000040189 [0,2,0,0,0,0|2,0,0]=4 15287 B14R0.179 COCCOC(=O)CSCCCCCO 62a_200000040189_100000746330 [0,2,0,0,0,0|2,0,0]=4 15288 B14R0.179 COCCOCCCC(=O)COCCO 1458a_100000708028_100011216529 [0,2,0,0,0,0|2,0,0]=4 15289 B14R0.179 CSCCCC(=O)CCCCCCCO 1458a_100000173376_100000760002 [0,2,0,0,0,0|2,0,0]=4 15290 B14R0.179 CSCCNC(=O)CCCCCCCO 240690a_100020590264_100011219782 [0,2,0,0,0,0|2,0,0]=4 15291 B14R0.179 N#CCCCC(=O)CCCCCCCO 1458a_100000075515_100000760002 [0,2,0,0,0,0|2,0,0]=4 15292 B14R0.179 N#CCCCC(=O)CCCCCCCO 1458a_100011219782_100000211468 [0,2,0,0,0,0|2,0,0]=4 15293 B14R0.179 N#CCCCCCCC(=O)COCCO 1458a_100000708028_100009813337 [0,2,0,0,0,0|1,0,1]=4 15294 B14R0.179 N#CCCNC(=O)CCCCCCCO 240690a_100000720768_100011219782 [0,2,0,0,0,0|2,0,0]=4 15295 B14R0.179 O=C(CCCCCCCO)COCCO 1458a_100000708028_100000760002 [0,2,0,0,0,0|1,0,0]=3 15296 B14R0.179 O=C(CCCCCCCO)NCCCF 240690a_100015189416_100011219782 [0,2,0,0,0,0|2,0,0]=4 15297 B14R0.179 O=C(CCCCCCCO)NCCCO 240690a_100000182051_100011219782 [0,2,0,0,0,0|2,0,0]=4 15298 B14R0.179 O=C(CCCCCCCO)NNCCO 22a_100000210001_100011219782 [0,2,0,0,0,0|2,0,0]=4 15299 B14R0.179 O=C(CCCCF)CCCCCCCO 1458a_100011219782_100000729493 [0,2,0,0,0,0|2,0,0]=4 15300 B14R0.179 O=C(CCCCO)CCCCCCCO 1458a_100000695505_100000760002 [0,2,0,0,0,0|2,0,0]=4 15301 B14R0.179 O=C(CCCCO)CCCCCCCO 1458a_100011219782_100000210776 [0,2,0,0,0,0|2,0,0]=4 15302 B14R0.179 O=C(COCCO)NCCCCCCO 240690a_100000686447_100000708028 [0,2,0,0,0,0|2,0,0]=4 15303 B14R0.203 C=C(CC(=O)CCCCCC)OCOC 1458a_100102632555_100000042856 [0,2,0,0,0,0|1,0,1]=4 15304 B14R0.203 C=C(CN(C)CCCCCC)OCOC 269982a_106256046315_100000042856 [0,2,0,0,0,0|2,0,0]=4 15305 B14R0.203 C=CCOC(=O)CC(=O)CCCCCC 1458a_100102632555_100000033060 [0,2,0,0,0,0|0,0,2]=4 15306 B14R0.203 C=CCOC(=O)CN(C)CCCCCC 2230a_106256046315_100000033060 [0,2,0,0,0,0|1,0,1]=4 15307 B14R0.203 C=CCOC(=O)CN(C)CCCCCC 269982a_106256046315_100000033060 [0,2,0,0,0,0|1,0,1]=4 15308 B14R0.203 CCC=CC(=O)NC(C)CCCCCC 11a_100000210919_100000212282 [0,2,0,0,0,0|2,0,0]=4 15309 B14R0.203 CCC=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000212282 [0,2,0,0,0,0|2,0,0]=4 15310 B14R0.203 CCC=CC(=O)NC(C)CCCCCC 240690a_100000210919_100000212282 [0,2,0,0,0,0|2,0,0]=4 15311 B14R0.203 CCCCCCC(=O)CC(=O)NCCC 1458a_100102632555_100000183358 [0,2,0,0,0,0|1,0,1]=4 15312 B14R0.203 CCCCCCC(=O)CC(=O)OCCC 1458a_100102632555_200011215008 [0,2,0,0,0,0|0,0,1]=3 15313 B14R0.203 CCCCCCC(C)NC(=O)CCCC 11a_100000210919_100000210183 [0,2,0,0,0,0|2,0,0]=4 15314 B14R0.203 CCCCCCC(C)NC(=O)CCCC 1626a_100000210919_100000210183 [0,2,0,0,0,0|2,0,0]=4 15315 B14R0.203 CCCCCCC(C)NC(=O)CCCC 240690a_100000210919_100000210183 [0,2,0,0,0,0|2,0,0]=4 15316 B14R0.203 CCCCCCC(C)NC(=O)CCCC 527a_100000210919_100000210183 [0,2,0,0,0,0|2,0,0]=4 15317 B14R0.203 CCCCCCC(C)NC(=O)CCOC 11a_100000210919_100000749529 [0,2,0,0,0,0|2,0,0]=4 15318 B14R0.203 CCCCCCC(C)NC(=O)CCOC 1626a_100000210919_100000749529 [0,2,0,0,0,0|2,0,0]=4 15319 B14R0.203 CCCCCCC(C)NC(=O)CCOC 240690a_100000210919_100000749529 [0,2,0,0,0,0|2,0,0]=4 15320 B14R0.203 CCCCCCC(C)NC(=O)CCOC 527a_100000210919_100000749529 [0,2,0,0,0,0|2,0,0]=4 15321 B14R0.203 CCCCCCC(C)NC(=O)CCSC 11a_100000210919_100000174002 [0,2,0,0,0,0|2,0,0]=4 15322 B14R0.203 CCCCCCC(C)NC(=O)CCSC 1626a_100000210919_100000174002 [0,2,0,0,0,0|2,0,0]=4 15323 B14R0.203 CCCCCCC(C)NC(=O)CCSC 240690a_100000210919_100000174002 [0,2,0,0,0,0|2,0,0]=4 15324 B14R0.203 CCCCCCC(C)NC(=O)CCSC 527a_100000210919_100000174002 [0,2,0,0,0,0|2,0,0]=4 15325 B14R0.203 CCCCCCC(C)NC(=O)CNCC 2230a_100015525214_100000230341 [0,2,0,0,0,0|2,0,0]=4 15326 B14R0.203 CCCCCCC(C)NC(=O)COCC 11a_100000210919_100000211967 [0,2,0,0,0,0|1,0,0]=3 15327 B14R0.203 CCCCCCC(C)NC(=O)COCC 1626a_100000210919_100000211967 [0,2,0,0,0,0|1,0,0]=3 15328 B14R0.203 CCCCCCC(C)NC(=O)COCC 240690a_100000210919_100000211967 [0,2,0,0,0,0|1,0,0]=3 15329 B14R0.203 CCCCCCC(C)NC(=O)COCC 34a_100121572206_100000230341 [0,2,0,0,0,0|1,0,0]=3 15330 B14R0.203 CCCCCCC(C)NC(=O)COCC 527a_100000210919_100000211967 [0,2,0,0,0,0|1,0,0]=3 15331 B14R0.203 CCCCCCC(C)NC(=O)CSCC 11a_100000210919_100000230394 [0,2,0,0,0,0|1,1,0]=4 15332 B14R0.203 CCCCCCC(C)NC(=O)CSCC 1626a_100000210919_100000230394 [0,2,0,0,0,0|1,1,0]=4 15333 B14R0.203 CCCCCCC(C)NC(=O)CSCC 240690a_100000210919_100000230394 [0,2,0,0,0,0|1,1,0]=4 15334 B14R0.203 CCCCCCC(C)NC(=O)CSCC 527a_100000210919_100000230394 [0,2,0,0,0,0|1,1,0]=4 15335 B14R0.203 CCCCCCC(C)NC(=O)CSCC 62a_100000210202_100000230341 [0,2,0,0,0,0|1,1,0]=4 15336 B14R0.203 CCCCCCC(C)NC(=O)CSCC 62a_100000230341_100000210202 [0,2,0,0,0,0|1,1,0]=4 15337 B14R0.203 CCCCCCC(C)NC(=O)NCCC 2708a_100000210919_100020643023 [0,2,0,0,0,0|2,0,0]=4 15338 B14R0.203 CCCCCCC(C)NC(=O)NCCC 2708a_100020643023_100000210919 [0,2,0,0,0,0|2,0,0]=4 15339 B14R0.203 CCCCCCC(C)NC(=O)NCCC 273464a_100000210919_100020643023 [0,2,0,0,0,0|2,0,0]=4 15340 B14R0.203 CCCCCCC(C)NC(=O)NCCC 273464a_100020643023_100000210919 [0,2,0,0,0,0|2,0,0]=4 15341 B14R0.203 CCCCCCC(C)NC(=O)NCCC 512a_100000210919_100020643023 [0,2,0,0,0,0|2,0,0]=4 15342 B14R0.203 CCCCCCC(C)NC(=O)NCCC 512a_100020643023_100000210919 [0,2,0,0,0,0|2,0,0]=4 15343 B14R0.203 CCCCCCC(C)NC(=O)NCCF 2708a_100000210919_100000724931 [0,2,0,0,0,0|2,0,0]=4 15344 B14R0.203 CCCCCCC(C)NC(=O)NCCF 273464a_100000210919_100000724931 [0,2,0,0,0,0|2,0,0]=4 15345 B14R0.203 CCCCCCC(C)NC(=O)NCCF 273464a_100000724931_100000210919 [0,2,0,0,0,0|2,0,0]=4 15346 B14R0.203 CCCCCCC(C)NC(=O)NCCF 512a_100000210919_100000724931 [0,2,0,0,0,0|2,0,0]=4 15347 B14R0.203 CCCCCCC(C)NC(=O)NCCO 2708a_100000210919_100000210304 [0,2,0,0,0,0|2,0,0]=4 15348 B14R0.203 CCCCCCC(C)NC(=O)NCCO 273464a_100000210304_100000210919 [0,2,0,0,0,0|2,0,0]=4 15349 B14R0.203 CCCCCCC(C)NC(=O)NCCO 273464a_100000210919_100000210304 [0,2,0,0,0,0|2,0,0]=4 15350 B14R0.203 CCCCCCC(C)NC(=O)NCCO 512a_100000210919_100000210304 [0,2,0,0,0,0|2,0,0]=4 15351 B14R0.203 CCCCCCC(C)NC(=O)NNCC 273464a_100000210919_100000756455 [0,2,0,0,0,0|2,0,0]=4 15352 B14R0.203 CCCCCCC(C)NC(=O)NNCC 512a_100000210919_100000756455 [0,2,0,0,0,0|2,0,0]=4 15353 B14R0.203 CCCCCCC(C)NC(=O)NNCC 512a_100000756455_100000210919 [0,2,0,0,0,0|2,0,0]=4 15354 B14R0.203 CCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210314 [0,2,0,0,0,0|2,0,0]=4 15355 B14R0.203 CCCCCCN(C)CC(=O)NCCC 2230a_106256046315_100000183358 [0,2,0,0,0,0|2,0,0]=4 15356 B14R0.203 CCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210757 [0,2,0,0,0,0|2,0,0]=4 15357 B14R0.203 CCCCCCN(C)CC(=O)NCCC 269982a_106256046315_100000183358 [0,2,0,0,0,0|2,0,0]=4 15358 B14R0.203 CCCCCCN(C)CC(=O)OCCC 2230a_106256046315_200011215008 [0,2,0,0,0,0|1,0,0]=3 15359 B14R0.203 CCCCCCN(C)CC(=O)OCCC 269982a_106256046315_200011215008 [0,2,0,0,0,0|1,0,0]=3 15360 B14R0.203 CCCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000230301 [0,2,0,0,0,0|1,0,1]=4 15361 B14R0.203 CCCCOCC(=O)CC(=O)OCCC 1458a_100000757543_200011215008 [0,2,0,0,0,0|1,0,1]=4 15362 B14R0.203 CCCCSCC(=O)CC(=O)OCCC 1458a_100000191162_200011215008 [0,2,0,0,0,0|1,0,1]=4 15363 B14R0.203 CCCOC(=O)CC(=O)CCCCCO 1458a_100102619762_200011215008 [0,2,0,0,0,0|1,0,1]=4 15364 B14R0.203 CCCOC(=O)CN(C)CCCCCO 2230a_100000722520_200011215008 [0,2,0,0,0,0|2,0,0]=4 15365 B14R0.203 CCCOC(=O)CN(C)CCCCCO 269982a_100000722520_200011215008 [0,2,0,0,0,0|2,0,0]=4 15366 B14R0.344 C#CCCCCCCC(=O)COC(C)C 1458a_100000745533_100012276617 [0,2,0,0,0,0|0,0,2]=4 15367 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_100000210188_100000730704 [0,2,0,0,0,0|1,0,0]=3 15368 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_200000688413_100000210759 [0,2,0,0,0,0|1,0,0]=3 15369 B14R0.344 C=C(C)CCC(=O)CCCCCCCO 1458a_100011219782_100000730704 [0,2,0,0,0,0|2,0,0]=4 15370 B14R0.344 C=C(C)CCC(=O)CCCCCCCO 1458a_200000688413_100000760002 [0,2,0,0,0,0|2,0,0]=4 15371 B14R0.344 C=C(C)CCC(=O)CCCCCCOC 1458a_200000688413_100011998445 [0,2,0,0,0,0|2,0,0]=4 15372 B14R0.344 C=C(C)CCC(=O)NCCCCCCC 11a_100000229938_200000688413 [0,2,0,0,0,0|2,0,0]=4 15373 B14R0.344 C=C(C)CCC(=O)NCCCCCCC 1626a_100000229938_200000688413 [0,2,0,0,0,0|2,0,0]=4 15374 B14R0.344 C=C(C)CCC(=O)NCCCCCCC 240690a_100000229938_200000688413 [0,2,0,0,0,0|2,0,0]=4 15375 B14R0.344 C=C(C)CCC(=O)NCCCCCCC 527a_100000229938_200000688413 [0,2,0,0,0,0|2,0,0]=4 15376 B14R0.344 C=C(C)CNC(=O)CCCCCCCC 11a_100000765925_100000210188 [0,2,0,0,0,0|1,0,0]=3 15377 B14R0.344 C=C(C)CNC(=O)CCCCCCCC 1626a_100000765925_100000210188 [0,2,0,0,0,0|1,0,0]=3 15378 B14R0.344 C=C(C)CNC(=O)CCCCCCCC 240690a_100000765925_100000210188 [0,2,0,0,0,0|1,0,0]=3 15379 B14R0.344 C=C(C)CNC(=O)CCCCCCCC 527a_100000765925_100000210188 [0,2,0,0,0,0|1,0,0]=3 15380 B14R0.344 C=C(C)CNC(=O)CCCCCCCO 240690a_100000765925_100011219782 [0,2,0,0,0,0|2,0,0]=4 15381 B14R0.344 C=C(C)CNC(=O)NCCCCCCC 2708a_100000229938_100000765925 [0,2,0,0,0,0|2,0,0]=4 15382 B14R0.344 C=C(C)CNC(=O)NCCCCCCC 2708a_100000765925_100000229938 [0,2,0,0,0,0|2,0,0]=4 15383 B14R0.344 C=C(C)CNC(=O)NCCCCCCC 273464a_100000229938_100000765925 [0,2,0,0,0,0|2,0,0]=4 15384 B14R0.344 C=C(C)CNC(=O)NCCCCCCC 273464a_100000765925_100000229938 [0,2,0,0,0,0|2,0,0]=4 15385 B14R0.344 C=C(C)CNC(=O)NCCCCCCC 512a_100000229938_100000765925 [0,2,0,0,0,0|2,0,0]=4 15386 B14R0.344 C=C(C)CNC(=O)NCCCCCCC 512a_100000765925_100000229938 [0,2,0,0,0,0|2,0,0]=4 15387 B14R0.344 C=C(C)COC(C)CCCCCCCC 34a_100000210740_100000748629 [0,2,0,0,0,0|1,0,1]=4 15388 B14R0.344 C=C(C)COC(C)CCCCCCCC 7a_100000210740_100000748629 [0,2,0,0,0,0|1,0,1]=4 15389 B14R0.344 C=CCCCCCCC(=O)COC(C)C 1458a_100000745533_100011215473 [0,2,0,0,0,0|0,0,2]=4 15390 B14R0.344 CC(=O)OCC(=O)CCCCCCCO 1458a_100000183556_100000760002 [0,2,0,0,0,0|1,0,1]=4 15391 B14R0.344 CC(C)C=CC(=O)CCCCCCCO 1458a_100016268746_100000760002 [0,2,0,0,0,0|2,0,0]=4 15392 B14R0.344 CC(C)CCC(=O)CCCCCCCO 1458a_100000181311_100000760002 [0,2,0,0,0,0|2,0,0]=4 15393 B14R0.344 CC(C)CCC(=O)CCCCCCCO 1458a_100011219782_100000210312 [0,2,0,0,0,0|2,0,0]=4 15394 B14R0.344 CC(C)CNC(=O)CCCCCCCO 240690a_100000210953_100011219782 [0,2,0,0,0,0|2,0,0]=4 15395 B14R0.344 CC(C)NNC(=O)CCCCCCCO 22a_100000741168_100011219782 [0,2,0,0,0,0|2,0,0]=4 15396 B14R0.344 CC(C)OCC(=O)CCCCCCC#N 1458a_100000745533_100009813337 [0,2,0,0,0,0|1,0,1]=4 15397 B14R0.344 CC(C)OCC(=O)CCCCCCCO 1458a_100000745533_100000760002 [0,2,0,0,0,0|1,0,0]=3 15398 B14R0.344 CC(C)OCC(=O)NCCCCCCO 240690a_100000686447_100000745533 [0,2,0,0,0,0|2,0,0]=4 15399 B14R0.344 CC(C)OCC(=O)NCCCCCCO 527a_100000686447_100000745533 [0,2,0,0,0,0|2,0,0]=4 15400 B14R0.344 CC(C)SCC(=O)CCCCCCCO 1458a_100000241585_100000760002 [0,2,0,0,0,0|1,1,0]=4 15401 B14R0.344 CC(O)CCC(=O)CCCCCCCO 1458a_100011219782_100012276601 [0,2,0,0,0,0|2,0,0]=4 15402 B14R0.344 CC(O)CNC(=O)CCCCCCCO 240690a_100000210904_100011219782 [0,2,0,0,0,0|2,0,0]=4 15403 B14R0.344 CCCCCC#CCC(=O)COC(C)C 1458a_100000745533_100009816472 [0,2,0,0,0,0|0,0,2]=4 15404 B14R0.344 CCCCCCCCC(=NNC(C)C)C 4a_100000741168_100011216694 [0,2,0,0,0,0|2,0,0]=4 15405 B14R0.344 CCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210759 [0,2,0,0,0,0|1,0,0]=3 15406 B14R0.344 CCCCCCCCC(=O)CC=C(C)C 1458a_100000210188_100000761012 [0,2,0,0,0,0|1,0,1]=4 15407 B14R0.344 CCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210759 [0,2,0,0,0,0|1,0,1]=4 15408 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,2,0,0,0,0|1,0,1]=4 15409 B14R0.344 CCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210759 [0,2,0,0,0,0|1,0,0]=3 15410 B14R0.344 CCCCCCCCC(=O)CCC(C)C 1458a_100000210188_100000210312 [0,2,0,0,0,0|1,0,0]=3 15411 B14R0.344 CCCCCCCCC(=O)CCC(C)O 1458a_100000210188_100012276601 [0,2,0,0,0,0|1,0,0]=3 15412 B14R0.344 CCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210759 [0,2,0,0,0,0|2,0,0]=4 15413 B14R0.344 CCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210759 [0,2,0,0,0,0|1,0,0]=3 15414 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,2,0,0,0,0|1,0,1]=4 15415 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,2,0,0,0,0|0,0,1]=3 15416 B14R0.344 CCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210759 [0,2,0,0,0,0|0,0,0]=2 15417 B14R0.344 CCCCCCCCC(=O)COC(F)F 1458a_200000719455_100000210759 [0,2,0,0,0,0|1,0,0]=3 15418 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,2,0,0,0,0|0,1,1]=4 15419 B14R0.344 CCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210759 [0,2,0,0,0,0|0,1,0]=3 15420 B14R0.344 CCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210759 [0,2,0,0,0,0|1,1,0]=4 15421 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 15422 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 15423 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 15424 B14R0.344 CCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210188 [0,2,0,0,0,0|1,0,0]=3 15425 B14R0.344 CCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210188 [0,2,0,0,0,0|1,0,0]=3 15426 B14R0.344 CCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210188 [0,2,0,0,0,0|1,0,0]=3 15427 B14R0.344 CCCCCCCCC(=O)NCC(C)C 527a_100000210953_100000210188 [0,2,0,0,0,0|1,0,0]=3 15428 B14R0.344 CCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210188 [0,2,0,0,0,0|1,0,0]=3 15429 B14R0.344 CCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210188 [0,2,0,0,0,0|1,0,0]=3 15430 B14R0.344 CCCCCCCCC(=O)NCC(C)O 527a_100000210904_100000210188 [0,2,0,0,0,0|1,0,0]=3 15431 B14R0.344 CCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210188 [0,2,0,0,0,0|1,0,0]=3 15432 B14R0.344 CCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210188 [0,2,0,0,0,0|1,0,0]=3 15433 B14R0.344 CCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210188 [0,2,0,0,0,0|1,0,0]=3 15434 B14R0.344 CCCCCCCCC(=O)NCC(F)F 527a_100000765723_100000210188 [0,2,0,0,0,0|1,0,0]=3 15435 B14R0.344 CCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210188 [0,2,0,0,0,0|1,0,1]=4 15436 B14R0.344 CCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210188 [0,2,0,0,0,0|1,0,0]=3 15437 B14R0.344 CCCCCCCCC(C)COC(C)C 34a_200012125181_100000210206 [0,2,0,0,0,0|1,0,1]=4 15438 B14R0.344 CCCCCCCCC(C)COC(C)C 7a_200012125181_100000210206 [0,2,0,0,0,0|1,0,1]=4 15439 B14R0.344 CCCCCCCCC(C)OCC(C)C 34a_100000210740_100000210624 [0,2,0,0,0,0|1,0,1]=4 15440 B14R0.344 CCCCCCCCC(C)OCC(C)C 7a_100000210740_100000210760 [0,2,0,0,0,0|1,0,1]=4 15441 B14R0.344 CCCCCCCCC(C)OCC(C)O 34a_100000210740_100011218427 [0,2,0,0,0,0|1,0,1]=4 15442 B14R0.344 CCCCCCCCC(C)OCC(C)O 7a_100000210740_100011218427 [0,2,0,0,0,0|1,0,1]=4 15443 B14R0.344 CCCCCCCCC(C)OCC(F)F 34a_100000210740_100011934356 [0,2,0,0,0,0|1,0,1]=4 15444 B14R0.344 CCCCCCCCC(C)OCC(F)F 7a_100000210740_100011934356 [0,2,0,0,0,0|1,0,1]=4 15445 B14R0.344 CCCCCCCCC(C)OC[C@@H](C)O 34a_100000210740_100009817552 [0,2,0,0,0,0|1,0,1]=4 15446 B14R0.344 CCCCCCCCC(C)OC[C@@H](C)O 7a_100000210740_100009817552 [0,2,0,0,0,0|1,0,1]=4 15447 B14R0.344 CCCCCCCCN(C)COC(C)C 2230a_100000207567_100000709892 [0,2,0,0,0,0|2,0,0]=4 15448 B14R0.344 CCCCCCCCN(C)COC(C)C 269982a_100000207567_100000709892 [0,2,0,0,0,0|2,0,0]=4 15449 B14R0.344 CCCCCCCNC(=O)C=CC(C)C 11a_100000229938_100016268746 [0,2,0,0,0,0|2,0,0]=4 15450 B14R0.344 CCCCCCCNC(=O)C=CC(C)C 1626a_100000229938_100016268746 [0,2,0,0,0,0|2,0,0]=4 15451 B14R0.344 CCCCCCCNC(=O)C=CC(C)C 240690a_100000229938_100016268746 [0,2,0,0,0,0|2,0,0]=4 15452 B14R0.344 CCCCCCCNC(=O)CCC(C)C 11a_100000229938_100000181311 [0,2,0,0,0,0|2,0,0]=4 15453 B14R0.344 CCCCCCCNC(=O)CCC(C)C 1626a_100000229938_100000181311 [0,2,0,0,0,0|2,0,0]=4 15454 B14R0.344 CCCCCCCNC(=O)CCC(C)C 240690a_100000229938_100000181311 [0,2,0,0,0,0|2,0,0]=4 15455 B14R0.344 CCCCCCCNC(=O)CCC(C)C 527a_100000229938_100000181311 [0,2,0,0,0,0|2,0,0]=4 15456 B14R0.344 CCCCCCCNC(=O)CCC(C)O 1626a_100000229938_100000718519 [0,2,0,0,0,0|2,0,0]=4 15457 B14R0.344 CCCCCCCNC(=O)CCN(C)C 11a_100000229938_100000689311 [0,2,0,0,0,0|2,0,0]=4 15458 B14R0.344 CCCCCCCNC(=O)CCN(C)C 240690a_100000229938_100000689311 [0,2,0,0,0,0|2,0,0]=4 15459 B14R0.344 CCCCCCCNC(=O)CCN(C)C 527a_100000229938_100000689311 [0,2,0,0,0,0|2,0,0]=4 15460 B14R0.344 CCCCCCCNC(=O)CC[S+](C)C 11a_100000229938_100009452791 [0,2,0,0,0,0|2,0,0]=4 15461 B14R0.344 CCCCCCCNC(=O)CC[S+](C)C 1626a_100000229938_100009452791 [0,2,0,0,0,0|2,0,0]=4 15462 B14R0.344 CCCCCCCNC(=O)CC[S+](C)C 240690a_100000229938_100009452791 [0,2,0,0,0,0|2,0,0]=4 15463 B14R0.344 CCCCCCCNC(=O)COC(=O)C 1626a_100000229938_100000183556 [0,2,0,0,0,0|1,0,1]=4 15464 B14R0.344 CCCCCCCNC(=O)COC(=O)C 240690a_100000229938_100000183556 [0,2,0,0,0,0|1,0,1]=4 15465 B14R0.344 CCCCCCCNC(=O)COC(=O)C 527a_100000229938_100000183556 [0,2,0,0,0,0|1,0,1]=4 15466 B14R0.344 CCCCCCCNC(=O)COC(C)C 11a_100000229938_100000745533 [0,2,0,0,0,0|1,0,0]=3 15467 B14R0.344 CCCCCCCNC(=O)COC(C)C 1626a_100000229938_100000745533 [0,2,0,0,0,0|1,0,0]=3 15468 B14R0.344 CCCCCCCNC(=O)COC(C)C 240690a_100000229938_100000745533 [0,2,0,0,0,0|1,0,0]=3 15469 B14R0.344 CCCCCCCNC(=O)COC(C)C 527a_100000229938_100000745533 [0,2,0,0,0,0|1,0,0]=3 15470 B14R0.344 CCCCCCCNC(=O)COC(F)F 11a_100000229938_200000719455 [0,2,0,0,0,0|2,0,0]=4 15471 B14R0.344 CCCCCCCNC(=O)COC(F)F 1626a_100000229938_200000719455 [0,2,0,0,0,0|2,0,0]=4 15472 B14R0.344 CCCCCCCNC(=O)COC(F)F 240690a_100000229938_200000719455 [0,2,0,0,0,0|2,0,0]=4 15473 B14R0.344 CCCCCCCNC(=O)COC(F)F 527a_100000229938_200000719455 [0,2,0,0,0,0|2,0,0]=4 15474 B14R0.344 CCCCCCCNC(=O)CSC(C)C 11a_100000229938_100000241585 [0,2,0,0,0,0|1,1,0]=4 15475 B14R0.344 CCCCCCCNC(=O)CSC(C)C 1626a_100000229938_100000241585 [0,2,0,0,0,0|1,1,0]=4 15476 B14R0.344 CCCCCCCNC(=O)CSC(C)C 240690a_100000229938_100000241585 [0,2,0,0,0,0|1,1,0]=4 15477 B14R0.344 CCCCCCCNC(=O)CSC(C)C 527a_100000229938_100000241585 [0,2,0,0,0,0|1,1,0]=4 15478 B14R0.344 CCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000229938 [0,2,0,0,0,0|2,0,0]=4 15479 B14R0.344 CCCCCCCNC(=O)NCC(C)C 2708a_100000229938_100000210953 [0,2,0,0,0,0|2,0,0]=4 15480 B14R0.344 CCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000229938 [0,2,0,0,0,0|2,0,0]=4 15481 B14R0.344 CCCCCCCNC(=O)NCC(C)C 273464a_100000229938_100000210953 [0,2,0,0,0,0|2,0,0]=4 15482 B14R0.344 CCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000229938 [0,2,0,0,0,0|2,0,0]=4 15483 B14R0.344 CCCCCCCNC(=O)NCC(C)C 512a_100000229938_100000210953 [0,2,0,0,0,0|2,0,0]=4 15484 B14R0.344 CCCCCCCNC(=O)NCC(C)O 2708a_100000229938_100000210904 [0,2,0,0,0,0|2,0,0]=4 15485 B14R0.344 CCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000229938 [0,2,0,0,0,0|2,0,0]=4 15486 B14R0.344 CCCCCCCNC(=O)NCC(C)O 273464a_100000229938_100000210904 [0,2,0,0,0,0|2,0,0]=4 15487 B14R0.344 CCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000229938 [0,2,0,0,0,0|2,0,0]=4 15488 B14R0.344 CCCCCCCNC(=O)NCC(C)O 512a_100000229938_100000210904 [0,2,0,0,0,0|2,0,0]=4 15489 B14R0.344 CCCCCCCNC(=O)NCC(F)F 2708a_100000229938_100000765723 [0,2,0,0,0,0|2,0,0]=4 15490 B14R0.344 CCCCCCCNC(=O)NCC(F)F 273464a_100000229938_100000765723 [0,2,0,0,0,0|2,0,0]=4 15491 B14R0.344 CCCCCCCNC(=O)NCC(F)F 273464a_100000765723_100000229938 [0,2,0,0,0,0|2,0,0]=4 15492 B14R0.344 CCCCCCCNC(=O)NCC(F)F 512a_100000229938_100000765723 [0,2,0,0,0,0|2,0,0]=4 15493 B14R0.344 CCCCCCCNC(=O)NCC(F)F 512a_100000765723_100000229938 [0,2,0,0,0,0|2,0,0]=4 15494 B14R0.344 CCCCCCCNC(=O)NNC(C)C 273464a_100000229938_100000741168 [0,2,0,0,0,0|2,0,0]=4 15495 B14R0.344 CCCCCCCNC(=O)NNC(C)C 512a_100000229938_100000741168 [0,2,0,0,0,0|2,0,0]=4 15496 B14R0.344 CCCCCCCNC(=O)NNC(C)C 512a_100000741168_100000229938 [0,2,0,0,0,0|2,0,0]=4 15497 B14R0.344 CCCCCCNCC(=O)NCC(C)C 2230a_100000210581_100000183291 [0,2,0,0,0,0|2,0,0]=4 15498 B14R0.344 CCCCCCOCC(=O)COC(=O)C 34a_100000210259_100000036994 [0,2,0,0,0,0|1,0,1]=4 15499 B14R0.344 CCCCCCOCC(=O)NCC(C)C 34a_100000210259_100000183291 [0,2,0,0,0,0|2,0,0]=4 15500 B14R0.344 CCCCCCOCC(=O)NCC(C)C 7a_100000210259_100000183291 [0,2,0,0,0,0|2,0,0]=4 15501 B14R0.344 CCCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210757 [0,2,0,0,0,0|1,0,1]=4 15502 B14R0.344 CCCCCCSCC(=O)COC(=O)C 62a_100000210314_100000036994 [0,2,0,0,0,0|1,0,1]=4 15503 B14R0.344 CCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210757 [0,2,0,0,0,0|2,0,0]=4 15504 B14R0.344 CCCCCCSCC(=O)NCC(C)C 62a_100000210314_100000183291 [0,2,0,0,0,0|2,0,0]=4 15505 B14R0.344 CCCCNCCCC(=O)NCC(C)C 2230a_100000102301_100011194448 [0,2,0,0,0,0|2,0,0]=4 15506 B14R0.344 CCCCNCCCC(=O)NCC(C)C 7a_106832991798_100011194448 [0,2,0,0,0,0|2,0,0]=4 15507 B14R0.344 CCCCOCCCC(=O)NCC(C)C 34a_100000210227_100011194448 [0,2,0,0,0,0|2,0,0]=4 15508 B14R0.344 CCCCOCCCC(=O)NCC(C)C 7a_100000210227_100011194448 [0,2,0,0,0,0|2,0,0]=4 15509 B14R0.344 CCCCSCCCC(=O)NCC(C)C 62a_100000210211_100011194448 [0,2,0,0,0,0|2,0,0]=4 15510 B14R0.344 CCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210210 [0,2,0,0,0,0|2,0,0]=4 15511 B14R0.344 CCCCSCCNC(=O)COC(C)C 11a_100025743550_100000745533 [0,2,0,0,0,0|2,0,0]=4 15512 B14R0.344 CCCCSCCNC(=O)COC(C)C 1626a_100025743550_100000745533 [0,2,0,0,0,0|2,0,0]=4 15513 B14R0.344 CCCCSCCNC(=O)COC(C)C 240690a_100025743550_100000745533 [0,2,0,0,0,0|2,0,0]=4 15514 B14R0.344 CCCCSCCNC(=O)COC(C)C 527a_100025743550_100000745533 [0,2,0,0,0,0|2,0,0]=4 15515 B14R0.344 CCCOCCCNC(=O)COC(C)C 1626a_100011217757_100000745533 [0,2,0,0,0,0|2,0,0]=4 15516 B14R0.344 CCCOCCCNC(=O)COC(C)C 240690a_100011217757_100000745533 [0,2,0,0,0,0|2,0,0]=4 15517 B14R0.344 CCCOCCCNC(=O)COC(C)C 527a_100011217757_100000745533 [0,2,0,0,0,0|2,0,0]=4 15518 B14R0.344 CCOCCOCCC(=O)COC(C)C 1458a_100000745533_100011211534 [0,2,0,0,0,0|2,0,0]=4 15519 B14R0.344 COCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100011998445 [0,2,0,0,0,0|2,0,0]=4 15520 B14R0.344 COCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011998445 [0,2,0,0,0,0|2,0,0]=4 15521 B14R0.344 COCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011998445 [0,2,0,0,0,0|2,0,0]=4 15522 B14R0.344 COCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011998445 [0,2,0,0,0,0|1,0,1]=4 15523 B14R0.344 COCCCCCCC(=O)COC(C)C 1458a_100000745533_100011998445 [0,2,0,0,0,0|1,0,0]=3 15524 B14R0.344 COCCCCCCC(=O)COC(F)F 1458a_200000719455_100011998445 [0,2,0,0,0,0|2,0,0]=4 15525 B14R0.344 COCCCCCCC(=O)CSC(C)C 1458a_100000241585_100011998445 [0,2,0,0,0,0|1,1,0]=4 15526 B14R0.344 COCCCCCNC(=O)COC(C)C 11a_100000747528_100000745533 [0,2,0,0,0,0|2,0,0]=4 15527 B14R0.344 COCCCCCNC(=O)COC(C)C 1626a_100000747528_100000745533 [0,2,0,0,0,0|2,0,0]=4 15528 B14R0.344 COCCCCCNC(=O)COC(C)C 240690a_100000747528_100000745533 [0,2,0,0,0,0|2,0,0]=4 15529 B14R0.344 COCCCCCNC(=O)COC(C)C 527a_100000747528_100000745533 [0,2,0,0,0,0|2,0,0]=4 15530 B14R0.344 COCCOCCCC(=O)COC(C)C 1458a_100000745533_100011216529 [0,2,0,0,0,0|2,0,0]=4 15531 B14R0.344 C[S+](C)CCC(=O)CCCCCCCO 1458a_100009452791_100000760002 [0,2,0,0,0,0|2,0,0]=4 15532 B14R0.344 O=C(CCCCCCCO)COC(F)F 1458a_200000719455_100000760002 [0,2,0,0,0,0|2,0,0]=4 15533 B14R0.344 O=C(CCCCCCCO)NCC(F)F 240690a_100000765723_100011219782 [0,2,0,0,0,0|2,0,0]=4 15534 B14R0.529 C#CCCC(=O)CCC(C)CCCCC 1458a_100000034243_100000753159 [0,2,0,0,0,0|1,0,1]=4 15535 B14R0.529 C#CCNC(=O)CCC(C)CCCCC 11a_100000212058_100000034243 [0,2,0,0,0,0|1,0,1]=4 15536 B14R0.529 C#CCNC(=O)CCC(C)CCCCC 1626a_100000212058_100000034243 [0,2,0,0,0,0|1,0,1]=4 15537 B14R0.529 C#CCNC(=O)CCC(C)CCCCC 240690a_100000212058_100000034243 [0,2,0,0,0,0|1,0,1]=4 15538 B14R0.529 C#CCNC(=O)CCC(C)CCCCC 527a_100000212058_100000034243 [0,2,0,0,0,0|1,0,1]=4 15539 B14R0.529 C/C=C/CC(=O)CCC(C)CCCCC 1458a_100000034243_100102629194 [0,2,0,0,0,0|1,0,1]=4 15540 B14R0.529 C=C(COC(C)CCCCC)OCOC 34a_100011215632_100000042856 [0,2,0,0,0,0|2,0,0]=4 15541 B14R0.529 C=C(CSC(C)CCCCC)OCOC 62a_100000042856_200011218191 [0,2,0,0,0,0|2,0,0]=4 15542 B14R0.529 C=C(CSC(C)CCCCC)OCOC 62a_200011218191_100000042856 [0,2,0,0,0,0|2,0,0]=4 15543 B14R0.529 C=CCCC(=O)CCC(C)CCCCC 1458a_100000034243_100000754431 [0,2,0,0,0,0|1,0,1]=4 15544 B14R0.529 C=CCNC(=O)CCC(C)CCCCC 1626a_100020586998_100000034243 [0,2,0,0,0,0|1,0,1]=4 15545 B14R0.529 C=CCNC(=O)CCC(C)CCCCC 240690a_100020586998_100000034243 [0,2,0,0,0,0|1,0,1]=4 15546 B14R0.529 C=CCNC(=O)CCC(C)CCCCC 527a_100020586998_100000034243 [0,2,0,0,0,0|1,0,1]=4 15547 B14R0.529 C=CCOC(=O)CNC(C)CCCCC 2230a_100000211957_100000033060 [0,2,0,0,0,0|1,0,1]=4 15548 B14R0.529 C=CCOC(=O)COC(C)CCCCC 34a_100011215632_100000033060 [0,2,0,0,0,0|1,0,1]=4 15549 B14R0.529 C=CCOC(=O)COC(C)CCCCC 7a_100011215632_100000033060 [0,2,0,0,0,0|1,0,1]=4 15550 B14R0.529 C=CCOC(=O)CSC(C)CCCCC 62a_100000033060_200011218191 [0,2,0,0,0,0|1,0,1]=4 15551 B14R0.529 C=CCOC(=O)CSC(C)CCCCC 62a_200011218191_100000033060 [0,2,0,0,0,0|1,0,1]=4 15552 B14R0.529 CC#CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000748600 [0,2,0,0,0,0|1,0,1]=4 15553 B14R0.529 CC=CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000070051 [0,2,0,0,0,0|1,0,1]=4 15554 B14R0.529 CCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210326 [0,2,0,0,0,0|1,0,1]=4 15555 B14R0.529 CCCCCC(=O)COC(=O)OCCC 1458a_100000212188_200000139673 [0,2,0,0,0,0|1,0,1]=4 15556 B14R0.529 CCCCCC(C)CCC(=O)CCC#N 1458a_100000034243_100011215226 [0,2,0,0,0,0|1,0,1]=4 15557 B14R0.529 CCCCCC(C)CCC(=O)CCCC 1458a_100000034243_100000210211 [0,2,0,0,0,0|1,0,0]=3 15558 B14R0.529 CCCCCC(C)CCC(=O)CCCF 1458a_100000034243_100011934791 [0,2,0,0,0,0|1,0,0]=3 15559 B14R0.529 CCCCCC(C)CCC(=O)CCCO 1458a_100000034243_100011215043 [0,2,0,0,0,0|1,0,0]=3 15560 B14R0.529 CCCCCC(C)CCC(=O)CCOC 1458a_100000034243_100000233755 [0,2,0,0,0,0|1,0,0]=3 15561 B14R0.529 CCCCCC(C)CCC(=O)CCSC 1458a_100000034243_100000751147 [0,2,0,0,0,0|1,0,0]=3 15562 B14R0.529 CCCCCC(C)CCC(=O)NCC#N 1626a_100000734998_100000034243 [0,2,0,0,0,0|1,0,1]=4 15563 B14R0.529 CCCCCC(C)CCC(=O)NCC#N 527a_100000734998_100000034243 [0,2,0,0,0,0|1,0,1]=4 15564 B14R0.529 CCCCCC(C)CCC(=O)NCCC 11a_100020643023_100000034243 [0,2,0,0,0,0|1,0,0]=3 15565 B14R0.529 CCCCCC(C)CCC(=O)NCCC 1626a_100020643023_100000034243 [0,2,0,0,0,0|1,0,0]=3 15566 B14R0.529 CCCCCC(C)CCC(=O)NCCC 240690a_100020643023_100000034243 [0,2,0,0,0,0|1,0,0]=3 15567 B14R0.529 CCCCCC(C)CCC(=O)NCCC 527a_100020643023_100000034243 [0,2,0,0,0,0|1,0,0]=3 15568 B14R0.529 CCCCCC(C)CCC(=O)NCCF 11a_100000724931_100000034243 [0,2,0,0,0,0|1,0,0]=3 15569 B14R0.529 CCCCCC(C)CCC(=O)NCCF 1626a_100000724931_100000034243 [0,2,0,0,0,0|1,0,0]=3 15570 B14R0.529 CCCCCC(C)CCC(=O)NCCF 240690a_100000724931_100000034243 [0,2,0,0,0,0|1,0,0]=3 15571 B14R0.529 CCCCCC(C)CCC(=O)NCCF 527a_100000724931_100000034243 [0,2,0,0,0,0|1,0,0]=3 15572 B14R0.529 CCCCCC(C)CCC(=O)NCCO 240690a_100000210304_100000034243 [0,2,0,0,0,0|1,0,0]=3 15573 B14R0.529 CCCCCC(C)CCC(=O)NCCO 527a_100000210304_100000034243 [0,2,0,0,0,0|1,0,0]=3 15574 B14R0.529 CCCCCC(C)CCC(=O)NNCC 22a_100000756455_100000034243 [0,2,0,0,0,0|1,0,0]=3 15575 B14R0.529 CCCCCC(C)NCC(=O)NCCC 2230a_100000174927_200011218191 [0,2,0,0,0,0|2,0,0]=4 15576 B14R0.529 CCCCCC(C)NCC(=O)NCCC 2230a_100000211957_100000183358 [0,2,0,0,0,0|2,0,0]=4 15577 B14R0.529 CCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100000211708 [0,2,0,0,0,0|2,0,0]=4 15578 B14R0.529 CCCCCC(C)NCC(=O)NCCF 2230a_100000725713_200011218191 [0,2,0,0,0,0|2,0,0]=4 15579 B14R0.529 CCCCCC(C)NCC(=O)NCCF 270004a_100000725713_100000211708 [0,2,0,0,0,0|2,0,0]=4 15580 B14R0.529 CCCCCC(C)NCC(=O)OCCC 2230a_100000211957_200011215008 [0,2,0,0,0,0|1,0,0]=3 15581 B14R0.529 CCCCCC(C)OCC(=O)NCCC 34a_100011215632_100000183358 [0,2,0,0,0,0|2,0,0]=4 15582 B14R0.529 CCCCCC(C)OCC(=O)NCCC 7a_100011215632_100000183358 [0,2,0,0,0,0|2,0,0]=4 15583 B14R0.529 CCCCCC(C)OCC(=O)OCCC 34a_100011215632_200011215008 [0,2,0,0,0,0|1,0,0]=3 15584 B14R0.529 CCCCCC(C)OCC(=O)OCCC 7a_100011215632_200011215008 [0,2,0,0,0,0|1,0,0]=3 15585 B14R0.529 CCCCCC(C)SCC(=O)NCCC 62a_100000183358_200011218191 [0,2,0,0,0,0|2,0,0]=4 15586 B14R0.529 CCCCCC(C)SCC(=O)NCCC 62a_200011218191_100000183358 [0,2,0,0,0,0|2,0,0]=4 15587 B14R0.529 CCCCCC(C)SCC(=O)OCCC 62a_200011215008_200011218191 [0,2,0,0,0,0|1,0,0]=3 15588 B14R0.529 CCCCCC(C)SCC(=O)OCCC 62a_200011218191_200011215008 [0,2,0,0,0,0|1,0,0]=3 15589 B14R0.529 CCCCCN(C)CCC(=O)CCCC 1458a_100016987678_100000210211 [0,2,0,0,0,0|2,0,0]=4 15590 B14R0.529 CCCCCN(C)CCC(=O)CCCF 1458a_100016987678_100011934791 [0,2,0,0,0,0|2,0,0]=4 15591 B14R0.529 CCCCCN(C)CCC(=O)CCCO 1458a_100016987678_100011215043 [0,2,0,0,0,0|2,0,0]=4 15592 B14R0.529 CCCCCN(C)CCC(=O)CCOC 1458a_100016987678_100000233755 [0,2,0,0,0,0|2,0,0]=4 15593 B14R0.529 CCCCCN(C)CCC(=O)CCSC 1458a_100016987678_100000751147 [0,2,0,0,0,0|2,0,0]=4 15594 B14R0.529 CCCCCN(C)CCC(=O)NCCC 240690a_100020643023_100016987678 [0,2,0,0,0,0|2,0,0]=4 15595 B14R0.529 CCCCCN(C)CCC(=O)NCCF 240690a_100000724931_100016987678 [0,2,0,0,0,0|2,0,0]=4 15596 B14R0.529 CCCCCN(C)CCC(=O)NCCO 240690a_100000210304_100016987678 [0,2,0,0,0,0|2,0,0]=4 15597 B14R0.529 CCCCCN(C)CCC(=O)NNCC 22a_100000756455_100016987678 [0,2,0,0,0,0|2,0,0]=4 15598 B14R0.529 CCCCCN(C)COC(=O)OCCC 269982a_100000223495_200000139673 [0,2,0,0,0,0|2,0,0]=4 15599 B14R0.529 CCCOC(=O)COC(C)CCCOC 34a_200011539412_200011215008 [0,2,0,0,0,0|2,0,0]=4 15600 B14R0.529 CCCOC(=O)COC(C)CCCOC 7a_200011539412_200011215008 [0,2,0,0,0,0|2,0,0]=4 15601 B14R0.1095 C#CCCC(=O)C(C)CCCCCCC 1458a_100000692101_200011218727 [0,2,0,0,0,0|1,0,1]=4 15602 B14R0.1095 C=CCCC(=O)C(C)CCCCCCC 1458a_100000749702_200011218727 [0,2,0,0,0,0|1,0,1]=4 15603 B14R0.1095 CC=CCC(=O)C(C)CCCCCCC 1458a_100121576822_200011218727 [0,2,0,0,0,0|1,0,1]=4 15604 B14R0.1095 CCC#CC(=O)C(C)CCCCCCC 1458a_100011827653_200011218727 [0,2,0,0,0,0|1,0,0]=3 15605 B14R0.1095 CCC=CC(=O)C(C)CCCCCCC 1458a_100000212282_200011218727 [0,2,0,0,0,0|1,0,0]=3 15606 B14R0.1095 CCC=CC(=O)N(C)CCCCCCC 11a_100000228206_100000212282 [0,2,0,0,0,0|2,0,0]=4 15607 B14R0.1095 CCC=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000212282 [0,2,0,0,0,0|2,0,0]=4 15608 B14R0.1095 CCC=CC(=O)N(C)CCCCCCC 240690a_100000228206_100000212282 [0,2,0,0,0,0|2,0,0]=4 15609 B14R0.1095 CCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210614 [0,2,0,0,0,0|1,0,1]=4 15610 B14R0.1095 CCCCCCCC(C)C(=O)C#CCO 1458a_100000049017_200011218727 [0,2,0,0,0,0|1,0,1]=4 15611 B14R0.1095 CCCCCCCC(C)C(=O)C=COC 1458a_100016268678_200011218727 [0,2,0,0,0,0|1,0,1]=4 15612 B14R0.1095 CCCCCCCC(C)C(=O)CCC#N 1458a_100011934036_200011218727 [0,2,0,0,0,0|1,0,1]=4 15613 B14R0.1095 CCCCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218727 [0,2,0,0,0,0|1,0,0]=3 15614 B14R0.1095 CCCCCCCC(C)C(=O)CCOC 1458a_100000749529_200011218727 [0,2,0,0,0,0|1,0,0]=3 15615 B14R0.1095 CCCCCCCC(C)C(=O)CCSC 1458a_100000174002_200011218727 [0,2,0,0,0,0|1,0,0]=3 15616 B14R0.1095 CCCCCCCC(C)C(=O)COCC 1458a_100000211967_200011218727 [0,2,0,0,0,0|0,0,0]=2 15617 B14R0.1095 CCCCCCCC(C)C(=O)CSCC 1458a_100000230394_200011218727 [0,2,0,0,0,0|0,1,0]=3 15618 B14R0.1095 CCCCCCCN(C)C(=O)CCCC 11a_100000228206_100000210183 [0,2,0,0,0,0|2,0,0]=4 15619 B14R0.1095 CCCCCCCN(C)C(=O)CCCC 1626a_100000228206_100000210183 [0,2,0,0,0,0|2,0,0]=4 15620 B14R0.1095 CCCCCCCN(C)C(=O)CCCC 240690a_100000228206_100000210183 [0,2,0,0,0,0|2,0,0]=4 15621 B14R0.1095 CCCCCCCN(C)C(=O)CCCC 527a_100000228206_100000210183 [0,2,0,0,0,0|2,0,0]=4 15622 B14R0.1095 CCCCCCCN(C)C(=O)CCOC 11a_100000228206_100000749529 [0,2,0,0,0,0|2,0,0]=4 15623 B14R0.1095 CCCCCCCN(C)C(=O)CCOC 1626a_100000228206_100000749529 [0,2,0,0,0,0|2,0,0]=4 15624 B14R0.1095 CCCCCCCN(C)C(=O)CCOC 240690a_100000228206_100000749529 [0,2,0,0,0,0|2,0,0]=4 15625 B14R0.1095 CCCCCCCN(C)C(=O)CCOC 527a_100000228206_100000749529 [0,2,0,0,0,0|2,0,0]=4 15626 B14R0.1095 CCCCCCCN(C)C(=O)CCSC 11a_100000228206_100000174002 [0,2,0,0,0,0|2,0,0]=4 15627 B14R0.1095 CCCCCCCN(C)C(=O)CCSC 1626a_100000228206_100000174002 [0,2,0,0,0,0|2,0,0]=4 15628 B14R0.1095 CCCCCCCN(C)C(=O)CCSC 240690a_100000228206_100000174002 [0,2,0,0,0,0|2,0,0]=4 15629 B14R0.1095 CCCCCCCN(C)C(=O)CCSC 527a_100000228206_100000174002 [0,2,0,0,0,0|2,0,0]=4 15630 B14R0.1095 CCCCCCCN(C)C(=O)COCC 11a_100000228206_100000211967 [0,2,0,0,0,0|1,0,0]=3 15631 B14R0.1095 CCCCCCCN(C)C(=O)COCC 1626a_100000228206_100000211967 [0,2,0,0,0,0|1,0,0]=3 15632 B14R0.1095 CCCCCCCN(C)C(=O)COCC 240690a_100000228206_100000211967 [0,2,0,0,0,0|1,0,0]=3 15633 B14R0.1095 CCCCCCCN(C)C(=O)COCC 527a_100000228206_100000211967 [0,2,0,0,0,0|1,0,0]=3 15634 B14R0.1095 CCCCCCCN(C)C(=O)CSCC 11a_100000228206_100000230394 [0,2,0,0,0,0|1,1,0]=4 15635 B14R0.1095 CCCCCCCN(C)C(=O)CSCC 1626a_100000228206_100000230394 [0,2,0,0,0,0|1,1,0]=4 15636 B14R0.1095 CCCCCCCN(C)C(=O)CSCC 240690a_100000228206_100000230394 [0,2,0,0,0,0|1,1,0]=4 15637 B14R0.1095 CCCCCCCN(C)C(=O)CSCC 527a_100000228206_100000230394 [0,2,0,0,0,0|1,1,0]=4 15638 B14R0.1095 CCCCCCCN(C)C(=O)NCCC 2708a_100020643023_100000228206 [0,2,0,0,0,0|2,0,0]=4 15639 B14R0.1095 CCCCCCCN(C)C(=O)NCCC 273464a_100020643023_100000228206 [0,2,0,0,0,0|2,0,0]=4 15640 B14R0.1095 CCCCCCCN(C)C(=O)NCCF 273464a_100000724931_100000228206 [0,2,0,0,0,0|2,0,0]=4 15641 B14R0.1095 CCCCCCCN(C)C(=O)NCCO 273464a_100000210304_100000228206 [0,2,0,0,0,0|2,0,0]=4 15642 B14R0.1095 CCCCCCNC(C)C(=O)NCCC 2230a_100000210581_100000230305 [0,2,0,0,0,0|2,0,0]=4 15643 B14R0.1095 CCCCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210314 [0,2,0,0,0,0|2,0,0]=4 15644 B14R0.1095 CCCCCCNC(C)C(=O)NCCC 34a_100025744714_100000210314 [0,2,0,0,0,0|2,0,0]=4 15645 B14R0.1095 CCCCCCNC(C)C(=O)OCCC 2230a_100000210581_100000760410 [0,2,0,0,0,0|1,0,0]=3 15646 B14R0.1095 CCCCCCOC(C)C(=O)NCCC 34a_100000210259_100000230305 [0,2,0,0,0,0|2,0,0]=4 15647 B14R0.1095 CCCCCCOC(C)C(=O)NCCC 7a_100000210259_100000230305 [0,2,0,0,0,0|2,0,0]=4 15648 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 34a_100000037348_100000210314 [0,2,0,0,0,0|1,0,0]=3 15649 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 34a_100000210259_100000760410 [0,2,0,0,0,0|1,0,0]=3 15650 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210314 [0,2,0,0,0,0|1,0,0]=3 15651 B14R0.1095 CCCCCCOC(C)C(=O)OCCC 7a_100000210259_100000760410 [0,2,0,0,0,0|1,0,0]=3 15652 B14R0.1095 CCCCCCSC(C)C(=O)NCCC 62a_100000210314_100000230305 [0,2,0,0,0,0|2,0,0]=4 15653 B14R0.1095 CCCCCCSC(C)C(=O)NCCC 62a_100000230305_100000210757 [0,2,0,0,0,0|2,0,0]=4 15654 B14R0.1095 CCCCCCSC(C)C(=O)OCCC 62a_100000210314_100000760410 [0,2,0,0,0,0|1,0,0]=3 15655 B14R0.1095 CCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210757 [0,2,0,0,0,0|1,0,0]=3 15656 B14R0.1095 CCCCOCOC(C)C(=O)OCCC 34a_100000037348_100011995733 [0,2,0,0,0,0|2,0,0]=4 15657 B14R0.1095 CCCCOCSC(C)C(=O)OCCC 62a_100000760410_100011995733 [0,2,0,0,0,0|2,0,0]=4 15658 B14R0.1095 CCCCOCSC(C)C(=O)OCCC 62a_100011995733_100000760410 [0,2,0,0,0,0|2,0,0]=4 15659 B14R0.1095 CCCOC(=O)C(C)NCCCCCO 2230a_100000762737_100000760410 [0,2,0,0,0,0|2,0,0]=4 15660 B14R0.1095 CCCOC(=O)C(C)NCCCCCO 34a_100000762737_100000760410 [0,2,0,0,0,0|2,0,0]=4 15661 B14R0.1095 CCCOC(=O)C(C)NCCCOCC 2230a_100000210961_100000760410 [0,2,0,0,0,0|2,0,0]=4 15662 B14R0.1095 CCCOC(=O)C(C)NCCCOCC 34a_100000210961_100000760410 [0,2,0,0,0,0|2,0,0]=4 15663 B14R0.1095 CCCOC(=O)C(C)NCCSCCC 2230a_100020603323_100000760410 [0,2,0,0,0,0|2,0,0]=4 15664 B14R0.1095 CCCOC(=O)C(C)OCCCCCBr 34a_100000746331_100000760410 [0,2,0,0,0,0|2,0,0]=4 15665 B14R0.1095 CCCOC(=O)C(C)OCCCCCBr 7a_100000746331_100000760410 [0,2,0,0,0,0|2,0,0]=4 15666 B14R0.1095 CCCOC(=O)C(C)OCCCCCCl 34a_100000746330_100000760410 [0,2,0,0,0,0|2,0,0]=4 15667 B14R0.1095 CCCOC(=O)C(C)OCCCCCCl 7a_100000746330_100000760410 [0,2,0,0,0,0|2,0,0]=4 15668 B14R0.1095 CCCOC(=O)C(C)OCCCCCF 34a_100000037348_100000729378 [0,2,0,0,0,0|2,0,0]=4 15669 B14R0.1095 CCCOC(=O)C(C)OCCCCCF 7a_100000037348_100000729378 [0,2,0,0,0,0|2,0,0]=4 15670 B14R0.1095 CCCOC(=O)C(C)OCCCCCI 34a_200012148887_100000760410 [0,2,0,0,0,0|2,0,0]=4 15671 B14R0.1095 CCCOC(=O)C(C)OCCCCCI 7a_200012148887_100000760410 [0,2,0,0,0,0|2,0,0]=4 15672 B14R0.1095 CCCOC(=O)C(C)OCCCCCN 34a_100000762737_100000760410 [0,2,0,0,0,0|2,0,0]=4 15673 B14R0.1095 CCCOC(=O)C(C)OCCCCCO 34a_100000037348_100000746330 [0,2,0,0,0,0|2,0,0]=4 15674 B14R0.1095 CCCOC(=O)C(C)OCCCCCO 7a_100000037348_100000746330 [0,2,0,0,0,0|2,0,0]=4 15675 B14R0.1095 CCCOC(=O)C(C)OCCCCOC 34a_100000037348_100000755781 [0,2,0,0,0,0|2,0,0]=4 15676 B14R0.1095 CCCOC(=O)C(C)OCCCCOC 34a_100000740925_100000760410 [0,2,0,0,0,0|2,0,0]=4 15677 B14R0.1095 CCCOC(=O)C(C)OCCCCOC 7a_100000037348_100000730899 [0,2,0,0,0,0|2,0,0]=4 15678 B14R0.1095 CCCOC(=O)C(C)OCCCCSC 34a_100011217163_100000760410 [0,2,0,0,0,0|2,0,0]=4 15679 B14R0.1095 CCCOC(=O)C(C)OCCCCSC 7a_100011217163_100000760410 [0,2,0,0,0,0|2,0,0]=4 15680 B14R0.1095 CCCOC(=O)C(C)OCCCOCC 34a_100000037348_100012232248 [0,2,0,0,0,0|2,0,0]=4 15681 B14R0.1095 CCCOC(=O)C(C)OCCCOCC 34a_100000757476_100000760410 [0,2,0,0,0,0|2,0,0]=4 15682 B14R0.1095 CCCOC(=O)C(C)OCCCOCC 7a_100000037348_100012232248 [0,2,0,0,0,0|2,0,0]=4 15683 B14R0.1095 CCCOC(=O)C(C)OCCCOCC 7a_100000757476_100000760410 [0,2,0,0,0,0|2,0,0]=4 15684 B14R0.1095 CCCOC(=O)C(C)OCCCSCC 34a_100011216438_100000760410 [0,2,0,0,0,0|2,0,0]=4 15685 B14R0.1095 CCCOC(=O)C(C)OCCCSCC 7a_100011216438_100000760410 [0,2,0,0,0,0|2,0,0]=4 15686 B14R0.1095 CCCOC(=O)C(C)OCCSCCC 34a_200000230433_100000760410 [0,2,0,0,0,0|2,0,0]=4 15687 B14R0.1095 CCCOC(=O)C(C)OCCSCCC 7a_200000230433_100000760410 [0,2,0,0,0,0|2,0,0]=4 15688 B14R0.1095 CCCOC(=O)C(C)SCCCCCF 62a_100000729378_100000760410 [0,2,0,0,0,0|2,0,0]=4 15689 B14R0.1095 CCCOC(=O)C(C)SCCCCCF 62a_100000760410_100000729378 [0,2,0,0,0,0|2,0,0]=4 15690 B14R0.1095 CCCOC(=O)C(C)SCCCCCO 62a_100000746330_100000760410 [0,2,0,0,0,0|2,0,0]=4 15691 B14R0.1095 CCCOC(=O)C(C)SCCCCCO 62a_100000760410_100000746330 [0,2,0,0,0,0|2,0,0]=4 15692 B14R0.1095 CCCOC(=O)C(C)SCCCCOC 62a_100000730899_100000760410 [0,2,0,0,0,0|2,0,0]=4 15693 B14R0.1095 CCCOC(=O)C(C)SCCCCOC 62a_100000760410_100000730899 [0,2,0,0,0,0|2,0,0]=4 15694 B14R0.1095 CCCOC(=O)C(C)SCCCOCC 62a_100000760410_100012232248 [0,2,0,0,0,0|2,0,0]=4 15695 B14R0.1095 CCCOC(=O)C(C)SCCCOCC 62a_100012232248_100000760410 [0,2,0,0,0,0|2,0,0]=4 15696 B14R0.1095 CCCOCCNC(C)C(=O)OCCC 2230a_100161115042_100000760410 [0,2,0,0,0,0|2,0,0]=4 15697 B14R0.1095 CCCOCCNC(C)C(=O)OCCC 34a_100161115042_100000760410 [0,2,0,0,0,0|2,0,0]=4 15698 B14R0.1095 CCCOCCOC(C)C(=O)OCCC 34a_100000037348_100011215938 [0,2,0,0,0,0|2,0,0]=4 15699 B14R0.1095 CCCOCCOC(C)C(=O)OCCC 34a_100000752267_100000760410 [0,2,0,0,0,0|2,0,0]=4 15700 B14R0.1095 CCCOCCOC(C)C(=O)OCCC 7a_100000037348_100011215938 [0,2,0,0,0,0|2,0,0]=4 15701 B14R0.1095 CCCOCCOC(C)C(=O)OCCC 7a_100000752267_100000760410 [0,2,0,0,0,0|2,0,0]=4 15702 B14R0.1095 CCCOCCSC(C)C(=O)OCCC 62a_100000760410_100011215938 [0,2,0,0,0,0|2,0,0]=4 15703 B14R0.1095 CCCOCCSC(C)C(=O)OCCC 62a_100011215938_100000760410 [0,2,0,0,0,0|2,0,0]=4 15704 B14R0.2489 CCCCCCCCS(=O)(=O)NCCC 270084a_100020643023_100011218563 [0,2,0,0,0,0|2,0,0]=4 15705 B14R0.2489 CCCCCCCCS(=O)(=O)NCCC 274078a_100020643023_100011218563 [0,2,0,0,0,0|2,0,0]=4 15706 B14R0.2489 CCCCCCCCS(=O)(=O)NCCF 270084a_100000724931_100011218563 [0,2,0,0,0,0|2,0,0]=4 15707 B14R0.2489 CCCCCCCCS(=O)(=O)NCCF 274078a_100000724931_100011218563 [0,2,0,0,0,0|2,0,0]=4 15708 B14R0.2489 CCCCCCCCS(=O)(=O)NCCO 270084a_100000210304_100011218563 [0,2,0,0,0,0|2,0,0]=4 15709 B14R0.2489 CCCCCCCCS(=O)(=O)NCCO 274078a_100000210304_100011218563 [0,2,0,0,0,0|2,0,0]=4 15710 B14R0.35 C=C(C)C(=O)CCCCCC(=O)OCC 1458a_100000185857_100000755133 [0,2,0,0,0,0|0,0,2]=4 15711 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)C 1458a_100000037472_100000210206 [0,2,0,0,0,0|0,0,1]=3 15712 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)C 1458a_100000210198_100000755133 [0,2,0,0,0,0|0,0,1]=3 15713 B14R0.35 CCOC(=O)CCCCCC(=O)C(C)F 1458a_100000062450_100000755133 [0,2,0,0,0,0|0,0,1]=3 15714 B14R0.35 CCOC(=O)CCCCCC(=O)C(O)O 1458a_100000233687_100000755133 [0,2,0,0,0,0|1,0,1]=4 15715 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 11a_100102631434_100000037472 [0,2,0,0,0,0|1,0,1]=4 15716 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 1626a_100102631434_100000037472 [0,2,0,0,0,0|1,0,1]=4 15717 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 240690a_100102631434_100000037472 [0,2,0,0,0,0|1,0,1]=4 15718 B14R0.35 CCOC(=O)CCCCCC(=O)N(C)C 527a_100102631434_100000037472 [0,2,0,0,0,0|1,0,1]=4 15719 B14R0.35 CCOC(=O)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755133 [0,2,0,0,0,0|0,0,1]=3 15720 B14R0.35 CCOC(=O)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755133 [0,2,0,0,0,0|0,0,1]=3 15721 B14R0.35 CCOC(=O)CCCCCN(C)C(C)C 269982a_200000211004_100000755133 [0,2,0,0,0,0|1,0,0]=3 15722 B14R0.35 CCOC(=O)CCCCNC(=O)C(C)C 188690a_100000718961_100000210198 [0,2,0,0,0,0|1,0,1]=4 15723 B14R0.35 CCOC(=O)CCCCNC(=O)C(C)F 188690a_100000718961_100000062450 [0,2,0,0,0,0|1,0,1]=4 15724 B14R0.35 CCOC(=O)CCCCNC(=O)[C@@H](C)O 188690a_100000718961_100000717761 [0,2,0,0,0,0|1,0,1]=4 15725 B14R0.35 CCOC(=O)CCCCNC(=O)[C@H](C)O 188690a_100000718961_217856618621 [0,2,0,0,0,0|1,0,1]=4 15726 B14R0.35 CCOC(=O)CCCCNC(C)C(C)C 2230a_100000211541_100000750268 [0,2,0,0,0,0|1,0,0]=3 15727 B14R0.35 CCOC(=O)CCCCOC(C)C(=O)C 34a_100000212229_100000750268 [0,2,0,0,0,0|1,0,1]=4 15728 B14R0.35 CCOC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000750268 [0,2,0,0,0,0|1,0,0]=3 15729 B14R0.35 CCOC(=O)CCCCSC(C)C(=O)C 62a_100000750268_100009814033 [0,2,0,0,0,0|1,0,1]=4 15730 B14R0.35 CCOC(=O)CCCCSC(C)C(=O)C 62a_100009814033_100000750268 [0,2,0,0,0,0|1,0,1]=4 15731 B14R0.35 CCOC(=O)CCCNCC(O)C(C)C 2230a_100000759067_100009991533 [0,2,0,0,0,0|1,0,0]=3 15732 B14R0.35 CCOC(=O)CCCNCC(O)C(C)C 34a_100000759067_100009991533 [0,2,0,0,0,0|1,0,0]=3 15733 B14R0.35 CCOC(=O)CCCOCC(=O)C(C)C 7a_100012001163_100000753385 [0,2,0,0,0,0|1,0,1]=4 15734 B14R0.35 CCOC(=O)CCCOCC(C)C(=O)C 34a_100000032740_100009991533 [0,2,0,0,0,0|1,0,1]=4 15735 B14R0.35 CCOC(=O)CCCOCC(C)C(=O)C 7a_100000032740_100011215271 [0,2,0,0,0,0|1,0,1]=4 15736 B14R0.35 CCOC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100009991533 [0,2,0,0,0,0|1,0,0]=3 15737 B14R0.35 CCOC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100009991533 [0,2,0,0,0,0|1,0,1]=4 15738 B14R0.35 CCOC(=O)CCCSCC(=O)C(C)C 62a_100009991533_100000753385 [0,2,0,0,0,0|1,0,1]=4 15739 B14R0.35 CCOC(=O)CCOCCC(N)C(C)C 34a_100161115045_100000765890 [0,2,0,0,0,0|1,0,0]=3 15740 B14R0.35 CCOC(=O)COCCCC(=O)C(C)C 1458a_100000210198_100009893628 [0,2,0,0,0,0|1,0,1]=4 15741 B14R0.35 CCOC(=O)COCCCC(=O)C(C)F 1458a_100000062450_100009893628 [0,2,0,0,0,0|1,0,1]=4 15742 B14R0.35 CCOC(=O)COCCCC(=O)[C@@H](C)O 1458a_100000717761_100009893628 [0,2,0,0,0,0|1,0,1]=4 15743 B14R0.35 CCOC(=O)COCCCC(=O)[C@H](C)O 1458a_217856618621_100009893628 [0,2,0,0,0,0|1,0,1]=4 15744 B14R0.35 CCOC(=O)COCCCN(C)C(C)C 269982a_200000211004_100009893628 [0,2,0,0,0,0|2,0,0]=4 15745 B14R0.35 CCOC(=O)COCCNC(C)C(C)C 2230a_100000211541_100000088970 [0,2,0,0,0,0|2,0,0]=4 15746 B14R0.35 CCOC(=O)COCCOC(C)C(C)C 7a_100000748068_100000088970 [0,2,0,0,0,0|2,0,0]=4 15747 B14R0.120 CCCC(C)CCOCC(=O)N(C)CC 34a_100011217855_100000738999 [0,2,0,0,0,0|2,0,0]=4 15748 B14R0.120 CCCC(C)CCOCC(=O)N(C)CC 7a_100011217855_100000738999 [0,2,0,0,0,0|2,0,0]=4 15749 B14R0.120 CCC[C@H](N)CCOCC(=O)N(C)CC 34a_100015193777_100000738999 [0,2,0,0,0,0|2,0,0]=4 15750 B14R0.120 CCOC(=O)CCCCC(=O)C(C)CC 1458a_100011192722_100000750268 [0,2,0,0,0,0|0,0,1]=3 15751 B14R0.120 CCOC(=O)CCCCC(=O)C(C)CC 1458a_100011217402_100000758301 [0,2,0,0,0,0|0,0,1]=3 15752 B14R0.120 CCOC(=O)CCCCC(=O)C(C)OC 1458a_100000743197_100000750268 [0,2,0,0,0,0|1,0,1]=4 15753 B14R0.120 CCOC(=O)CCCCC(=O)C(C)SC 1458a_100000149566_100000750268 [0,2,0,0,0,0|1,0,1]=4 15754 B14R0.120 CCOC(=O)CCCCC(=O)C(O)CC 1458a_100011196387_100000750268 [0,2,0,0,0,0|0,0,1]=3 15755 B14R0.120 CCOC(=O)CCCCC(=O)C(O)CO 1458a_100011215603_100000750268 [0,2,0,0,0,0|1,0,1]=4 15756 B14R0.120 CCOC(=O)CCCCC(=O)N(C)CC 11a_100000225621_100011217402 [0,2,0,0,0,0|1,0,1]=4 15757 B14R0.120 CCOC(=O)CCCCC(=O)N(C)CC 1626a_100000225621_100011217402 [0,2,0,0,0,0|1,0,1]=4 15758 B14R0.120 CCOC(=O)CCCCC(=O)N(C)CC 240690a_100000225621_100011217402 [0,2,0,0,0,0|1,0,1]=4 15759 B14R0.120 CCOC(=O)CCCCC(=O)N(C)CC 527a_100000225621_100011217402 [0,2,0,0,0,0|1,0,1]=4 15760 B14R0.120 CCOC(=O)CCCCN(C)C(C)CC 2230a_100000741768_100000750268 [0,2,0,0,0,0|1,0,0]=3 15761 B14R0.120 CCOC(=O)CCCCN(C)C(C)CC 269982a_100000741768_100000750268 [0,2,0,0,0,0|1,0,0]=3 15762 B14R0.120 CCOC(=O)CCCCN(C)C(C)CO 2230a_100000693034_100000750268 [0,2,0,0,0,0|2,0,0]=4 15763 B14R0.120 CCOC(=O)CCCCN(C)C(C)CO 269982a_100000693034_100000750268 [0,2,0,0,0,0|2,0,0]=4 15764 B14R0.120 CCOC(=O)CCCNC(=O)C(C)CC 188690a_100000211256_100011192722 [0,2,0,0,0,0|1,0,1]=4 15765 B14R0.120 CCOC(=O)CCCNC(=O)C(O)CC 188690a_100000211256_100011196387 [0,2,0,0,0,0|1,0,1]=4 15766 B14R0.120 CCOC(=O)CCCOC(C)C(=O)CC 7a_100012001163_100000742827 [0,2,0,0,0,0|1,0,1]=4 15767 B14R0.120 CCOC(=O)CCCOC(C)C(C)CC 7a_100011215189_100011215271 [0,2,0,0,0,0|1,0,0]=3 15768 B14R0.120 CCOC(=O)CCCSC(C)C(=O)CC 62a_100000742827_100009991533 [0,2,0,0,0,0|1,0,1]=4 15769 B14R0.120 CCOC(=O)CCCSC(C)C(=O)CC 62a_100009991533_100000742827 [0,2,0,0,0,0|1,0,1]=4 15770 B14R0.120 CCOC(=O)CCOCC(C)N(C)CC 7a_100000732741_100011206558 [0,2,0,0,0,0|2,0,0]=4 15771 B14R0.120 CCOC(=O)COCCC(=O)C(C)CC 1458a_100011192722_100000088970 [0,2,0,0,0,0|1,0,1]=4 15772 B14R0.120 CCOC(=O)COCCC(=O)C(O)CC 1458a_100011196387_100000088970 [0,2,0,0,0,0|1,0,1]=4 15773 B14R0.120 CCOC(=O)COCCN(C)C(C)CC 2230a_100000741768_100000088970 [0,2,0,0,0,0|2,0,0]=4 15774 B14R0.120 CCOC(=O)COCCN(C)C(C)CC 269982a_100000741768_100000088970 [0,2,0,0,0,0|2,0,0]=4 15775 B14R0.120 CCOC(=O)NCCOC(C)C(C)CC 7a_100011215189_200011445536 [0,2,0,0,0,0|2,0,0]=4 15776 B14R0.249 CCC(C)CCCOCC(=O)N(C)CC 7a_100011216074_100000738999 [0,2,0,0,0,0|2,0,0]=4 15777 B14R0.309 CC(C)OC(=O)CCCCCC(=O)CO 1458a_100000210174_200010986244 [0,2,0,0,0,0|1,0,1]=4 15778 B14R0.309 CC(C)OC(=O)COCCC[C@@H](C)CN 34a_100160569302_100011215430 [0,2,0,0,0,0|2,0,0]=4 15779 B14R0.309 CC(CO)CCNCCC(=O)OC(C)C 2230a_106354213184_100000760027 [0,2,0,0,0,0|2,0,0]=4 15780 B14R0.309 CCC(=O)CCCCCC(=O)OC(C)C 1458a_100000210414_200010986244 [0,2,0,0,0,0|0,0,1]=3 15781 B14R0.309 CCC(C)CCCOCC(=O)NC(C)C 7a_100011216074_100000183996 [0,2,0,0,0,0|2,0,0]=4 15782 B14R0.309 CCC(C)CCCOCC(=O)OC(C)C 7a_100011216074_100011215430 [0,2,0,0,0,0|1,0,0]=3 15783 B14R0.309 CCC(C)CCNCCC(=O)NC(C)C 2230a_100020591266_100000737564 [0,2,0,0,0,0|2,0,0]=4 15784 B14R0.309 CCC(C)CCNCCC(=O)OC(C)C 2230a_100020591266_100000760027 [0,2,0,0,0,0|1,0,0]=3 15785 B14R0.309 CCC(C)CCOCCC(=O)NC(C)C 7a_100011215188_100000737564 [0,2,0,0,0,0|2,0,0]=4 15786 B14R0.309 CCC(C)CCOCCC(=O)OC(C)C 7a_100011215188_100000760027 [0,2,0,0,0,0|1,0,0]=3 15787 B14R0.309 CCN(C)CCCCCC(=O)OC(C)C 2230a_100000225621_200010986244 [0,2,0,0,0,0|1,0,0]=3 15788 B14R0.309 CCN(C)CCCCCC(=O)OC(C)C 269982a_100000225621_200010986244 [0,2,0,0,0,0|1,0,0]=3 15789 B14R0.309 CCN(C)CCCSCC(=O)OC(C)C 62a_100011215430_100015186262 [0,2,0,0,0,0|2,0,0]=4 15790 B14R0.309 COC(C)CCOCCC(=O)OC(C)C 7a_100000764861_100000760027 [0,2,0,0,0,0|2,0,0]=4 15791 B14R0.310 C=C(COCCC(C)CC)C(=O)OCC 7a_100011215188_100000755967 [0,2,0,0,0,0|1,0,1]=4 15792 B14R0.310 CCNC(=O)C(C)OCCCC(C)CC 7a_100011216074_100000230173 [0,2,0,0,0,0|2,0,0]=4 15793 B14R0.310 CCOC(=O)C(C)OCCCC(C)CC 7a_100011216074_100011216346 [0,2,0,0,0,0|1,0,0]=3 15794 B14R0.310 CCOC(=O)C(C)OCCC[C@@H](C)CN 34a_100160569302_100011216346 [0,2,0,0,0,0|2,0,0]=4 15795 B14R0.310 CCOC(=O)C(C)SCCCN(C)CC 62a_100011216346_100015186262 [0,2,0,0,0,0|2,0,0]=4 15796 B14R0.310 CCOC(=O)C(F)OCCCC(C)CC 7a_100011216074_100000040065 [0,2,0,0,0,0|1,0,0]=3 15797 B14R0.310 CCOC(=O)C(F)OCCC[C@@H](C)CN 34a_100160569302_100000760018 [0,2,0,0,0,0|2,0,0]=4 15798 B14R0.310 CCOC(=O)C(F)SCCCN(C)CC 62a_100000760018_100015186262 [0,2,0,0,0,0|2,0,0]=4 15799 B14R0.310 CCOC(=O)[C@H](C)OCCCN(C)CC 7a_100000751109_100015186262 [0,2,0,0,0,0|2,0,0]=4 15800 B14R0.409 CCNC(=O)CCCC(=O)CC(C)CC 1458a_100000199580_100000748023 [0,2,0,0,0,0|1,0,1]=4 15801 B14R0.409 CCNC(=O)CCCC(=O)CC(O)CC 1458a_100000199580_100011218378 [0,2,0,0,0,0|1,0,1]=4 15802 B14R0.409 CCNC(=O)CCCC(=O)C[C@@H](C)CC 1458a_100000199580_100009816398 [0,2,0,0,0,0|1,0,1]=4 15803 B14R0.409 CCNC(=O)CCNC(C)CC(C)CC 2230a_100000763565_100000737597 [0,2,0,0,0,0|2,0,0]=4 15804 B14R0.409 CCNC(=O)CCNC(C)CC(C)CC 270004a_100025743525_100011710205 [0,2,0,0,0,0|2,0,0]=4 15805 B14R0.409 CCOC(=O)CCCC(=O)CC(=O)CC 1458a_100000210991_100000747405 [0,2,0,0,0,0|0,0,2]=4 15806 B14R0.409 CCOC(=O)CCCC(=O)CC(C)CC 1458a_100000210991_100000748023 [0,2,0,0,0,0|0,0,1]=3 15807 B14R0.409 CCOC(=O)CCCC(=O)CC(C)CC 1458a_100000708755_100011215271 [0,2,0,0,0,0|0,0,1]=3 15808 B14R0.409 CCOC(=O)CCCC(=O)CC(O)CC 1458a_100000210991_100011218378 [0,2,0,0,0,0|0,0,1]=3 15809 B14R0.409 CCOC(=O)CCCC(=O)CC(O)CC 1458a_100011667805_100011215271 [0,2,0,0,0,0|0,0,1]=3 15810 B14R0.409 CCOC(=O)CCCC(=O)CN(C)CC 1458a_100116209913_100011215271 [0,2,0,0,0,0|1,0,1]=4 15811 B14R0.409 CCOC(=O)CCCC(=O)C[C@@H](C)CC 1458a_100000210991_100009816398 [0,2,0,0,0,0|0,0,1]=3 15812 B14R0.409 CCOC(=O)CCCC(=O)C[C@@H](C)CO 1458a_100000210991_100000059175 [0,2,0,0,0,0|1,0,1]=4 15813 B14R0.409 CCOC(=O)CCCC(=O)NC(C)CC 11a_100000209981_100000210991 [0,2,0,0,0,0|1,0,1]=4 15814 B14R0.409 CCOC(=O)CCCC(=O)NC(C)CC 1626a_100000209981_100000210991 [0,2,0,0,0,0|1,0,1]=4 15815 B14R0.409 CCOC(=O)CCCC(=O)NC(C)CC 240690a_100000209981_100000210991 [0,2,0,0,0,0|1,0,1]=4 15816 B14R0.409 CCOC(=O)CCCC(=O)NC(C)CC 527a_100000209981_100000210991 [0,2,0,0,0,0|1,0,1]=4 15817 B14R0.409 CCOC(=O)CCCN(C)CC(C)CC 2230a_100000753921_100009991533 [0,2,0,0,0,0|1,0,0]=3 15818 B14R0.409 CCOC(=O)CCCN(C)CC(C)CC 269982a_100000753921_100009991533 [0,2,0,0,0,0|1,0,0]=3 15819 B14R0.409 CCOC(=O)CCCN(C)CC(O)CO 2230a_100011216503_100009991533 [0,2,0,0,0,0|2,0,0]=4 15820 B14R0.409 CCOC(=O)CCCN(C)CC(O)CO 269982a_100011216503_100009991533 [0,2,0,0,0,0|2,0,0]=4 15821 B14R0.409 CCOC(=O)CCNC(=O)CC(C)CC 188690a_100000746078_100000708755 [0,2,0,0,0,0|1,0,1]=4 15822 B14R0.409 CCOC(=O)CCNC(=O)CC(O)CC 188690a_100000746078_100011667805 [0,2,0,0,0,0|1,0,1]=4 15823 B14R0.409 CCOC(=O)CCNC(C)CC(C)CC 2230a_100000763565_100011206558 [0,2,0,0,0,0|1,0,0]=3 15824 B14R0.409 CCOC(=O)NCCC(=O)CC(C)CC 1458a_100000708755_200011445536 [0,2,0,0,0,0|1,0,1]=4 15825 B14R0.409 CCOC(=O)NCCC(=O)CC(O)CC 1458a_100011667805_200011445536 [0,2,0,0,0,0|1,0,1]=4 15826 B14R0.409 CCOC(=O)NCCN(C)CC(C)CC 269982a_100000753921_200011445536 [0,2,0,0,0,0|2,0,0]=4 15827 B14R0.513 C#CC(CC)OCCCCC(=O)OCC 34a_100000758843_100000750268 [0,2,0,0,0,0|1,0,0]=3 15828 B14R0.513 C#CC(CC)OCCCCC(=O)OCC 7a_100000758843_100000750268 [0,2,0,0,0,0|1,0,0]=3 15829 B14R0.513 C#CC(CC)OCCOCC(=O)OCC 34a_100000758843_100000088970 [0,2,0,0,0,0|2,0,0]=4 15830 B14R0.513 C#CC(CC)OCCOCC(=O)OCC 7a_100000758843_100000088970 [0,2,0,0,0,0|2,0,0]=4 15831 B14R0.513 C=CC(CC)OCCCCC(=O)OCC 34a_100000766422_100000750268 [0,2,0,0,0,0|1,0,0]=3 15832 B14R0.513 C=CC(CC)OCCCCC(=O)OCC 7a_100000766422_100000750268 [0,2,0,0,0,0|1,0,0]=3 15833 B14R0.513 C=CC(CC)OCCOCC(=O)OCC 34a_100000766422_100000088970 [0,2,0,0,0,0|2,0,0]=4 15834 B14R0.513 C=CC(CC)OCCOCC(=O)OCC 7a_100000766422_100000088970 [0,2,0,0,0,0|2,0,0]=4 15835 B14R0.513 C=C[C@@H](CO)NCCCCC(=O)OCC 2230a_100016989147_100000750268 [0,2,0,0,0,0|2,0,0]=4 15836 B14R0.513 C=C[C@@H](CO)NCCCCC(=O)OCC 34a_100016989147_100000750268 [0,2,0,0,0,0|2,0,0]=4 15837 B14R0.513 CCOC(=O)CCCCCN(CC)CC 2230a_100000724800_100000755133 [0,2,0,0,0,0|1,0,0]=3 15838 B14R0.513 CCOC(=O)CCCCCN(CC)CC 269956a_100000042499_100000755133 [0,2,0,0,0,0|1,0,0]=3 15839 B14R0.513 CCOC(=O)CCCCCN(CC)CC 269982a_100000724800_100000755133 [0,2,0,0,0,0|1,0,0]=3 15840 B14R0.513 CCOC(=O)CCCCNC(CC)CC 2230a_100000199018_100000750268 [0,2,0,0,0,0|1,0,0]=3 15841 B14R0.513 CCOC(=O)CCCCNC(CO)CO 2230a_100000759517_100000750268 [0,2,0,0,0,0|2,0,0]=4 15842 B14R0.513 CCOC(=O)CCCCN[C@@H](CC)CO 2230a_100000709445_100000750268 [0,2,0,0,0,0|1,0,0]=3 15843 B14R0.513 CCOC(=O)CCCCOC(CC)CC 7a_100000688536_100000750268 [0,2,0,0,0,0|1,0,0]=3 15844 B14R0.513 CCOC(=O)CCCCOC(CCl)CCl 7a_100000737055_100000750268 [0,2,0,0,0,0|2,0,0]=4 15845 B14R0.513 CCOC(=O)CCCCOC(CF)CF 34a_100000032261_100000750268 [0,2,0,0,0,0|2,0,0]=4 15846 B14R0.513 CCOC(=O)CCCCOC(CF)CF 7a_100000032261_100000750268 [0,2,0,0,0,0|2,0,0]=4 15847 B14R0.513 CCOC(=O)CCCCOC(CN)CN 34a_100000031598_100000750268 [0,2,0,0,0,0|2,0,0]=4 15848 B14R0.513 CCOC(=O)CCCCO[C@@H](CF)CCl 34a_100015614560_100000750268 [0,2,0,0,0,0|2,0,0]=4 15849 B14R0.513 CCOC(=O)CCCCO[C@@H](CF)CCl 7a_100015614560_100000750268 [0,2,0,0,0,0|2,0,0]=4 15850 B14R0.513 CCOC(=O)CCCCSC(CC)CC 62a_100000210505_100000750268 [0,2,0,0,0,0|1,0,0]=3 15851 B14R0.513 CCOC(=O)CCCCSC(CC)CC 62a_100000750268_100000210505 [0,2,0,0,0,0|1,0,0]=3 15852 B14R0.513 CCOC(=O)CCCNCC(CC)CC 2230a_100102946423_100009991533 [0,2,0,0,0,0|1,0,0]=3 15853 B14R0.513 CCOC(=O)CCCOCC(CC)CC 7a_100000703878_100011215271 [0,2,0,0,0,0|1,0,0]=3 15854 B14R0.513 CCOC(=O)CCCOCC(CC)CC 7a_100012001163_100011215472 [0,2,0,0,0,0|1,0,0]=3 15855 B14R0.513 CCOC(=O)CCCOCC(CC)OC 34a_100011934954_100009991533 [0,2,0,0,0,0|1,0,0]=3 15856 B14R0.513 CCOC(=O)CCCOCC(CC)OC 7a_100011934954_100011215271 [0,2,0,0,0,0|1,0,0]=3 15857 B14R0.513 CCOC(=O)CCCOCC(OC)OC 34a_100011216393_100009991533 [0,2,0,0,0,0|2,0,0]=4 15858 B14R0.513 CCOC(=O)CCCOCC(OC)OC 7a_100012001163_100000751394 [0,2,0,0,0,0|2,0,0]=4 15859 B14R0.513 CCOC(=O)CCCOCN(CC)CC 7a_200015374951_100011215271 [0,2,0,0,0,0|2,0,0]=4 15860 B14R0.513 CCOC(=O)CCCSCC(CC)CC 62a_100009991533_100011215472 [0,2,0,0,0,0|1,0,0]=3 15861 B14R0.513 CCOC(=O)CCCSCC(CC)CC 62a_100011215472_100009991533 [0,2,0,0,0,0|1,0,0]=3 15862 B14R0.513 CCOC(=O)CCCSCC(OC)OC 62a_100000751394_100009991533 [0,2,0,0,0,0|2,0,0]=4 15863 B14R0.513 CCOC(=O)CCCSCC(OC)OC 62a_100009991533_100000751394 [0,2,0,0,0,0|2,0,0]=4 15864 B14R0.513 CCOC(=O)CCNCCN(CC)CC 2230a_100015382049_100011206558 [0,2,0,0,0,0|2,0,0]=4 15865 B14R0.513 CCOC(=O)CCOCCN(CC)CC 7a_100016990331_100011206558 [0,2,0,0,0,0|2,0,0]=4 15866 B14R0.513 CCOC(=O)CCSCCC(OC)OC 62a_100000139399_100000765890 [0,2,0,0,0,0|2,0,0]=4 15867 B14R0.513 CCOC(=O)CCSCCC(OC)OC 62a_100000765890_100000139399 [0,2,0,0,0,0|2,0,0]=4 15868 B14R0.513 CCOC(=O)CCSCCN(CC)CC 62a_100000765890_100000700428 [0,2,0,0,0,0|2,0,0]=4 15869 B14R0.513 CCOC(=O)COCCCN(CC)CC 2230a_100000724800_100009893628 [0,2,0,0,0,0|2,0,0]=4 15870 B14R0.513 CCOC(=O)COCCCN(CC)CC 269956a_100000042499_100009893628 [0,2,0,0,0,0|2,0,0]=4 15871 B14R0.513 CCOC(=O)COCCCN(CC)CC 269982a_100000724800_100009893628 [0,2,0,0,0,0|2,0,0]=4 15872 B14R0.513 CCOC(=O)COCCCN(CC)CC 7a_100000212844_100000188475 [0,2,0,0,0,0|2,0,0]=4 15873 B14R0.513 CCOC(=O)COCCNC(CC)CC 2230a_100000199018_100000088970 [0,2,0,0,0,0|2,0,0]=4 15874 B14R0.513 CCOC(=O)COCCN[C@@H](CC)CO 2230a_100000709445_100000088970 [0,2,0,0,0,0|2,0,0]=4 15875 B14R0.513 CCOC(=O)COCCOC(CC)CC 7a_100000688536_100000088970 [0,2,0,0,0,0|2,0,0]=4 15876 B14R0.513 CCOC(=O)COCCSC(CC)CC 62a_100000088970_100000210505 [0,2,0,0,0,0|2,0,0]=4 15877 B14R0.513 CCOC(=O)COCCSC(CC)CC 62a_100000210505_100000088970 [0,2,0,0,0,0|2,0,0]=4 15878 B14R0.513 CCOC(=O)CSCCCC(OC)OC 62a_100000069011_100000188475 [0,2,0,0,0,0|2,0,0]=4 15879 B14R0.513 CCOC(=O)CSCCCC(OC)OC 62a_100000188475_100000069011 [0,2,0,0,0,0|2,0,0]=4 15880 B14R0.513 CCOC(=O)CSCCCN(CC)CC 62a_100000188475_100000709985 [0,2,0,0,0,0|2,0,0]=4 15881 B14R0.513 CCOC(=O)CSCCOC(CC)CC 7a_200000230590_100000210505 [0,2,0,0,0,0|2,0,0]=4 15882 B14R0.513 CCOC(=O)NCCOCC(CC)CC 34a_100000158857_100011215472 [0,2,0,0,0,0|2,0,0]=4 15883 B14R0.513 CCOC(=O)NCCOCC(CC)CC 7a_100000703878_200011445536 [0,2,0,0,0,0|2,0,0]=4 15884 B14R0.513 CCOC(=O)NCCOCC(CC)OC 7a_100011934954_200011445536 [0,2,0,0,0,0|2,0,0]=4 15885 B14R0.513 CCOC(=O)NCCSCC(CC)CC 62a_100011215472_200011445536 [0,2,0,0,0,0|2,0,0]=4 15886 B14R0.1240 CCCC(=O)COC(C)CCC(C)CC 7a_200011216552_100000747444 [0,2,0,0,0,0|2,0,0]=4 15887 B14R0.1240 CCNC(=O)COC(C)CCC(C)CC 7a_200011216552_100000183381 [0,2,0,0,0,0|2,0,0]=4 15888 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CC 11a_100020588543_100000183558 [0,2,0,0,0,0|1,0,1]=4 15889 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CC 1626a_100020588543_100000183558 [0,2,0,0,0,0|1,0,1]=4 15890 B14R0.1240 CCOC(=O)CCC(=O)NCC(C)CC 240690a_100020588543_100000183558 [0,2,0,0,0,0|1,0,1]=4 15891 B14R0.1240 CCOC(=O)CCC(=O)NCC(O)CC 11a_100011218483_100000183558 [0,2,0,0,0,0|1,0,1]=4 15892 B14R0.1240 CCOC(=O)CCC(=O)NCC(O)CC 240690a_100011218483_100000183558 [0,2,0,0,0,0|1,0,1]=4 15893 B14R0.1240 CCOC(=O)CCC(C)NCC(C)CC 2230a_100020588543_100000748298 [0,2,0,0,0,0|1,0,0]=3 15894 B14R0.1240 CCOC(=O)CCC(C)NCC(C)CO 34a_100000744482_100000748298 [0,2,0,0,0,0|2,0,0]=4 15895 B14R0.1240 CCOC(=O)CCC(C)NCC(O)CC 2230a_100011218483_100000748298 [0,2,0,0,0,0|1,0,0]=3 15896 B14R0.1240 CCOC(=O)CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000748298 [0,2,0,0,0,0|2,0,0]=4 15897 B14R0.1240 CCOC(=O)CCC(C)NC[C@@H](F)CO 34a_100015665980_100000748298 [0,2,0,0,0,0|2,0,0]=4 15898 B14R0.1240 CCOC(=O)CCC(C)NC[C@H](O)CO 2230a_100020644852_100000748298 [0,2,0,0,0,0|2,0,0]=4 15899 B14R0.1240 CCOC(=O)CCC(C)OCC(=O)CC 34a_100000725409_100000748298 [0,2,0,0,0,0|1,0,1]=4 15900 B14R0.1240 CCOC(=O)CCC(C)OCC(C)CN 34a_100000744482_100000748298 [0,2,0,0,0,0|2,0,0]=4 15901 B14R0.1240 CCOC(=O)CCC(C)OCC(C)OC 34a_100000690652_100000748298 [0,2,0,0,0,0|2,0,0]=4 15902 B14R0.1240 CCOC(=O)CCC(C)OCC(Cl)CCl 34a_100000033668_100000748298 [0,2,0,0,0,0|2,0,0]=4 15903 B14R0.1240 CCOC(=O)CCC(C)OC[C@@H](C)CC 7a_100009816381_100000748298 [0,2,0,0,0,0|1,0,0]=3 15904 B14R0.1240 CCOC(=O)CCC(C)OC[C@H](F)CN 34a_100015665980_100000748298 [0,2,0,0,0,0|2,0,0]=4 15905 B14R0.1240 CCOC(=O)CCC(C)SCC(=O)CC 62a_100000747405_100000748298 [0,2,0,0,0,0|1,0,1]=4 15906 B14R0.1240 CCOC(=O)CCC(C)SCC(=O)CC 62a_100000748298_100000747405 [0,2,0,0,0,0|1,0,1]=4 15907 B14R0.1240 CCOC(=O)CCC(C)SCC(C)CC 62a_100000748023_100000748298 [0,2,0,0,0,0|1,0,0]=3 15908 B14R0.1240 CCOC(=O)CCC(C)SCC(C)CC 62a_100000748298_100000748023 [0,2,0,0,0,0|1,0,0]=3 15909 B14R0.1240 CCOC(=O)CCC(C)SCC(O)CC 62a_100000748298_100011218378 [0,2,0,0,0,0|1,0,0]=3 15910 B14R0.1240 CCOC(=O)CCC(C)SCC(O)CC 62a_100011218378_100000748298 [0,2,0,0,0,0|1,0,0]=3 15911 B14R0.1240 CCOC(=O)CCC(C)SCC(O)CO 62a_100000748298_100011219619 [0,2,0,0,0,0|2,0,0]=4 15912 B14R0.1240 CCOC(=O)CCC(C)SCC(O)CO 62a_100011219619_100000748298 [0,2,0,0,0,0|2,0,0]=4 15913 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](C)CC 62a_100000748298_100009816398 [0,2,0,0,0,0|1,0,0]=3 15914 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](C)CC 62a_100009816398_100000748298 [0,2,0,0,0,0|1,0,0]=3 15915 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](C)CO 62a_100000059175_100000748298 [0,2,0,0,0,0|2,0,0]=4 15916 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](C)CO 62a_100000748298_100000059175 [0,2,0,0,0,0|2,0,0]=4 15917 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](O)CF 62a_100000748298_100015614560 [0,2,0,0,0,0|2,0,0]=4 15918 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](O)CF 62a_100015614560_100000748298 [0,2,0,0,0,0|2,0,0]=4 15919 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](O)CO 62a_100000748298_100009815848 [0,2,0,0,0,0|2,0,0]=4 15920 B14R0.1240 CCOC(=O)CCC(C)SC[C@@H](O)CO 62a_100009815848_100000748298 [0,2,0,0,0,0|2,0,0]=4 15921 B14R0.1240 CCOC(=O)CNC(=O)CCC(C)CC 188690a_100000741813_100000701222 [0,2,0,0,0,0|1,0,1]=4 15922 B14R0.1240 CCOC(=O)CNC(=O)CCC(O)CC 188690a_100000741813_203496584001 [0,2,0,0,0,0|1,0,1]=4 15923 B14R0.1240 CCOC(=O)COC(C)CCC(C)CC 7a_200011216552_100000188475 [0,2,0,0,0,0|1,0,0]=3 15924 B14R0.2754 CCOC(=O)CCCCNC(C)(C)CC 2230a_100000211385_100000750268 [0,2,0,0,0,0|1,0,0]=3 15925 B14R0.2754 CCOC(=O)CCCCNC(C)(C)CO 2230a_100000210608_100000750268 [0,2,0,0,0,0|2,0,0]=4 15926 B14R0.2754 CCOC(=O)CCCCOC(C)(C)CC 7a_100000210230_100000750268 [0,2,0,0,0,0|1,0,0]=3 15927 B14R0.2754 CCOC(=O)CCCCOC(C)(C)CCl 7a_100000764493_100000750268 [0,2,0,0,0,0|2,0,0]=4 15928 B14R0.2754 CCOC(=O)CCCCSC(C)(C)CC 62a_100000032637_100000750268 [0,2,0,0,0,0|1,0,0]=3 15929 B14R0.2754 CCOC(=O)CCCCSC(C)(C)CC 62a_100000750268_100000032637 [0,2,0,0,0,0|1,0,0]=3 15930 B14R0.2754 CCOC(=O)CCCCSC(F)(F)CO 62a_100000750268_100011217949 [0,2,0,0,0,0|2,0,0]=4 15931 B14R0.2754 CCOC(=O)CCCCSC(F)(F)CO 62a_100011217949_100000750268 [0,2,0,0,0,0|2,0,0]=4 15932 B14R0.2754 CCOC(=O)CCCNCC(C)(C)CO 2230a_100020635058_100009991533 [0,2,0,0,0,0|2,0,0]=4 15933 B14R0.2754 CCOC(=O)CCCNCC(C)(C)OC 2230a_100000763424_100009991533 [0,2,0,0,0,0|2,0,0]=4 15934 B14R0.2754 CCOC(=O)CCCOCC(C)(C)CC 7a_100000765029_100011215271 [0,2,0,0,0,0|1,0,0]=3 15935 B14R0.2754 CCOC(=O)CCCOCC(C)(C)CCl 7a_100011217199_100011215271 [0,2,0,0,0,0|2,0,0]=4 15936 B14R0.2754 CCOC(=O)CCCOCC(C)(C)CO 7a_100012001163_100009813988 [0,2,0,0,0,0|2,0,0]=4 15937 B14R0.2754 CCOC(=O)CCCOCC(F)(F)CN 34a_100000703232_100009991533 [0,2,0,0,0,0|2,0,0]=4 15938 B14R0.2754 CCOC(=O)CCCSCC(C)(C)CO 62a_100009813988_100009991533 [0,2,0,0,0,0|2,0,0]=4 15939 B14R0.2754 CCOC(=O)CCCSCC(C)(C)CO 62a_100009991533_100009813988 [0,2,0,0,0,0|2,0,0]=4 15940 B14R0.2754 CCOC(=O)CCCSCC(C)(C)OC 62a_100000701081_100009991533 [0,2,0,0,0,0|2,0,0]=4 15941 B14R0.2754 CCOC(=O)CCCSCC(C)(C)OC 62a_100009991533_100000701081 [0,2,0,0,0,0|2,0,0]=4 15942 B14R0.2754 CCOC(=O)CCNCCS(=O)(=O)CC 2230a_100000751051_100011206558 [0,2,0,0,0,0|2,0,0]=4 15943 B14R0.2754 CCOC(=O)CCNCCS(=O)(=O)CC 34a_100000751051_100000765890 [0,2,0,0,0,0|2,0,0]=4 15944 B14R0.2754 CCOC(=O)CCOCCC(C)(C)OC 7a_100000699976_100011206558 [0,2,0,0,0,0|2,0,0]=4 15945 B14R0.2754 CCOC(=O)CCOCCS(=O)(=O)CC 34a_200011216379_100000765890 [0,2,0,0,0,0|2,0,0]=4 15946 B14R0.2754 CCOC(=O)CCOCCS(=O)(=O)CC 7a_200011216379_100011206558 [0,2,0,0,0,0|2,0,0]=4 15947 B14R0.2754 CCOC(=O)CCSCCS(=O)(=O)CC 62a_100000756660_100000765890 [0,2,0,0,0,0|2,0,0]=4 15948 B14R0.2754 CCOC(=O)CCSCCS(=O)(=O)CC 62a_100000765890_100000756660 [0,2,0,0,0,0|2,0,0]=4 15949 B14R0.2754 CCOC(=O)CNCCCC(C)(C)CO 2230a_100000039164_100000188475 [0,2,0,0,0,0|2,0,0]=4 15950 B14R0.2754 CCOC(=O)COCCNC(C)(C)CC 2230a_100000211385_100000088970 [0,2,0,0,0,0|2,0,0]=4 15951 B14R0.2754 CCOC(=O)COCCOC(C)(C)CC 7a_100000210230_100000088970 [0,2,0,0,0,0|2,0,0]=4 15952 B14R0.2754 CCOC(=O)COCCSC(C)(C)CC 62a_100000032637_100000088970 [0,2,0,0,0,0|2,0,0]=4 15953 B14R0.2754 CCOC(=O)COCCSC(C)(C)CC 62a_100000088970_100000032637 [0,2,0,0,0,0|2,0,0]=4 15954 B14R0.2754 CCOC(=O)CSCCOC(C)(C)CC 7a_200000230590_100000210677 [0,2,0,0,0,0|2,0,0]=4 15955 B14R0.2754 CCOC(=O)NCCOCC(C)(C)CC 7a_100000765029_200011445536 [0,2,0,0,0,0|2,0,0]=4 15956 B14R0.2861 CCOC(=O)CC(=O)CCCN(C)CC 1458a_100000243816_100015186262 [0,2,0,0,0,0|1,0,1]=4 15957 B14R0.2861 CCOC(=O)CC(=O)CSCC(C)CC 62a_100000210311_100000748023 [0,2,0,0,0,0|1,0,1]=4 15958 B14R0.2861 CCOC(=O)CC(=O)CSCC(C)CC 62a_100000748023_100000210311 [0,2,0,0,0,0|1,0,1]=4 15959 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CC 62a_100000210311_100011218378 [0,2,0,0,0,0|1,0,1]=4 15960 B14R0.2861 CCOC(=O)CC(=O)CSCC(O)CC 62a_100011218378_100000210311 [0,2,0,0,0,0|1,0,1]=4 15961 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CC 62a_100000210311_100009816398 [0,2,0,0,0,0|1,0,1]=4 15962 B14R0.2861 CCOC(=O)CC(=O)CSC[C@@H](C)CC 62a_100009816398_100000210311 [0,2,0,0,0,0|1,0,1]=4 15963 B14R0.2861 CCOC(=O)CC(=O)NCCC(C)CC 240690a_100020591266_100000243816 [0,2,0,0,0,0|1,0,1]=4 15964 B14R0.2861 CCOC(=O)CC(C)NCCC(C)CC 2230a_100020591266_100009817359 [0,2,0,0,0,0|1,0,0]=3 15965 B14R0.2861 CCOC(=O)CC(C)NCCC(C)CO 2230a_106354213184_100009817359 [0,2,0,0,0,0|2,0,0]=4 15966 B14R0.2861 CCOC(=O)CC(C)OCCC(C)CC 7a_100011215188_100009817359 [0,2,0,0,0,0|1,0,0]=3 15967 B14R0.2861 CCOC(=O)CC(C)OCCC(C)OC 7a_100000764861_100009817359 [0,2,0,0,0,0|2,0,0]=4 15968 B14R0.2861 CCOC(=O)CN(C)CCCN(C)CC 2230a_100000220588_100015186262 [0,2,0,0,0,0|2,0,0]=4 15969 B14R0.2861 CCOC(=O)C[C@H](O)CCNC(=O)CC 188690a_200020634500_100000210414 [0,2,0,0,0,0|1,0,1]=4 15970 B14R0.2861 CCOC(=O)C[C@H](O)CNCC(C)CO 34a_100000744482_100000688340 [0,2,0,0,0,0|2,0,0]=4 15971 B14R0.2861 CCOC(=O)C[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100000688340 [0,2,0,0,0,0|2,0,0]=4 15972 B14R0.2861 CCOC(=O)C[C@H](O)COCC(=O)CC 34a_100000725409_100000688340 [0,2,0,0,0,0|1,0,1]=4 15973 B14R0.2861 CCOC(=O)C[C@H](O)COCC(C)CN 34a_100000744482_100000688340 [0,2,0,0,0,0|2,0,0]=4 15974 B14R0.2861 CCOC(=O)C[C@H](O)COCC(C)OC 34a_100000690652_100000688340 [0,2,0,0,0,0|2,0,0]=4 15975 B14R0.2861 CCOC(=O)C[C@H](O)COCC(Cl)CCl 34a_100000033668_100000688340 [0,2,0,0,0,0|2,0,0]=4 15976 B14R0.2861 CCOC(=O)C[C@H](O)COC[C@@H](C)CC 7a_100009816381_100000688340 [0,2,0,0,0,0|1,0,0]=3 15977 B14R0.2861 CCOC(=O)C[C@H](O)COC[C@H](F)CN 34a_100015665980_100000688340 [0,2,0,0,0,0|2,0,0]=4 15978 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)CC 62a_100000688340_100000747405 [0,2,0,0,0,0|1,0,1]=4 15979 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(=O)CC 62a_100000747405_100000688340 [0,2,0,0,0,0|1,0,1]=4 15980 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(C)CC 62a_100000688340_100000748023 [0,2,0,0,0,0|1,0,0]=3 15981 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(C)CC 62a_100000748023_100000688340 [0,2,0,0,0,0|1,0,0]=3 15982 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CC 62a_100000688340_100011218378 [0,2,0,0,0,0|1,0,0]=3 15983 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CC 62a_100011218378_100000688340 [0,2,0,0,0,0|1,0,0]=3 15984 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CO 62a_100000688340_100011219619 [0,2,0,0,0,0|2,0,0]=4 15985 B14R0.2861 CCOC(=O)C[C@H](O)CSCC(O)CO 62a_100011219619_100000688340 [0,2,0,0,0,0|2,0,0]=4 15986 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CC 62a_100000688340_100009816398 [0,2,0,0,0,0|1,0,0]=3 15987 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CC 62a_100009816398_100000688340 [0,2,0,0,0,0|1,0,0]=3 15988 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CO 62a_100000059175_100000688340 [0,2,0,0,0,0|2,0,0]=4 15989 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](C)CO 62a_100000688340_100000059175 [0,2,0,0,0,0|2,0,0]=4 15990 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CF 62a_100000688340_100015614560 [0,2,0,0,0,0|2,0,0]=4 15991 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100000688340 [0,2,0,0,0,0|2,0,0]=4 15992 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CO 62a_100000688340_100009815848 [0,2,0,0,0,0|2,0,0]=4 15993 B14R0.2861 CCOC(=O)C[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100000688340 [0,2,0,0,0,0|2,0,0]=4 15994 B14R0.39 C=C(C)CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000730704 [0,2,0,0,0,0|0,0,2]=4 15995 B14R0.39 C=C(C)CCC(=O)CCCC(=O)OCC 1458a_200000688413_100011215271 [0,2,0,0,0,0|0,0,2]=4 15996 B14R0.39 CCNC(=O)CCCC(=O)CCC(C)C 1458a_100000199580_100000210312 [0,2,0,0,0,0|1,0,1]=4 15997 B14R0.39 CCNC(=O)CCCC(=O)CCC(C)O 1458a_100000199580_100012276601 [0,2,0,0,0,0|1,0,1]=4 15998 B14R0.39 CCNC(=O)CCNC(C)CCC(C)C 2230a_100138410893_100000737597 [0,2,0,0,0,0|2,0,0]=4 15999 B14R0.39 CCNC(=O)CCNC(C)CCC(C)C 270004a_100025743525_100000210476 [0,2,0,0,0,0|2,0,0]=4 16000 B14R0.39 CCNC(=O)CCNC(C)CCC(C)C 34a_100025743525_100011261404 [0,2,0,0,0,0|2,0,0]=4 16001 B14R0.39 CCNC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000737597 [0,2,0,0,0,0|2,0,0]=4 16002 B14R0.39 CCNC(=O)CCSC(C)CCC(C)C 62a_100000737597_100011261404 [0,2,0,0,0,0|2,0,0]=4 16003 B14R0.39 CCNC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000737597 [0,2,0,0,0,0|2,0,0]=4 16004 B14R0.39 CCOC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215271 [0,2,0,0,0,0|0,0,1]=3 16005 B14R0.39 CCOC(=O)CCCC(=O)CCC(C)C 1458a_100000210991_100000210312 [0,2,0,0,0,0|0,0,1]=3 16006 B14R0.39 CCOC(=O)CCCC(=O)CCC(C)O 1458a_100000210991_100012276601 [0,2,0,0,0,0|0,0,1]=3 16007 B14R0.39 CCOC(=O)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011215271 [0,2,0,0,0,0|1,0,1]=4 16008 B14R0.39 CCOC(=O)CCCC(=O)COC(C)C 1458a_100000745533_100011215271 [0,2,0,0,0,0|1,0,1]=4 16009 B14R0.39 CCOC(=O)CCCC(=O)CSC(C)C 1458a_100000241585_100011215271 [0,2,0,0,0,0|1,0,1]=4 16010 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)C 11a_100000210953_100000210991 [0,2,0,0,0,0|1,0,1]=4 16011 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)C 1626a_100000210953_100000210991 [0,2,0,0,0,0|1,0,1]=4 16012 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)C 240690a_100000210953_100000210991 [0,2,0,0,0,0|1,0,1]=4 16013 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)C 527a_100000210953_100000210991 [0,2,0,0,0,0|1,0,1]=4 16014 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)O 11a_100000210904_100000210991 [0,2,0,0,0,0|1,0,1]=4 16015 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)O 240690a_100000210904_100000210991 [0,2,0,0,0,0|1,0,1]=4 16016 B14R0.39 CCOC(=O)CCCC(=O)NCC(C)O 527a_100000210904_100000210991 [0,2,0,0,0,0|1,0,1]=4 16017 B14R0.39 CCOC(=O)CCCN(C)CCC(C)C 2230a_100000742789_100009991533 [0,2,0,0,0,0|1,0,0]=3 16018 B14R0.39 CCOC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100009991533 [0,2,0,0,0,0|1,0,0]=3 16019 B14R0.39 CCOC(=O)CCCN(C)CCN(C)C 269982a_100000225618_100009991533 [0,2,0,0,0,0|2,0,0]=4 16020 B14R0.39 CCOC(=O)CCNC(=O)CCC(C)C 188690a_100000746078_100000181311 [0,2,0,0,0,0|1,0,1]=4 16021 B14R0.39 CCOC(=O)CCNC(=O)CCC(C)O 188690a_100000746078_100000718519 [0,2,0,0,0,0|1,0,1]=4 16022 B14R0.39 CCOC(=O)CCNC(C)CCC(C)C 2230a_100138410893_100011206558 [0,2,0,0,0,0|1,0,0]=3 16023 B14R0.39 CCOC(=O)CCOC(C)CCC(C)C 34a_100011215350_100000765890 [0,2,0,0,0,0|1,0,0]=3 16024 B14R0.39 CCOC(=O)CCOC(C)CCC(C)C 7a_100011215350_100011206558 [0,2,0,0,0,0|1,0,0]=3 16025 B14R0.39 CCOC(=O)CCSC(C)CCC(C)C 62a_100000765890_100011261404 [0,2,0,0,0,0|1,0,0]=3 16026 B14R0.39 CCOC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000765890 [0,2,0,0,0,0|1,0,0]=3 16027 B14R0.39 CCOC(=O)NCCC(=O)CCC(C)C 1458a_100000181311_200011445536 [0,2,0,0,0,0|1,0,1]=4 16028 B14R0.39 CCOC(=O)NCCN(C)CCC(C)C 269982a_100000742789_200011445536 [0,2,0,0,0,0|2,0,0]=4 16029 B14R0.39 CCOC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000075025 [0,2,0,0,0,0|2,0,0]=4 16030 B14R0.131 CCC(C)C(=O)CCCCCCC(C)C 1458a_100000040743_100000758301 [0,2,0,0,0,0|1,0,0]=3 16031 B14R0.131 CCC(C)C(=O)NCCCCCC(C)C 1626a_100011290863_100011192722 [0,2,0,0,0,0|2,0,0]=4 16032 B14R0.131 CCC(C)C(=O)NCCCCCC(C)C 240690a_100011290863_100011192722 [0,2,0,0,0,0|2,0,0]=4 16033 B14R0.131 CCC(C)C(=O)NCCCCCC(C)C 527a_100011290863_100011192722 [0,2,0,0,0,0|2,0,0]=4 16034 B14R0.131 CCC(O)C(=O)NCCCCCC(C)C 240690a_100011290863_100011196387 [0,2,0,0,0,0|2,0,0]=4 16035 B14R0.131 CCN(C)C(=O)CCCCCCC(C)C 11a_100000225621_100000040743 [0,2,0,0,0,0|1,0,0]=3 16036 B14R0.131 CCN(C)C(=O)CCCCCCC(C)C 1626a_100000225621_100000040743 [0,2,0,0,0,0|1,0,0]=3 16037 B14R0.131 CCN(C)C(=O)CCCCCCC(C)C 240690a_100000225621_100000040743 [0,2,0,0,0,0|1,0,0]=3 16038 B14R0.131 CCN(C)C(=O)CCCCCCC(C)C 527a_100000225621_100000040743 [0,2,0,0,0,0|1,0,0]=3 16039 B14R0.131 CCN(C)C(=O)COCCCCC(C)C 34a_100011214890_100000738999 [0,2,0,0,0,0|2,0,0]=4 16040 B14R0.131 CCN(C)C(=O)COCCCCC(C)C 7a_100011214890_100000738999 [0,2,0,0,0,0|2,0,0]=4 16041 B14R0.131 CCN(C)C(=O)CSCCCCC(C)C 62a_100000738999_100011216152 [0,2,0,0,0,0|2,0,0]=4 16042 B14R0.131 CCN(C)C(=O)CSCCCCC(C)C 62a_100011216152_100000738999 [0,2,0,0,0,0|2,0,0]=4 16043 B14R0.131 CCN(C)C(=O)NCCCCCC(C)C 2708a_100011290863_100000225621 [0,2,0,0,0,0|2,0,0]=4 16044 B14R0.131 CCN(C)C(=O)NCCCCCC(C)C 273464a_100011290863_100000225621 [0,2,0,0,0,0|2,0,0]=4 16045 B14R0.315 C=C(CNCCCC(C)C)C(=O)OCC 34a_200000737386_100000755967 [0,2,0,0,0,0|1,0,1]=4 16046 B14R0.315 C=C(COCCCC(C)C)C(=O)OCC 34a_100000210774_100000755967 [0,2,0,0,0,0|1,0,1]=4 16047 B14R0.315 C=C(COCCCC(C)C)C(=O)OCC 7a_100000210774_100000755967 [0,2,0,0,0,0|1,0,1]=4 16048 B14R0.315 C=C(CSCCCC(C)C)C(=O)OCC 62a_100000755967_100011214892 [0,2,0,0,0,0|1,0,1]=4 16049 B14R0.315 C=C(CSCCCC(C)C)C(=O)OCC 62a_100011214892_100000755967 [0,2,0,0,0,0|1,0,1]=4 16050 B14R0.315 C=C(CSCCCC(C)O)C(=O)OCC 62a_100000755967_200000718107 [0,2,0,0,0,0|1,0,1]=4 16051 B14R0.315 C=C(CSCCCC(C)O)C(=O)OCC 62a_200000718107_100000755967 [0,2,0,0,0,0|1,0,1]=4 16052 B14R0.315 CCNC(=O)C(=O)CCCCCC(C)C 1458a_200011297158_100000210682 [0,2,0,0,0,0|1,0,1]=4 16053 B14R0.315 CCNC(=O)C(C)NCCCCC(C)C 2230a_100000736553_100011216152 [0,2,0,0,0,0|2,0,0]=4 16054 B14R0.315 CCNC(=O)C(C)NCCCCC(C)C 34a_100000736553_100011216152 [0,2,0,0,0,0|2,0,0]=4 16055 B14R0.315 CCNC(=O)C(C)OCCCCC(C)C 34a_100011214890_100000230173 [0,2,0,0,0,0|2,0,0]=4 16056 B14R0.315 CCNC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000230173 [0,2,0,0,0,0|2,0,0]=4 16057 B14R0.315 CCNC(=O)C(C)SCCCCC(C)C 62a_100000230173_100011216152 [0,2,0,0,0,0|2,0,0]=4 16058 B14R0.315 CCNC(=O)C(C)SCCCCC(C)C 62a_100011216152_100000230173 [0,2,0,0,0,0|2,0,0]=4 16059 B14R0.315 CCOC(=O)C(=O)CCCCCC(=O)C 1458a_100000070787_100000068741 [0,2,0,0,0,0|0,0,2]=4 16060 B14R0.315 CCOC(=O)C(=O)CCCCCN(C)C 2230a_100102631434_100000068741 [0,2,0,0,0,0|1,0,1]=4 16061 B14R0.315 CCOC(=O)C(=O)CCCCCN(C)C 269982a_100102631434_100000068741 [0,2,0,0,0,0|1,0,1]=4 16062 B14R0.315 CCOC(=O)C(=O)CSCCCC(C)C 62a_100000211299_100011214892 [0,2,0,0,0,0|1,0,1]=4 16063 B14R0.315 CCOC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100000211299 [0,2,0,0,0,0|1,0,1]=4 16064 B14R0.315 CCOC(=O)C(=O)CSCCCC(C)O 62a_100000211299_200000718107 [0,2,0,0,0,0|1,0,1]=4 16065 B14R0.315 CCOC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100000211299 [0,2,0,0,0,0|1,0,1]=4 16066 B14R0.315 CCOC(=O)C(C)NCCCOC(C)C 2230a_100000737246_100011215307 [0,2,0,0,0,0|2,0,0]=4 16067 B14R0.315 CCOC(=O)C(C)NCCCOC(C)C 34a_100000737246_100011216346 [0,2,0,0,0,0|2,0,0]=4 16068 B14R0.315 CCOC(=O)C(C)OCCCCC(C)C 34a_100011214890_100011216346 [0,2,0,0,0,0|1,0,0]=3 16069 B14R0.315 CCOC(=O)C(C)OCCCCC(C)C 7a_100011214890_100011216346 [0,2,0,0,0,0|1,0,0]=3 16070 B14R0.315 CCOC(=O)C(C)OCCCNC(C)C 34a_100000182298_100011216346 [0,2,0,0,0,0|2,0,0]=4 16071 B14R0.315 CCOC(=O)C(C)OCCNCC(C)C 34a_100015185251_100011216346 [0,2,0,0,0,0|2,0,0]=4 16072 B14R0.315 CCOC(=O)C(C)OCCOCC(C)C 34a_100000703358_100011216346 [0,2,0,0,0,0|2,0,0]=4 16073 B14R0.315 CCOC(=O)C(C)OCCOCC(C)C 7a_100000703358_100011216346 [0,2,0,0,0,0|2,0,0]=4 16074 B14R0.315 CCOC(=O)C(C)OCCSCC(C)C 34a_200000230437_100011216346 [0,2,0,0,0,0|2,0,0]=4 16075 B14R0.315 CCOC(=O)C(C)OCCSCC(C)C 7a_200000230437_100011216346 [0,2,0,0,0,0|2,0,0]=4 16076 B14R0.315 CCOC(=O)C(C)SCCCCC(=O)C 62a_100000735457_100011216346 [0,2,0,0,0,0|1,0,1]=4 16077 B14R0.315 CCOC(=O)C(C)SCCCCC(=O)C 62a_100011216346_100000735457 [0,2,0,0,0,0|1,0,1]=4 16078 B14R0.315 CCOC(=O)C(C)SCCCCC(C)C 62a_100011216152_100011216346 [0,2,0,0,0,0|1,0,0]=3 16079 B14R0.315 CCOC(=O)C(C)SCCCCC(C)C 62a_100011216346_100011216152 [0,2,0,0,0,0|1,0,0]=3 16080 B14R0.315 CCOC(=O)C(C)SCCCCN(C)C 62a_100011216346_100000690147 [0,2,0,0,0,0|2,0,0]=4 16081 B14R0.315 CCOC(=O)C(F)NCCCOC(C)C 2230a_100000737246_100000760018 [0,2,0,0,0,0|2,0,0]=4 16082 B14R0.315 CCOC(=O)C(F)NCCCOC(C)C 34a_100000737246_100000760018 [0,2,0,0,0,0|2,0,0]=4 16083 B14R0.315 CCOC(=O)C(F)OCCCCC(C)C 34a_100011214890_100000760018 [0,2,0,0,0,0|1,0,0]=3 16084 B14R0.315 CCOC(=O)C(F)OCCCCC(C)C 7a_100011214890_100000040065 [0,2,0,0,0,0|1,0,0]=3 16085 B14R0.315 CCOC(=O)C(F)OCCCNC(C)C 34a_100000182298_100000760018 [0,2,0,0,0,0|2,0,0]=4 16086 B14R0.315 CCOC(=O)C(F)OCCNCC(C)C 34a_100015185251_100000760018 [0,2,0,0,0,0|2,0,0]=4 16087 B14R0.315 CCOC(=O)C(F)OCCOCC(C)C 34a_100000703358_100000760018 [0,2,0,0,0,0|2,0,0]=4 16088 B14R0.315 CCOC(=O)C(F)OCCOCC(C)C 7a_100000703358_100000040065 [0,2,0,0,0,0|2,0,0]=4 16089 B14R0.315 CCOC(=O)C(F)OCCSCC(C)C 34a_200000230437_100000760018 [0,2,0,0,0,0|2,0,0]=4 16090 B14R0.315 CCOC(=O)C(F)OCCSCC(C)C 7a_200000230437_100000040065 [0,2,0,0,0,0|2,0,0]=4 16091 B14R0.315 CCOC(=O)C(F)SCCCCC(=O)C 62a_100000735457_100000760018 [0,2,0,0,0,0|1,0,1]=4 16092 B14R0.315 CCOC(=O)C(F)SCCCCC(=O)C 62a_100000760018_100000735457 [0,2,0,0,0,0|1,0,1]=4 16093 B14R0.315 CCOC(=O)C(F)SCCCCC(C)C 62a_100000760018_100011216152 [0,2,0,0,0,0|1,0,0]=3 16094 B14R0.315 CCOC(=O)C(F)SCCCCC(C)C 62a_100011216152_100000760018 [0,2,0,0,0,0|1,0,0]=3 16095 B14R0.315 CCOC(=O)C(F)SCCCCN(C)C 62a_100000760018_100000690147 [0,2,0,0,0,0|2,0,0]=4 16096 B14R0.315 CCOC(=O)[C@H](C)OCCCCC(=O)C 7a_100000751109_100000735457 [0,2,0,0,0,0|1,0,1]=4 16097 B14R0.315 CCOC(=O)[C@H](C)OCCCCC(C)C 7a_100000751109_100011216152 [0,2,0,0,0,0|1,0,0]=3 16098 B14R0.315 CCSC(=O)[C@H](C)NCCCCC(C)C 2230a_100103168634_100011216152 [0,2,0,0,0,0|1,1,0]=4 16099 B14R0.413 CCCC(=O)CCCCCC[N+](C)(C)C 1458a_100000211992_100009996864 [0,2,0,0,0,0|2,0,0]=4 16100 B14R0.413 CCNC(=O)CCNCCCC(C)(C)O 34a_100025743525_100009888830 [0,2,0,0,0,0|2,0,0]=4 16101 B14R0.413 CCNC(=O)CCSCCCC(C)(C)O 62a_100000737597_100009888830 [0,2,0,0,0,0|2,0,0]=4 16102 B14R0.413 CCNC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000737597 [0,2,0,0,0,0|2,0,0]=4 16103 B14R0.413 CCOC(=O)CCCCCNC(C)(C)C 2230a_100000715429_100000755133 [0,2,0,0,0,0|1,0,0]=3 16104 B14R0.413 CCOC(=O)CCCCCOC(C)(C)C 34a_100015890283_100000755133 [0,2,0,0,0,0|1,0,0]=3 16105 B14R0.413 CCOC(=O)CCCCCOC(C)(C)C 7a_100015890283_100000755133 [0,2,0,0,0,0|1,0,0]=3 16106 B14R0.413 CCOC(=O)CCCCCOC(F)(F)F 7a_100011214988_200000243211 [0,2,0,0,0,0|2,0,0]=4 16107 B14R0.413 CCOC(=O)CCCCCSC(C)(C)C 62a_100000211941_100000755133 [0,2,0,0,0,0|1,0,0]=3 16108 B14R0.413 CCOC(=O)CCCCCSC(C)(C)C 62a_100000755133_100000211941 [0,2,0,0,0,0|1,0,0]=3 16109 B14R0.413 CCOC(=O)CCCCCSC(F)(F)F 62a_100000755133_200103152311 [0,2,0,0,0,0|2,0,0]=4 16110 B14R0.413 CCOC(=O)CCCCCSC(F)(F)F 62a_200000243211_100000755133 [0,2,0,0,0,0|2,0,0]=4 16111 B14R0.413 CCOC(=O)CCCCNCC(C)(C)C 2230a_100000743828_100000750268 [0,2,0,0,0,0|1,0,0]=3 16112 B14R0.413 CCOC(=O)CCCCNCC(C)(C)F 2230a_100020643315_100000750268 [0,2,0,0,0,0|1,0,0]=3 16113 B14R0.413 CCOC(=O)CCCCNCC(C)(C)O 2230a_100000751335_100000750268 [0,2,0,0,0,0|1,0,0]=3 16114 B14R0.413 CCOC(=O)CCCCNCC(F)(F)F 34a_100000717047_100000750268 [0,2,0,0,0,0|2,0,0]=4 16115 B14R0.413 CCOC(=O)CCCCOCC(C)(C)F 34a_100000716592_100000750268 [0,2,0,0,0,0|1,0,0]=3 16116 B14R0.413 CCOC(=O)CCCCOCC(C)(F)F 34a_100000068830_100000750268 [0,2,0,0,0,0|1,0,0]=3 16117 B14R0.413 CCOC(=O)CCCCOCC(F)(F)Br 34a_100011217949_100000750268 [0,2,0,0,0,0|2,0,0]=4 16118 B14R0.413 CCOC(=O)CCCCOCC(F)(F)Cl 34a_100000734434_100000750268 [0,2,0,0,0,0|2,0,0]=4 16119 B14R0.413 CCOC(=O)CCCCOCC(F)(F)F 34a_100000210435_100000750268 [0,2,0,0,0,0|2,0,0]=4 16120 B14R0.413 CCOC(=O)CCCCSCC(C)(C)C 62a_100000750268_100011219605 [0,2,0,0,0,0|1,0,0]=3 16121 B14R0.413 CCOC(=O)CCCCSCC(C)(C)C 62a_100011219605_100000750268 [0,2,0,0,0,0|1,0,0]=3 16122 B14R0.413 CCOC(=O)CCCCSCC(C)(C)F 62a_100000750268_100011997219 [0,2,0,0,0,0|1,0,0]=3 16123 B14R0.413 CCOC(=O)CCCCSCC(C)(C)F 62a_100011997219_100000750268 [0,2,0,0,0,0|1,0,0]=3 16124 B14R0.413 CCOC(=O)CCCCSCC(C)(C)O 62a_100000750268_100000764493 [0,2,0,0,0,0|1,0,0]=3 16125 B14R0.413 CCOC(=O)CCCCSCC(C)(C)O 62a_100000764493_100000750268 [0,2,0,0,0,0|1,0,0]=3 16126 B14R0.413 CCOC(=O)CCCCSCC(F)(F)F 62a_100000750268_100000763148 [0,2,0,0,0,0|2,0,0]=4 16127 B14R0.413 CCOC(=O)CCCCSCC(F)(F)F 62a_100000763148_100000750268 [0,2,0,0,0,0|2,0,0]=4 16128 B14R0.413 CCOC(=O)CCCCSC[N+](C)(C)C 62a_100000750268_200000036245 [0,2,0,0,0,0|2,0,0]=4 16129 B14R0.413 CCOC(=O)CCCCSC[N+](C)(C)C 62a_200000036245_100000750268 [0,2,0,0,0,0|2,0,0]=4 16130 B14R0.413 CCOC(=O)CCCCSC[Si](C)(C)C 62a_100000037933_100000750268 [0,2,0,0,0,0|1,1,0]=4 16131 B14R0.413 CCOC(=O)CCCCSC[Si](C)(C)C 62a_100000750268_100000037933 [0,2,0,0,0,0|1,1,0]=4 16132 B14R0.413 CCOC(=O)CCCNCCC(C)(C)C 2230a_100000738805_100009991533 [0,2,0,0,0,0|1,0,0]=3 16133 B14R0.413 CCOC(=O)CCCNCCC(C)(C)F 2230a_100016253952_100009991533 [0,2,0,0,0,0|1,0,0]=3 16134 B14R0.413 CCOC(=O)CCCNCCC(F)(F)F 2230a_100000740434_100009991533 [0,2,0,0,0,0|2,0,0]=4 16135 B14R0.413 CCOC(=O)CCCNCCC(F)(F)F 34a_100000740434_100009991533 [0,2,0,0,0,0|2,0,0]=4 16136 B14R0.413 CCOC(=O)CCCNCCS(=O)(=O)C 2230a_100000740961_100009991533 [0,2,0,0,0,0|2,0,0]=4 16137 B14R0.413 CCOC(=O)CCCNCCS(=O)(=O)C 34a_100000740961_100009991533 [0,2,0,0,0,0|2,0,0]=4 16138 B14R0.413 CCOC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011215271 [0,2,0,0,0,0|1,0,0]=3 16139 B14R0.413 CCOC(=O)CCCOCCC(C)(C)C 7a_100012001163_100000755188 [0,2,0,0,0,0|1,0,0]=3 16140 B14R0.413 CCOC(=O)CCCOCCC(C)(C)O 7a_100012001163_100000702414 [0,2,0,0,0,0|1,0,0]=3 16141 B14R0.413 CCOC(=O)CCCOCCC(F)(F)F 34a_100000752437_100009991533 [0,2,0,0,0,0|2,0,0]=4 16142 B14R0.413 CCOC(=O)CCCOCCC(F)(F)F 7a_100012001163_100011219754 [0,2,0,0,0,0|2,0,0]=4 16143 B14R0.413 CCOC(=O)CCCOCCS(=O)(=O)C 34a_100000211924_100009991533 [0,2,0,0,0,0|2,0,0]=4 16144 B14R0.413 CCOC(=O)CCCOCCS(=O)(=O)C 7a_100000211924_100011215271 [0,2,0,0,0,0|2,0,0]=4 16145 B14R0.413 CCOC(=O)CCCOCCS(=O)(=O)C 7a_100012001163_100000230027 [0,2,0,0,0,0|2,0,0]=4 16146 B14R0.413 CCOC(=O)CCCOCC[N+](C)(C)C 7a_100012001163_100000085578 [0,2,0,0,0,0|2,0,0]=4 16147 B14R0.413 CCOC(=O)CCCOCC[N+](C)(C)C 7a_200020618287_100011215271 [0,2,0,0,0,0|2,0,0]=4 16148 B14R0.413 CCOC(=O)CCCOCC[Si](C)(C)C 7a_100000039746_100011215271 [0,2,0,0,0,0|1,1,0]=4 16149 B14R0.413 CCOC(=O)CCCOCC[Si](C)(C)C 7a_100012001163_200000733723 [0,2,0,0,0,0|1,1,0]=4 16150 B14R0.413 CCOC(=O)CCCSCCC(C)(C)C 62a_100000755188_100009991533 [0,2,0,0,0,0|1,0,0]=3 16151 B14R0.413 CCOC(=O)CCCSCCC(C)(C)C 62a_100009991533_100000755188 [0,2,0,0,0,0|1,0,0]=3 16152 B14R0.413 CCOC(=O)CCCSCCC(C)(C)O 62a_100000702414_100009991533 [0,2,0,0,0,0|1,0,0]=3 16153 B14R0.413 CCOC(=O)CCCSCCC(C)(C)O 62a_100009991533_100000702414 [0,2,0,0,0,0|1,0,0]=3 16154 B14R0.413 CCOC(=O)CCCSCCC(F)(F)F 62a_100009991533_100011219754 [0,2,0,0,0,0|2,0,0]=4 16155 B14R0.413 CCOC(=O)CCCSCCC(F)(F)F 62a_100011219754_100009991533 [0,2,0,0,0,0|2,0,0]=4 16156 B14R0.413 CCOC(=O)CCCSCCS(=O)(=O)C 62a_100000731031_100009991533 [0,2,0,0,0,0|2,0,0]=4 16157 B14R0.413 CCOC(=O)CCCSCCS(=O)(=O)C 62a_100009991533_100000230027 [0,2,0,0,0,0|2,0,0]=4 16158 B14R0.413 CCOC(=O)CCCSCC[N+](C)(C)C 62a_100000085578_100009991533 [0,2,0,0,0,0|2,0,0]=4 16159 B14R0.413 CCOC(=O)CCCSCC[N+](C)(C)C 62a_100009991533_100000085578 [0,2,0,0,0,0|2,0,0]=4 16160 B14R0.413 CCOC(=O)CCCSCC[Si](C)(C)C 62a_100009991533_200000733723 [0,2,0,0,0,0|1,1,0]=4 16161 B14R0.413 CCOC(=O)CCCSCC[Si](C)(C)C 62a_200000733723_100009991533 [0,2,0,0,0,0|1,1,0]=4 16162 B14R0.413 CCOC(=O)CCNCCCC(F)(F)F 2230a_100000727188_100011206558 [0,2,0,0,0,0|2,0,0]=4 16163 B14R0.413 CCOC(=O)CCNCCCC(F)(F)F 34a_100000727188_100000765890 [0,2,0,0,0,0|2,0,0]=4 16164 B14R0.413 CCOC(=O)CCNCCCS(=O)(=O)C 2230a_100000742409_100011206558 [0,2,0,0,0,0|2,0,0]=4 16165 B14R0.413 CCOC(=O)CCNCCCS(=O)(=O)C 34a_100000742409_100000765890 [0,2,0,0,0,0|2,0,0]=4 16166 B14R0.413 CCOC(=O)CCNCCOC(C)(C)C 2230a_100000747557_100011206558 [0,2,0,0,0,0|2,0,0]=4 16167 B14R0.413 CCOC(=O)CCNCCSC(C)(C)C 2230a_100000689375_100011206558 [0,2,0,0,0,0|2,0,0]=4 16168 B14R0.413 CCOC(=O)CCOCCCC(F)(F)F 34a_100000749235_100000765890 [0,2,0,0,0,0|2,0,0]=4 16169 B14R0.413 CCOC(=O)CCOCCCS(=O)(=O)C 34a_100000689940_100000765890 [0,2,0,0,0,0|2,0,0]=4 16170 B14R0.413 CCOC(=O)CCOCCCS(=O)(=O)C 7a_100000689940_100011206558 [0,2,0,0,0,0|2,0,0]=4 16171 B14R0.413 CCOC(=O)CCOCCC[Si](C)(C)C 7a_200011215415_100011206558 [0,2,0,0,0,0|1,1,0]=4 16172 B14R0.413 CCOC(=O)CCOCCOC(C)(C)C 34a_100000693234_100000765890 [0,2,0,0,0,0|2,0,0]=4 16173 B14R0.413 CCOC(=O)CCOCCOC(C)(C)C 7a_100000693234_100011206558 [0,2,0,0,0,0|2,0,0]=4 16174 B14R0.413 CCOC(=O)CCSCCCC(C)(C)O 62a_100000765890_100009888830 [0,2,0,0,0,0|1,0,0]=3 16175 B14R0.413 CCOC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000765890 [0,2,0,0,0,0|1,0,0]=3 16176 B14R0.413 CCOC(=O)CCSCCCC(F)(F)F 62a_100000765890_100011216173 [0,2,0,0,0,0|2,0,0]=4 16177 B14R0.413 CCOC(=O)CCSCCCC(F)(F)F 62a_100011216173_100000765890 [0,2,0,0,0,0|2,0,0]=4 16178 B14R0.413 CCOC(=O)CCSCCCS(=O)(=O)C 62a_100000754308_100000765890 [0,2,0,0,0,0|2,0,0]=4 16179 B14R0.413 CCOC(=O)CCSCCCS(=O)(=O)C 62a_100000765890_100000754308 [0,2,0,0,0,0|2,0,0]=4 16180 B14R0.413 CCOC(=O)CCSCCC[N+](C)(C)C 62a_100000765890_100016990835 [0,2,0,0,0,0|2,0,0]=4 16181 B14R0.413 CCOC(=O)CCSCCC[N+](C)(C)C 62a_100016990835_100000765890 [0,2,0,0,0,0|2,0,0]=4 16182 B14R0.413 CCOC(=O)CCSCCC[Si](C)(C)C 62a_100000765890_100011219597 [0,2,0,0,0,0|1,1,0]=4 16183 B14R0.413 CCOC(=O)CCSCCC[Si](C)(C)C 62a_100011219597_100000765890 [0,2,0,0,0,0|1,1,0]=4 16184 B14R0.413 CCOC(=O)CNCCCOC(C)(C)C 2230a_100011250582_100000188475 [0,2,0,0,0,0|2,0,0]=4 16185 B14R0.413 CCOC(=O)COCCCCC(F)(F)F 34a_100000749236_100000188475 [0,2,0,0,0,0|2,0,0]=4 16186 B14R0.413 CCOC(=O)COCCCCC(F)(F)F 7a_100000749236_100000188475 [0,2,0,0,0,0|2,0,0]=4 16187 B14R0.413 CCOC(=O)COCCCC[Si](C)(C)C 7a_200009881916_100000188475 [0,2,0,0,0,0|1,1,0]=4 16188 B14R0.413 CCOC(=O)COCCCNC(C)(C)C 2230a_100000715429_100009893628 [0,2,0,0,0,0|2,0,0]=4 16189 B14R0.413 CCOC(=O)COCCCOC(C)(C)C 34a_100015890283_100009893628 [0,2,0,0,0,0|2,0,0]=4 16190 B14R0.413 CCOC(=O)COCCCOC(C)(C)C 7a_100015890283_100009893628 [0,2,0,0,0,0|2,0,0]=4 16191 B14R0.413 CCOC(=O)COCCCSC(C)(C)C 62a_100000211941_100009893628 [0,2,0,0,0,0|2,0,0]=4 16192 B14R0.413 CCOC(=O)COCCCSC(C)(C)C 62a_100009893628_100000211941 [0,2,0,0,0,0|2,0,0]=4 16193 B14R0.413 CCOC(=O)COCCNCC(C)(C)C 2230a_100000743828_100000088970 [0,2,0,0,0,0|2,0,0]=4 16194 B14R0.413 CCOC(=O)COCCNCC(C)(C)F 2230a_100020643315_100000088970 [0,2,0,0,0,0|2,0,0]=4 16195 B14R0.413 CCOC(=O)COCCNCC(C)(C)O 2230a_100000751335_100000088970 [0,2,0,0,0,0|2,0,0]=4 16196 B14R0.413 CCOC(=O)COCCOCC(C)(C)F 34a_100000716592_100000088970 [0,2,0,0,0,0|2,0,0]=4 16197 B14R0.413 CCOC(=O)COCCOCC(C)(F)F 34a_100000068830_100000088970 [0,2,0,0,0,0|2,0,0]=4 16198 B14R0.413 CCOC(=O)COCCSCC(C)(C)C 62a_100000088970_100011219605 [0,2,0,0,0,0|2,0,0]=4 16199 B14R0.413 CCOC(=O)COCCSCC(C)(C)C 62a_100011219605_100000088970 [0,2,0,0,0,0|2,0,0]=4 16200 B14R0.413 CCOC(=O)COCCSCC(C)(C)F 62a_100000088970_100011997219 [0,2,0,0,0,0|2,0,0]=4 16201 B14R0.413 CCOC(=O)COCCSCC(C)(C)F 62a_100011997219_100000088970 [0,2,0,0,0,0|2,0,0]=4 16202 B14R0.413 CCOC(=O)COCCSCC(C)(C)O 62a_100000088970_100000764493 [0,2,0,0,0,0|2,0,0]=4 16203 B14R0.413 CCOC(=O)COCCSCC(C)(C)O 62a_100000764493_100000088970 [0,2,0,0,0,0|2,0,0]=4 16204 B14R0.413 CCOC(=O)CSCCCCC(F)(F)F 62a_100000188475_100000692467 [0,2,0,0,0,0|2,0,0]=4 16205 B14R0.413 CCOC(=O)CSCCCCC(F)(F)F 62a_100000692467_100000188475 [0,2,0,0,0,0|2,0,0]=4 16206 B14R0.413 CCOC(=O)CSCCOCC(C)(C)O 7a_200000230590_100000764493 [0,2,0,0,0,0|2,0,0]=4 16207 B14R0.413 CCOC(=O)NCCOCCC(C)(C)C 34a_100000158857_100000755188 [0,2,0,0,0,0|2,0,0]=4 16208 B14R0.413 CCOC(=O)NCCOCCC(C)(C)C 7a_100000765024_200011445536 [0,2,0,0,0,0|2,0,0]=4 16209 B14R0.413 CCOC(=O)NCCOCCC(C)(C)O 34a_100000158857_100000702414 [0,2,0,0,0,0|2,0,0]=4 16210 B14R0.413 CCOC(=O)NCCSCCC(C)(C)C 62a_100000755188_200011445536 [0,2,0,0,0,0|2,0,0]=4 16211 B14R0.413 CCOC(=O)NCCSCCC(C)(C)O 62a_100000702414_200011445536 [0,2,0,0,0,0|2,0,0]=4 16212 B14R0.413 CCOC(=O)OCSCCCC(C)(C)O 62a_100009888830_100000075025 [0,2,0,0,0,0|2,0,0]=4 16213 B14R0.427 C=C(C)CC(=O)CCCCCCC(C)C 1458a_100000040743_100000748629 [0,2,0,0,0,0|1,0,1]=4 16214 B14R0.427 CC(=O)CCCCSCC(=O)OC(C)C 62a_100000735457_100011215430 [0,2,0,0,0,0|1,0,1]=4 16215 B14R0.427 CC(=O)CCCCSCC(=O)OC(C)C 62a_100011215430_100000735457 [0,2,0,0,0,0|1,0,1]=4 16216 B14R0.427 CC(=O)CCCOCCC(=O)OC(C)C 7a_100000759063_100000760027 [0,2,0,0,0,0|1,0,1]=4 16217 B14R0.427 CC(=O)CCCSCCC(=O)OC(C)C 62a_100000760027_100011215641 [0,2,0,0,0,0|1,0,1]=4 16218 B14R0.427 CC(=O)CCCSCCC(=O)OC(C)C 62a_100011215641_100000760027 [0,2,0,0,0,0|1,0,1]=4 16219 B14R0.427 CC(C)CCCCCCC(=O)CC(C)C 1458a_100000040743_100000210624 [0,2,0,0,0,0|1,0,0]=3 16220 B14R0.427 CC(C)CCCCCCC(=O)CC(C)O 1458a_100000040743_100011218427 [0,2,0,0,0,0|1,0,0]=3 16221 B14R0.427 CC(C)CCCCCCC(=O)CC(F)F 1458a_100000040743_100011934356 [0,2,0,0,0,0|2,0,0]=4 16222 B14R0.427 CC(C)CCCCCCC(=O)NC(C)C 11a_100138425928_100000040743 [0,2,0,0,0,0|1,0,0]=3 16223 B14R0.427 CC(C)CCCCCCC(=O)NC(C)C 1626a_100138425928_100000040743 [0,2,0,0,0,0|1,0,0]=3 16224 B14R0.427 CC(C)CCCCCCC(=O)NC(C)C 240690a_100138425928_100000040743 [0,2,0,0,0,0|1,0,0]=3 16225 B14R0.427 CC(C)CCCCCCC(=O)NC(C)C 527a_100138425928_100000040743 [0,2,0,0,0,0|1,0,0]=3 16226 B14R0.427 CC(C)CCCCCNC(=O)CC(C)C 1626a_100011290863_100000210554 [0,2,0,0,0,0|2,0,0]=4 16227 B14R0.427 CC(C)CCCCCNC(=O)CC(C)C 240690a_100011290863_100000210554 [0,2,0,0,0,0|2,0,0]=4 16228 B14R0.427 CC(C)CCCCCNC(=O)CC(C)C 527a_100011290863_100000210554 [0,2,0,0,0,0|2,0,0]=4 16229 B14R0.427 CC(C)CCCCCNC(=O)C[C@@H](C)O 240690a_100011290863_100011933948 [0,2,0,0,0,0|2,0,0]=4 16230 B14R0.427 CC(C)CCCCCNC(=O)NC(C)C 2708a_100011290863_100138425928 [0,2,0,0,0,0|2,0,0]=4 16231 B14R0.427 CC(C)CCCCCNC(=O)NC(C)C 2708a_100138425928_100011290863 [0,2,0,0,0,0|2,0,0]=4 16232 B14R0.427 CC(C)CCCCCNC(=O)NC(C)C 273464a_100138425928_100011290863 [0,2,0,0,0,0|2,0,0]=4 16233 B14R0.427 CC(C)CCCCCNC(=O)NC(C)C 512a_100011290863_100138425928 [0,2,0,0,0,0|2,0,0]=4 16234 B14R0.427 CC(C)CCCCCNC(=O)NC(C)C 512a_100138425928_100011290863 [0,2,0,0,0,0|2,0,0]=4 16235 B14R0.427 CC(C)CCCCNCC(=O)NC(C)C 2230a_100000168517_100011216152 [0,2,0,0,0,0|2,0,0]=4 16236 B14R0.427 CC(C)CCCCOCC(=O)NC(C)C 34a_100011214890_100000183996 [0,2,0,0,0,0|2,0,0]=4 16237 B14R0.427 CC(C)CCCCOCC(=O)NC(C)C 7a_100011214890_100000183996 [0,2,0,0,0,0|2,0,0]=4 16238 B14R0.427 CC(C)CCCCOCC(=O)OC(C)C 34a_100011214890_100011215430 [0,2,0,0,0,0|1,0,0]=3 16239 B14R0.427 CC(C)CCCCOCC(=O)OC(C)C 7a_100011214890_100011215430 [0,2,0,0,0,0|1,0,0]=3 16240 B14R0.427 CC(C)CCCCSCC(=O)NC(C)C 62a_100000183996_100011216152 [0,2,0,0,0,0|2,0,0]=4 16241 B14R0.427 CC(C)CCCCSCC(=O)NC(C)C 62a_100011216152_100000183996 [0,2,0,0,0,0|2,0,0]=4 16242 B14R0.427 CC(C)CCCCSCC(=O)OC(C)C 62a_100011215430_100011216152 [0,2,0,0,0,0|1,0,0]=3 16243 B14R0.427 CC(C)CCCCSCC(=O)OC(C)C 62a_100011216152_100011215430 [0,2,0,0,0,0|1,0,0]=3 16244 B14R0.427 CC(C)CCCNCCC(=O)NC(C)C 2230a_200000737386_100000737564 [0,2,0,0,0,0|2,0,0]=4 16245 B14R0.427 CC(C)CCCNCCC(=O)OC(C)C 2230a_200000737386_100000760027 [0,2,0,0,0,0|1,0,0]=3 16246 B14R0.427 CC(C)CCCOCCC(=O)NC(C)C 7a_100000210774_100000737564 [0,2,0,0,0,0|2,0,0]=4 16247 B14R0.427 CC(C)CCCOCCC(=O)OC(C)C 7a_100000210774_100000760027 [0,2,0,0,0,0|1,0,0]=3 16248 B14R0.427 CC(C)CCCSCCC(=O)NC(C)C 62a_100000737564_100011214892 [0,2,0,0,0,0|2,0,0]=4 16249 B14R0.427 CC(C)CCCSCCC(=O)NC(C)C 62a_100011214892_100000737564 [0,2,0,0,0,0|2,0,0]=4 16250 B14R0.427 CC(C)CCCSCCC(=O)OC(C)C 62a_100000760027_100011214892 [0,2,0,0,0,0|1,0,0]=3 16251 B14R0.427 CC(C)CCCSCCC(=O)OC(C)C 62a_100011214892_100000760027 [0,2,0,0,0,0|1,0,0]=3 16252 B14R0.427 CC(C)CCCSCOC(=O)OC(C)C 62a_100000003507_100011214892 [0,2,0,0,0,0|2,0,0]=4 16253 B14R0.427 CC(C)CCCSCOC(=O)OC(C)C 62a_100011214892_100000003507 [0,2,0,0,0,0|2,0,0]=4 16254 B14R0.427 CC(C)CNCCOCC(=O)OC(C)C 34a_100015185251_100011215430 [0,2,0,0,0,0|2,0,0]=4 16255 B14R0.427 CC(C)COCCOCC(=O)OC(C)C 34a_100000703358_100011215430 [0,2,0,0,0,0|2,0,0]=4 16256 B14R0.427 CC(C)COCCOCC(=O)OC(C)C 7a_100000703358_100011215430 [0,2,0,0,0,0|2,0,0]=4 16257 B14R0.427 CC(C)CSCCOCC(=O)OC(C)C 34a_200000230437_100011215430 [0,2,0,0,0,0|2,0,0]=4 16258 B14R0.427 CC(C)CSCCOCC(=O)OC(C)C 7a_200000230437_100011215430 [0,2,0,0,0,0|2,0,0]=4 16259 B14R0.427 CC(C)NCCCCCC(=O)OC(C)C 2230a_100138425928_200010986244 [0,2,0,0,0,0|1,0,0]=3 16260 B14R0.427 CC(C)NCCCCCC(=O)OC(C)C 34a_100138425928_200010986244 [0,2,0,0,0,0|1,0,0]=3 16261 B14R0.427 CC(C)NCCCOCC(=O)OC(C)C 34a_100000182298_100011215430 [0,2,0,0,0,0|2,0,0]=4 16262 B14R0.427 CC(C)OC(=O)CCCCCSC(C)C 62a_100000210206_200010986244 [0,2,0,0,0,0|1,0,0]=3 16263 B14R0.427 CC(C)OC(=O)CCCCCSC(C)C 62a_200010986244_100000210206 [0,2,0,0,0,0|1,0,0]=3 16264 B14R0.427 CC(C)OC(=O)CCNCCCS(=O)C 2230a_200000753449_100000760027 [0,2,0,0,0,0|2,0,0]=4 16265 B14R0.427 CC(C)OC(=O)CCNCCSC(C)C 2230a_100000731138_100000760027 [0,2,0,0,0,0|2,0,0]=4 16266 B14R0.427 CC(C)OC(=O)CCOCCSC(C)C 7a_200011212901_100000760027 [0,2,0,0,0,0|2,0,0]=4 16267 B14R0.427 CC(C)OC(=O)CCSCCCN(C)C 62a_100000760027_100000757444 [0,2,0,0,0,0|2,0,0]=4 16268 B14R0.427 CC(C)OC(=O)CCSCCSC(C)C 62a_100000730970_100000760027 [0,2,0,0,0,0|2,0,0]=4 16269 B14R0.427 CC(C)OC(=O)CCSCCSC(C)C 62a_100000760027_100000730970 [0,2,0,0,0,0|2,0,0]=4 16270 B14R0.427 CC(C)OC(=O)CSCCCCN(C)C 62a_100011215430_100000690147 [0,2,0,0,0,0|2,0,0]=4 16271 B14R0.427 CC(C)OCCCCCC(=O)OC(C)C 34a_100000212225_200010986244 [0,2,0,0,0,0|1,0,0]=3 16272 B14R0.427 CC(C)OCCCNCC(=O)OC(C)C 2230a_100000737246_100011215430 [0,2,0,0,0,0|2,0,0]=4 16273 B14R0.427 CC(C)OCCCNCC(=O)OC(C)C 34a_100000737246_100011215430 [0,2,0,0,0,0|2,0,0]=4 16274 B14R0.427 CC(C)OCCNCCC(=O)OC(C)C 2230a_100000701111_100000760027 [0,2,0,0,0,0|2,0,0]=4 16275 B14R0.427 CC(C)OCCOCCC(=O)OC(C)C 7a_100000211219_100000760027 [0,2,0,0,0,0|2,0,0]=4 16276 B14R0.427 CC(C)OCCSCCC(=O)OC(C)C 62a_100000211751_100000760027 [0,2,0,0,0,0|2,0,0]=4 16277 B14R0.427 CC(C)OCCSCCC(=O)OC(C)C 62a_100000760027_100000211751 [0,2,0,0,0,0|2,0,0]=4 16278 B14R0.427 CC(O)CCCSCCC(=O)NC(C)C 62a_100000737564_200000718107 [0,2,0,0,0,0|2,0,0]=4 16279 B14R0.427 CC(O)CCCSCCC(=O)NC(C)C 62a_200000718107_100000737564 [0,2,0,0,0,0|2,0,0]=4 16280 B14R0.427 CC(O)CCCSCCC(=O)OC(C)C 62a_100000760027_200000718107 [0,2,0,0,0,0|1,0,0]=3 16281 B14R0.427 CC(O)CCCSCCC(=O)OC(C)C 62a_200000718107_100000760027 [0,2,0,0,0,0|1,0,0]=3 16282 B14R0.427 CC(O)CCCSCOC(=O)OC(C)C 62a_100000003507_200000718107 [0,2,0,0,0,0|2,0,0]=4 16283 B14R0.427 CC(O)CCCSCOC(=O)OC(C)C 62a_200000718107_100000003507 [0,2,0,0,0,0|2,0,0]=4 16284 B14R0.431 C=C(C)CCOC(C)CCC(=O)OCC 34a_100000764851_100000748298 [0,2,0,0,0,0|1,0,1]=4 16285 B14R0.431 C=C(C)CCSC(C)CCC(=O)OCC 62a_100000730704_100000748298 [0,2,0,0,0,0|1,0,1]=4 16286 B14R0.431 C=C(C)CCSC(C)CCC(=O)OCC 62a_100000748298_100000730704 [0,2,0,0,0,0|1,0,1]=4 16287 B14R0.431 CC#CC(=O)CCC(C)CCCC(C)C 1458a_100000763181_100009816328 [0,2,0,0,0,0|1,0,1]=4 16288 B14R0.431 CC(C)CCCC(C)CCC(=O)CCO 1458a_100011216618_100009816328 [0,2,0,0,0,0|2,0,0]=4 16289 B14R0.431 CC=CC(=O)CCC(C)CCCC(C)C 1458a_100000210699_100009816328 [0,2,0,0,0,0|1,0,1]=4 16290 B14R0.431 CCCC(=O)CCC(C)CCCC(C)C 1458a_100000211992_100009816328 [0,2,0,0,0,0|1,0,0]=3 16291 B14R0.431 CCCC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747444 [0,2,0,0,0,0|2,0,0]=4 16292 B14R0.431 CCCC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747444 [0,2,0,0,0,0|2,0,0]=4 16293 B14R0.431 CCNC(=O)CCC(=O)CCCC(C)C 1458a_100000199579_100011214892 [0,2,0,0,0,0|1,0,1]=4 16294 B14R0.431 CCNC(=O)CCC(=O)CCCC(C)O 1458a_100000199579_200000718107 [0,2,0,0,0,0|1,0,1]=4 16295 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000183381 [0,2,0,0,0,0|2,0,0]=4 16296 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C 270004a_100016988866_100000753411 [0,2,0,0,0,0|2,0,0]=4 16297 B14R0.431 CCNC(=O)COC(C)CCCC(C)C 34a_200011218570_100000183381 [0,2,0,0,0,0|2,0,0]=4 16298 B14R0.431 CCNC(=O)COC(C)CCCC(C)C 7a_200011218570_100000183381 [0,2,0,0,0,0|2,0,0]=4 16299 B14R0.431 CCOC(=O)CCC(=O)CCCC(=O)C 1458a_100000183558_100011215641 [0,2,0,0,0,0|0,0,2]=4 16300 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)C 1458a_100000183558_100011214892 [0,2,0,0,0,0|0,0,1]=3 16301 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)O 1458a_100000183558_200000718107 [0,2,0,0,0,0|0,0,1]=3 16302 B14R0.431 CCOC(=O)CCC(=O)CCCN(C)C 1458a_100000183558_100000695564 [0,2,0,0,0,0|1,0,1]=4 16303 B14R0.431 CCOC(=O)CCC(=O)CCOC(C)C 1458a_100000183558_100000211751 [0,2,0,0,0,0|1,0,1]=4 16304 B14R0.431 CCOC(=O)CCC(=O)CCSC(C)C 1458a_100000183558_100000730970 [0,2,0,0,0,0|1,0,1]=4 16305 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000183558 [0,2,0,0,0,0|1,0,1]=4 16306 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000183558 [0,2,0,0,0,0|1,0,1]=4 16307 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000183558 [0,2,0,0,0,0|1,0,1]=4 16308 B14R0.431 CCOC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100000183558 [0,2,0,0,0,0|1,0,1]=4 16309 B14R0.431 CCOC(=O)CCC(C)NCCC(C)O 2230a_200000755665_100000748298 [0,2,0,0,0,0|1,0,0]=3 16310 B14R0.431 CCOC(=O)CCC(C)OCCC(=O)C 34a_100000759926_100000748298 [0,2,0,0,0,0|1,0,1]=4 16311 B14R0.431 CCOC(=O)CCC(C)OCCC(=O)C 7a_100000759926_100000748298 [0,2,0,0,0,0|1,0,1]=4 16312 B14R0.431 CCOC(=O)CCC(C)OCCC(C)Br 34a_100009893172_100000748298 [0,2,0,0,0,0|1,0,0]=3 16313 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 34a_100000210254_100000748298 [0,2,0,0,0,0|1,0,0]=3 16314 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 7a_100000210254_100000748298 [0,2,0,0,0,0|1,0,0]=3 16315 B14R0.431 CCOC(=O)CCC(C)OCCC(F)F 34a_100103093639_100000748298 [0,2,0,0,0,0|2,0,0]=4 16316 B14R0.431 CCOC(=O)CCC(C)OCC[C@@H](C)N 34a_100000706166_100000748298 [0,2,0,0,0,0|1,0,0]=3 16317 B14R0.431 CCOC(=O)CCC(C)SCCC(=O)C 62a_100000053229_100000748298 [0,2,0,0,0,0|1,0,1]=4 16318 B14R0.431 CCOC(=O)CCC(C)SCCC(=O)C 62a_100000748298_100000053229 [0,2,0,0,0,0|1,0,1]=4 16319 B14R0.431 CCOC(=O)CCC(C)SCCC(C)C 62a_100000210312_100000748298 [0,2,0,0,0,0|1,0,0]=3 16320 B14R0.431 CCOC(=O)CCC(C)SCCC(C)C 62a_100000748298_100000210312 [0,2,0,0,0,0|1,0,0]=3 16321 B14R0.431 CCOC(=O)CCC(C)SCCC(C)O 62a_100000748298_100012276601 [0,2,0,0,0,0|1,0,0]=3 16322 B14R0.431 CCOC(=O)CCC(C)SCCC(C)O 62a_100012276601_100000748298 [0,2,0,0,0,0|1,0,0]=3 16323 B14R0.431 CCOC(=O)CCC(C)SCCN(C)C 62a_100000748298_100000755713 [0,2,0,0,0,0|2,0,0]=4 16324 B14R0.431 CCOC(=O)CCC(C)SCOC(C)C 62a_100000709892_100000748298 [0,2,0,0,0,0|2,0,0]=4 16325 B14R0.431 CCOC(=O)CCC(C)SCOC(C)C 62a_100000748298_100000709892 [0,2,0,0,0,0|2,0,0]=4 16326 B14R0.431 CCOC(=O)CCN(C)CCCC(=O)C 269982a_100000745921_100011215641 [0,2,0,0,0,0|1,0,1]=4 16327 B14R0.431 CCOC(=O)CCN(C)CCCC(C)C 2230a_100000745921_100011214892 [0,2,0,0,0,0|1,0,0]=3 16328 B14R0.431 CCOC(=O)CCN(C)CCCC(C)C 269982a_100000745921_100011214892 [0,2,0,0,0,0|1,0,0]=3 16329 B14R0.431 CCOC(=O)CCN(C)CCCC(C)O 2230a_100000745921_200000718107 [0,2,0,0,0,0|1,0,0]=3 16330 B14R0.431 CCOC(=O)CCN(C)CCCC(C)O 269982a_100000745921_200000718107 [0,2,0,0,0,0|1,0,0]=3 16331 B14R0.431 CCOC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100011206558 [0,2,0,0,0,0|2,0,0]=4 16332 B14R0.431 CCOC(=O)CCN(C)CCCN(C)C 269982a_100000745921_100000757444 [0,2,0,0,0,0|2,0,0]=4 16333 B14R0.431 CCOC(=O)CCN(C)CCOC(C)C 2230a_100000745921_100000211751 [0,2,0,0,0,0|2,0,0]=4 16334 B14R0.431 CCOC(=O)CCN(C)CCOC(C)C 269982a_100000745921_100000211751 [0,2,0,0,0,0|2,0,0]=4 16335 B14R0.431 CCOC(=O)CCN(C)CCSC(C)C 2230a_100000745921_100000730970 [0,2,0,0,0,0|2,0,0]=4 16336 B14R0.431 CCOC(=O)CCN(C)CCSC(C)C 269982a_100000745921_100000730970 [0,2,0,0,0,0|2,0,0]=4 16337 B14R0.431 CCOC(=O)CNC(=O)CCCC(C)C 188690a_100000741813_100011216857 [0,2,0,0,0,0|1,0,1]=4 16338 B14R0.431 CCOC(=O)CNC(=O)CCCC(C)O 188690a_100000741813_100000761597 [0,2,0,0,0,0|1,0,1]=4 16339 B14R0.431 CCOC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000188475 [0,2,0,0,0,0|1,0,0]=3 16340 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 34a_200011218570_100000188475 [0,2,0,0,0,0|1,0,0]=3 16341 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 7a_200011218570_100000188475 [0,2,0,0,0,0|1,0,0]=3 16342 B14R0.431 CCOC(=O)NCC(=O)CCCC(C)C 1458a_100000190774_100011214892 [0,2,0,0,0,0|1,0,1]=4 16343 B14R0.431 CCOC(=O)NCC(=O)CCCC(C)O 1458a_100000190774_200000718107 [0,2,0,0,0,0|1,0,1]=4 16344 B14R0.431 COCC(=O)CCC(C)CCCC(C)C 1458a_100000210968_100009816328 [0,2,0,0,0,0|2,0,0]=4 16345 B14R0.431 CSCC(=O)CCC(C)CCCC(C)C 1458a_100000184570_100009816328 [0,2,0,0,0,0|2,0,0]=4 16346 B14R0.436 C=C(C)CC(=O)CCCCC(=O)OCC 1458a_100011217402_100000748629 [0,2,0,0,0,0|0,0,2]=4 16347 B14R0.436 C=C(C)CN(C)CCCCC(=O)OCC 2230a_100000225649_100000750268 [0,2,0,0,0,0|1,0,1]=4 16348 B14R0.436 C=C(C)CN(C)CCCCC(=O)OCC 269982a_100000225649_100000750268 [0,2,0,0,0,0|1,0,1]=4 16349 B14R0.436 CCCC(=O)CSCCC(=O)OC(C)C 62a_100000747444_100000760027 [0,2,0,0,0,0|1,0,1]=4 16350 B14R0.436 CCCC(=O)CSCCC(=O)OC(C)C 62a_100000760027_100000747444 [0,2,0,0,0,0|1,0,1]=4 16351 B14R0.436 CCCC(C)CCOCC(=O)NC(C)C 34a_100011217855_100000183996 [0,2,0,0,0,0|2,0,0]=4 16352 B14R0.436 CCCC(C)CCOCC(=O)NC(C)C 7a_100011217855_100000183996 [0,2,0,0,0,0|2,0,0]=4 16353 B14R0.436 CCCC(C)CCOCC(=O)OC(C)C 34a_100011217855_100011215430 [0,2,0,0,0,0|1,0,0]=3 16354 B14R0.436 CCCC(C)CCOCC(=O)OC(C)C 7a_100011217855_100011215430 [0,2,0,0,0,0|1,0,0]=3 16355 B14R0.436 CCCC(C)COCCC(=O)NC(C)C 7a_100000688023_100000737564 [0,2,0,0,0,0|2,0,0]=4 16356 B14R0.436 CCCC(C)COCCC(=O)OC(C)C 7a_100000688023_100000760027 [0,2,0,0,0,0|1,0,0]=3 16357 B14R0.436 CCCC(C)CSCCC(=O)NC(C)C 62a_100000737564_100011216630 [0,2,0,0,0,0|2,0,0]=4 16358 B14R0.436 CCCC(C)CSCCC(=O)NC(C)C 62a_100011216630_100000737564 [0,2,0,0,0,0|2,0,0]=4 16359 B14R0.436 CCCC(C)CSCCC(=O)OC(C)C 62a_100000760027_100011216630 [0,2,0,0,0,0|1,0,0]=3 16360 B14R0.436 CCCC(C)CSCCC(=O)OC(C)C 62a_100011216630_100000760027 [0,2,0,0,0,0|1,0,0]=3 16361 B14R0.436 CCCC(C)CSCOC(=O)OC(C)C 62a_100000003507_100011216630 [0,2,0,0,0,0|2,0,0]=4 16362 B14R0.436 CCCC(C)CSCOC(=O)OC(C)C 62a_100011216630_100000003507 [0,2,0,0,0,0|2,0,0]=4 16363 B14R0.436 CCC[C@H](N)CCOCC(=O)NC(C)C 34a_100015193777_100000183996 [0,2,0,0,0,0|2,0,0]=4 16364 B14R0.436 CCC[C@H](N)CCOCC(=O)OC(C)C 34a_100015193777_100011215430 [0,2,0,0,0,0|1,0,0]=3 16365 B14R0.436 CCNC(=O)COCC[C@@H](N)CC(C)C 34a_100161151251_100000183381 [0,2,0,0,0,0|2,0,0]=4 16366 B14R0.436 CCOC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000750268 [0,2,0,0,0,0|0,0,1]=3 16367 B14R0.436 CCOC(=O)CCCCC(=O)CC(C)C 1458a_100011217402_100000210624 [0,2,0,0,0,0|0,0,1]=3 16368 B14R0.436 CCOC(=O)CCCCC(=O)CC(C)O 1458a_100011217402_100011218427 [0,2,0,0,0,0|0,0,1]=3 16369 B14R0.436 CCOC(=O)CCCCC(=O)CC(F)F 1458a_100011217402_100011934356 [0,2,0,0,0,0|1,0,1]=4 16370 B14R0.436 CCOC(=O)CCCCC(=O)CN(C)C 1458a_100000750896_100000750268 [0,2,0,0,0,0|1,0,1]=4 16371 B14R0.436 CCOC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000750268 [0,2,0,0,0,0|0,0,1]=3 16372 B14R0.436 CCOC(=O)CCCCC(=O)C[S+](C)C 1458a_200159257847_100000750268 [0,2,0,0,0,0|1,0,1]=4 16373 B14R0.436 CCOC(=O)CCCCC(=O)NC(C)C 11a_100138425928_100011217402 [0,2,0,0,0,0|1,0,1]=4 16374 B14R0.436 CCOC(=O)CCCCC(=O)NC(C)C 1626a_100138425928_100011217402 [0,2,0,0,0,0|1,0,1]=4 16375 B14R0.436 CCOC(=O)CCCCC(=O)NC(C)C 240690a_100138425928_100011217402 [0,2,0,0,0,0|1,0,1]=4 16376 B14R0.436 CCOC(=O)CCCCC(=O)NC(C)C 527a_100138425928_100011217402 [0,2,0,0,0,0|1,0,1]=4 16377 B14R0.436 CCOC(=O)CCCCN(C)CC(C)C 2230a_100000747067_100000750268 [0,2,0,0,0,0|1,0,0]=3 16378 B14R0.436 CCOC(=O)CCCCN(C)CC(C)C 269982a_100000747067_100000750268 [0,2,0,0,0,0|1,0,0]=3 16379 B14R0.436 CCOC(=O)CCCCN(C)CC(C)O 2230a_100000227577_100000750268 [0,2,0,0,0,0|1,0,0]=3 16380 B14R0.436 CCOC(=O)CCCCN(C)CC(C)O 269982a_100000227577_100000750268 [0,2,0,0,0,0|1,0,0]=3 16381 B14R0.436 CCOC(=O)CCCNC(=O)CC(C)C 188690a_100000211256_100000210554 [0,2,0,0,0,0|1,0,1]=4 16382 B14R0.436 CCOC(=O)CCCNC(=O)C[C@@H](C)O 188690a_100000211256_100011933948 [0,2,0,0,0,0|1,0,1]=4 16383 B14R0.436 CCOC(=O)CCCNC(C)CC(C)C 2230a_100000692259_100009991533 [0,2,0,0,0,0|1,0,0]=3 16384 B14R0.436 CCOC(=O)CCCOC(C)CC(C)C 34a_100000211805_100009991533 [0,2,0,0,0,0|1,0,0]=3 16385 B14R0.436 CCOC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215271 [0,2,0,0,0,0|1,0,0]=3 16386 B14R0.436 CCOC(=O)CCCOC(C)CC(C)C 7a_100012001163_100000731052 [0,2,0,0,0,0|1,0,0]=3 16387 B14R0.436 CCOC(=O)CCCSC(C)CC(C)C 62a_100000731052_100009991533 [0,2,0,0,0,0|1,0,0]=3 16388 B14R0.436 CCOC(=O)CCCSC(C)CC(C)C 62a_100009991533_100000731052 [0,2,0,0,0,0|1,0,0]=3 16389 B14R0.436 CCOC(=O)CCCSC(C)CN(C)C 62a_100009991533_100020606517 [0,2,0,0,0,0|2,0,0]=4 16390 B14R0.436 CCOC(=O)CCCSC(C)CN(C)C 62a_100020606517_100009991533 [0,2,0,0,0,0|2,0,0]=4 16391 B14R0.436 CCOC(=O)CCOC[C@@H](N)CC(C)C 34a_100011830311_100000765890 [0,2,0,0,0,0|1,0,0]=3 16392 B14R0.436 CCOC(=O)CCSCC(C)CN(C)C 62a_100000765890_100015348159 [0,2,0,0,0,0|2,0,0]=4 16393 B14R0.436 CCOC(=O)CCSCC(C)CN(C)C 62a_100015348159_100000765890 [0,2,0,0,0,0|2,0,0]=4 16394 B14R0.436 CCOC(=O)COCCC(=O)CC(C)C 1458a_100000210554_100000088970 [0,2,0,0,0,0|1,0,1]=4 16395 B14R0.436 CCOC(=O)COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000088970 [0,2,0,0,0,0|1,0,1]=4 16396 B14R0.436 CCOC(=O)COCCN(C)CC(C)C 2230a_100000747067_100000088970 [0,2,0,0,0,0|2,0,0]=4 16397 B14R0.436 CCOC(=O)COCCN(C)CC(C)C 269982a_100000747067_100000088970 [0,2,0,0,0,0|2,0,0]=4 16398 B14R0.436 CCOC(=O)COCCN(C)CC(C)O 2230a_100000227577_100000088970 [0,2,0,0,0,0|2,0,0]=4 16399 B14R0.436 CCOC(=O)COCCN(C)CC(C)O 269982a_100000227577_100000088970 [0,2,0,0,0,0|2,0,0]=4 16400 B14R0.436 CCOC(=O)COCC[C@@H](N)CC(C)C 34a_100161151251_100000188475 [0,2,0,0,0,0|1,0,0]=3 16401 B14R0.436 CCOC(=O)NCCOC(C)CC(C)C 34a_100000158857_100000731052 [0,2,0,0,0,0|2,0,0]=4 16402 B14R0.436 CCOC(=O)NCCOC(C)CC(C)C 7a_100000211805_200011445536 [0,2,0,0,0,0|2,0,0]=4 16403 B14R0.436 CCOC(=O)NCCSC(C)CC(C)C 62a_100000731052_200011445536 [0,2,0,0,0,0|2,0,0]=4 16404 B14R0.436 COCC(O)CNCCC(=O)OC(C)C 2230a_100000756049_100000760027 [0,2,0,0,0,0|2,0,0]=4 16405 B14R0.436 COCC(O)CSCCC(=O)OC(C)C 62a_100000760027_100011215053 [0,2,0,0,0,0|2,0,0]=4 16406 B14R0.436 COCC(O)CSCCC(=O)OC(C)C 62a_100011215053_100000760027 [0,2,0,0,0,0|2,0,0]=4 16407 B14R0.2863 C=C(C)CCOC[C@@H](O)CC(=O)OCC 34a_100000764851_100000688340 [0,2,0,0,0,0|1,0,1]=4 16408 B14R0.2863 C=C(C)CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000730704 [0,2,0,0,0,0|1,0,1]=4 16409 B14R0.2863 C=C(C)CCSC[C@@H](O)CC(=O)OCC 62a_100000730704_100000688340 [0,2,0,0,0,0|1,0,1]=4 16410 B14R0.2863 CCCC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747444 [0,2,0,0,0,0|1,0,1]=4 16411 B14R0.2863 CCNC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000183381 [0,2,0,0,0,0|1,0,1]=4 16412 B14R0.2863 CCNC(=O)CN(C)CCCCC(C)C 2230a_100000741943_100011216152 [0,2,0,0,0,0|2,0,0]=4 16413 B14R0.2863 CCNC(=O)CN(C)CCCCC(C)C 269982a_100000741943_100011216152 [0,2,0,0,0,0|2,0,0]=4 16414 B14R0.2863 CCOC(=O)CC(=O)CCCCC(=O)C 1458a_100000243816_100000735457 [0,2,0,0,0,0|0,0,2]=4 16415 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100000243816_100011216152 [0,2,0,0,0,0|0,0,1]=3 16416 B14R0.2863 CCOC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000188475 [0,2,0,0,0,0|0,0,1]=3 16417 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)C 62a_100000210311_100000210312 [0,2,0,0,0,0|1,0,1]=4 16418 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)C 62a_100000210312_100000210311 [0,2,0,0,0,0|1,0,1]=4 16419 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)O 62a_100000210311_100012276601 [0,2,0,0,0,0|1,0,1]=4 16420 B14R0.2863 CCOC(=O)CC(=O)CSCCC(C)O 62a_100012276601_100000210311 [0,2,0,0,0,0|1,0,1]=4 16421 B14R0.2863 CCOC(=O)CC(=O)NCCCC(C)C 240690a_200000737386_100000243816 [0,2,0,0,0,0|1,0,1]=4 16422 B14R0.2863 CCOC(=O)CC(C)NCCCC(C)C 2230a_200000737386_100009817359 [0,2,0,0,0,0|1,0,0]=3 16423 B14R0.2863 CCOC(=O)CC(C)NCCCS(=O)C 2230a_200000753449_100009817359 [0,2,0,0,0,0|2,0,0]=4 16424 B14R0.2863 CCOC(=O)CC(C)NCCOC(C)C 2230a_100000701111_100009817359 [0,2,0,0,0,0|2,0,0]=4 16425 B14R0.2863 CCOC(=O)CC(C)NCCSC(C)C 2230a_100000731138_100009817359 [0,2,0,0,0,0|2,0,0]=4 16426 B14R0.2863 CCOC(=O)CC(C)OCCCC(=O)C 7a_100000759063_100009817359 [0,2,0,0,0,0|1,0,1]=4 16427 B14R0.2863 CCOC(=O)CC(C)OCCCC(C)C 7a_100000210774_100009817359 [0,2,0,0,0,0|1,0,0]=3 16428 B14R0.2863 CCOC(=O)CC(C)OCCOC(C)C 7a_100000211219_100009817359 [0,2,0,0,0,0|2,0,0]=4 16429 B14R0.2863 CCOC(=O)CC(C)OCCSC(C)C 7a_200011212901_100009817359 [0,2,0,0,0,0|2,0,0]=4 16430 B14R0.2863 CCOC(=O)CC(C)SCCCC(=O)C 62a_100009817359_100011215641 [0,2,0,0,0,0|1,0,1]=4 16431 B14R0.2863 CCOC(=O)CC(C)SCCCC(=O)C 62a_100011215641_100009817359 [0,2,0,0,0,0|1,0,1]=4 16432 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)C 62a_100009817359_100011214892 [0,2,0,0,0,0|1,0,0]=3 16433 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)C 62a_100011214892_100009817359 [0,2,0,0,0,0|1,0,0]=3 16434 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)O 62a_100009817359_200000718107 [0,2,0,0,0,0|1,0,0]=3 16435 B14R0.2863 CCOC(=O)CC(C)SCCCC(C)O 62a_200000718107_100009817359 [0,2,0,0,0,0|1,0,0]=3 16436 B14R0.2863 CCOC(=O)CC(C)SCCCN(C)C 62a_100009817359_100000757444 [0,2,0,0,0,0|2,0,0]=4 16437 B14R0.2863 CCOC(=O)CC(C)SCCOC(C)C 62a_100000211751_100009817359 [0,2,0,0,0,0|2,0,0]=4 16438 B14R0.2863 CCOC(=O)CC(C)SCCOC(C)C 62a_100009817359_100000211751 [0,2,0,0,0,0|2,0,0]=4 16439 B14R0.2863 CCOC(=O)CC(C)SCCSC(C)C 62a_100000730970_100009817359 [0,2,0,0,0,0|2,0,0]=4 16440 B14R0.2863 CCOC(=O)CC(C)SCCSC(C)C 62a_100009817359_100000730970 [0,2,0,0,0,0|2,0,0]=4 16441 B14R0.2863 CCOC(=O)CN(C)CCCCC(C)C 2230a_100000220588_100011216152 [0,2,0,0,0,0|1,0,0]=3 16442 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(=O)C 7a_100009816390_100011215641 [0,2,0,0,0,0|1,0,1]=4 16443 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(C)C 7a_100009816390_100011214892 [0,2,0,0,0,0|1,0,0]=3 16444 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCC(C)O 7a_100009816390_200000718107 [0,2,0,0,0,0|1,0,0]=3 16445 B14R0.2863 CCOC(=O)C[C@@H](C)OCCCN(C)C 7a_100009816390_100000757444 [0,2,0,0,0,0|2,0,0]=4 16446 B14R0.2863 CCOC(=O)C[C@@H](C)OCCOC(C)C 7a_100009816390_100000211751 [0,2,0,0,0,0|2,0,0]=4 16447 B14R0.2863 CCOC(=O)C[C@@H](C)OCCSC(C)C 7a_100009816390_100000730970 [0,2,0,0,0,0|2,0,0]=4 16448 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(=O)C 34a_100000759926_100000688340 [0,2,0,0,0,0|1,0,1]=4 16449 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(=O)C 7a_100000759926_100000688340 [0,2,0,0,0,0|1,0,1]=4 16450 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)Br 34a_100009893172_100000688340 [0,2,0,0,0,0|1,0,0]=3 16451 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)C 34a_100000210254_100000688340 [0,2,0,0,0,0|1,0,0]=3 16452 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(C)C 7a_100000210254_100000688340 [0,2,0,0,0,0|1,0,0]=3 16453 B14R0.2863 CCOC(=O)C[C@H](O)COCCC(F)F 34a_100103093639_100000688340 [0,2,0,0,0,0|2,0,0]=4 16454 B14R0.2863 CCOC(=O)C[C@H](O)COCC[C@@H](C)N 34a_100000706166_100000688340 [0,2,0,0,0,0|1,0,0]=3 16455 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(=O)C 62a_100000053229_100000688340 [0,2,0,0,0,0|1,0,1]=4 16456 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(=O)C 62a_100000688340_100000053229 [0,2,0,0,0,0|1,0,1]=4 16457 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)C 62a_100000210312_100000688340 [0,2,0,0,0,0|1,0,0]=3 16458 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)C 62a_100000688340_100000210312 [0,2,0,0,0,0|1,0,0]=3 16459 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)O 62a_100000688340_100012276601 [0,2,0,0,0,0|1,0,0]=3 16460 B14R0.2863 CCOC(=O)C[C@H](O)CSCCC(C)O 62a_100012276601_100000688340 [0,2,0,0,0,0|1,0,0]=3 16461 B14R0.2863 CCOC(=O)C[C@H](O)CSCCN(C)C 62a_100000688340_100000755713 [0,2,0,0,0,0|2,0,0]=4 16462 B14R0.2863 CCOC(=O)C[C@H](O)CSCOC(C)C 62a_100000688340_100000709892 [0,2,0,0,0,0|2,0,0]=4 16463 B14R0.2863 CCOC(=O)C[C@H](O)CSCOC(C)C 62a_100000709892_100000688340 [0,2,0,0,0,0|2,0,0]=4 16464 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)C 62a_100000036008_100011214892 [0,2,0,0,0,0|2,0,0]=4 16465 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)C 62a_100011214892_100000036008 [0,2,0,0,0,0|2,0,0]=4 16466 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)O 62a_100000036008_200000718107 [0,2,0,0,0,0|2,0,0]=4 16467 B14R0.2863 CCOC(=O)OC(C)SCCCC(C)O 62a_200000718107_100000036008 [0,2,0,0,0,0|2,0,0]=4 16468 B14R0.75 CC(C)OC(=O)CCOC(C)CCCCl 7a_200000718107_100000760027 [0,2,0,0,0,0|2,0,0]=4 16469 B14R0.75 CC(C)OC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100011215430 [0,2,0,0,0,0|2,0,0]=4 16470 B14R0.75 CC(C)OC(=O)CNC[C@H](C)CCCO 34a_100160569302_100011215430 [0,2,0,0,0,0|2,0,0]=4 16471 B14R0.75 CCCCC(C)COCC(=O)NC(C)C 34a_100011995851_100000183996 [0,2,0,0,0,0|2,0,0]=4 16472 B14R0.75 CCCCC(C)COCC(=O)NC(C)C 7a_100011995851_100000183996 [0,2,0,0,0,0|2,0,0]=4 16473 B14R0.75 CCCCC(C)COCC(=O)OC(C)C 34a_100011995851_100011215430 [0,2,0,0,0,0|1,0,0]=3 16474 B14R0.75 CCCCC(C)COCC(=O)OC(C)C 7a_100011995851_100011215430 [0,2,0,0,0,0|1,0,0]=3 16475 B14R0.75 CCCCC(C)NCCC(=O)NC(C)C 2230a_100000126638_100000737564 [0,2,0,0,0,0|2,0,0]=4 16476 B14R0.75 CCCCC(C)NCCC(=O)OC(C)C 2230a_100000126638_100000760027 [0,2,0,0,0,0|1,0,0]=3 16477 B14R0.75 CCCCC(C)OCCC(=O)NC(C)C 7a_100000687866_100000737564 [0,2,0,0,0,0|2,0,0]=4 16478 B14R0.75 CCCCC(C)OCCC(=O)OC(C)C 7a_100000687866_100000760027 [0,2,0,0,0,0|1,0,0]=3 16479 B14R0.75 CCCCC(C)SCCC(=O)NC(C)C 62a_100000737564_200011215066 [0,2,0,0,0,0|2,0,0]=4 16480 B14R0.75 CCCCC(C)SCCC(=O)NC(C)C 62a_200011215066_100000737564 [0,2,0,0,0,0|2,0,0]=4 16481 B14R0.75 CCCCC(C)SCCC(=O)OC(C)C 62a_100000760027_200011215066 [0,2,0,0,0,0|1,0,0]=3 16482 B14R0.75 CCCCC(C)SCCC(=O)OC(C)C 62a_200011215066_100000760027 [0,2,0,0,0,0|1,0,0]=3 16483 B14R0.75 CCCCC(C)SCOC(=O)OC(C)C 62a_100000003507_200011215066 [0,2,0,0,0,0|2,0,0]=4 16484 B14R0.75 CCCCC(C)SCOC(=O)OC(C)C 62a_200011215066_100000003507 [0,2,0,0,0,0|2,0,0]=4 16485 B14R0.75 CCCC[C@H](N)COCC(=O)NC(C)C 34a_100011934283_100000183996 [0,2,0,0,0,0|2,0,0]=4 16486 B14R0.75 CCCC[C@H](N)COCC(=O)OC(C)C 34a_100011934283_100011215430 [0,2,0,0,0,0|1,0,0]=3 16487 B14R0.75 CCCOC(C)CNCC(=O)OC(C)C 2230a_100015185124_100011215430 [0,2,0,0,0,0|2,0,0]=4 16488 B14R0.75 CCCOC(C)CNCC(=O)OC(C)C 34a_100015185124_100011215430 [0,2,0,0,0,0|2,0,0]=4 16489 B14R0.75 CCOCC(C)OCCC(=O)OC(C)C 7a_100000718985_100000760027 [0,2,0,0,0,0|2,0,0]=4 16490 B14R0.75 CCOCC(O)CNCC(=O)OC(C)C 2230a_102515437182_100011215430 [0,2,0,0,0,0|2,0,0]=4 16491 B14R0.75 CCOCC(O)CNCC(=O)OC(C)C 34a_102515437182_100011215430 [0,2,0,0,0,0|2,0,0]=4 16492 B14R0.75 CSCC[C@H](N)COCC(=O)OC(C)C 34a_100011827619_100011215430 [0,2,0,0,0,0|2,0,0]=4 16493 B14R0.154 CCCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000210183 [0,2,0,0,0,0|1,0,1]=4 16494 B14R0.154 CCCCC(C)NC(=O)CC(=O)OCC 240690a_100000126638_100000243816 [0,2,0,0,0,0|1,0,1]=4 16495 B14R0.154 CCCCC(C)NC(C)CC(=O)OCC 2230a_100000126638_100009817359 [0,2,0,0,0,0|1,0,0]=3 16496 B14R0.154 CCCCC(C)OC(C)CC(=O)OCC 7a_100000687866_100009817359 [0,2,0,0,0,0|1,0,0]=3 16497 B14R0.154 CCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011215066 [0,2,0,0,0,0|1,0,0]=3 16498 B14R0.154 CCCCC(C)SC(C)CC(=O)OCC 62a_100009817359_200011215066 [0,2,0,0,0,0|1,0,0]=3 16499 B14R0.154 CCCCC(C)SC(C)CC(=O)OCC 62a_200011215066_100009817359 [0,2,0,0,0,0|1,0,0]=3 16500 B14R0.154 CCCCC(C)SC(C)OC(=O)OCC 62a_100000036008_200011215066 [0,2,0,0,0,0|2,0,0]=4 16501 B14R0.154 CCCCC(C)SC(C)OC(=O)OCC 62a_200011215066_100000036008 [0,2,0,0,0,0|2,0,0]=4 16502 B14R0.154 CCCCN(C)CC(=O)CC(=O)OCC 269982a_100000207549_100000210311 [0,2,0,0,0,0|1,0,1]=4 16503 B14R0.154 CCCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000207549_100000688340 [0,2,0,0,0,0|1,0,0]=3 16504 B14R0.154 CCOC(=O)CC(C)OC(C)CCCCl 7a_200000718107_100009817359 [0,2,0,0,0,0|2,0,0]=4 16505 B14R0.154 CCOC(=O)C[C@H](O)CN(C)CCCO 269982a_100000213112_100000688340 [0,2,0,0,0,0|2,0,0]=4 16506 B14R0.154 CCOC(=O)C[C@H](O)CN(C)CCOC 269982a_100000743101_100000688340 [0,2,0,0,0,0|2,0,0]=4 16507 B14R0.154 CCOC(=O)C[C@H](O)CN(C)CCSC 269982a_100000686725_100000688340 [0,2,0,0,0,0|2,0,0]=4 16508 B14R0.154 CCOCC(C)OC(C)CC(=O)OCC 7a_100000718985_100009817359 [0,2,0,0,0,0|2,0,0]=4 16509 B14R0.207 C=C(COC(C)CCCC)C(=O)OCC 34a_100000687866_100000755967 [0,2,0,0,0,0|1,0,1]=4 16510 B14R0.207 C=C(COC(C)CCCC)C(=O)OCC 7a_100000687866_100000755967 [0,2,0,0,0,0|1,0,1]=4 16511 B14R0.207 C=C(CSC(C)CCCC)C(=O)OCC 62a_100000755967_200011215066 [0,2,0,0,0,0|1,0,1]=4 16512 B14R0.207 C=C(CSC(C)CCCC)C(=O)OCC 62a_200011215066_100000755967 [0,2,0,0,0,0|1,0,1]=4 16513 B14R0.207 CCCCC(C)COC(C)C(=O)NCC 34a_100011995851_100000230173 [0,2,0,0,0,0|2,0,0]=4 16514 B14R0.207 CCCCC(C)COC(C)C(=O)NCC 7a_100011995851_100000230173 [0,2,0,0,0,0|2,0,0]=4 16515 B14R0.207 CCCCC(C)COC(C)C(=O)OCC 34a_100011995851_100011216346 [0,2,0,0,0,0|1,0,0]=3 16516 B14R0.207 CCCCC(C)COC(C)C(=O)OCC 7a_100011995851_100011216346 [0,2,0,0,0,0|1,0,0]=3 16517 B14R0.207 CCCCC(C)COC(F)C(=O)OCC 34a_100011995851_100000760018 [0,2,0,0,0,0|1,0,0]=3 16518 B14R0.207 CCCCC(C)COC(F)C(=O)OCC 7a_100011995851_100000040065 [0,2,0,0,0,0|1,0,0]=3 16519 B14R0.207 CCCCC(C)SCC(=O)C(=O)OCC 62a_100000211299_200011215066 [0,2,0,0,0,0|1,0,1]=4 16520 B14R0.207 CCCCC(C)SCC(=O)C(=O)OCC 62a_200011215066_100000211299 [0,2,0,0,0,0|1,0,1]=4 16521 B14R0.207 CCCC[C@H](N)COC(C)C(=O)NCC 34a_100011934283_100000230173 [0,2,0,0,0,0|2,0,0]=4 16522 B14R0.207 CCCC[C@H](N)COC(C)C(=O)OCC 34a_100011934283_100011216346 [0,2,0,0,0,0|1,0,0]=3 16523 B14R0.207 CCCC[C@H](N)COC(F)C(=O)OCC 34a_100011934283_100000760018 [0,2,0,0,0,0|1,0,0]=3 16524 B14R0.207 CCCOC(C)CNC(C)C(=O)OCC 2230a_100015185124_100011215307 [0,2,0,0,0,0|2,0,0]=4 16525 B14R0.207 CCCOC(C)CNC(C)C(=O)OCC 34a_100015185124_100011216346 [0,2,0,0,0,0|2,0,0]=4 16526 B14R0.207 CCCOC(C)CNC(F)C(=O)OCC 2230a_100015185124_100000760018 [0,2,0,0,0,0|2,0,0]=4 16527 B14R0.207 CCCOC(C)CNC(F)C(=O)OCC 34a_100015185124_100000760018 [0,2,0,0,0,0|2,0,0]=4 16528 B14R0.207 CCOC(=O)C(C)NC[C@H](C)CCCO 2230a_100160569302_100011215307 [0,2,0,0,0,0|2,0,0]=4 16529 B14R0.207 CCOC(=O)C(C)NC[C@H](C)CCCO 34a_100160569302_100011216346 [0,2,0,0,0,0|2,0,0]=4 16530 B14R0.207 CCOC(=O)C(C)OC[C@@H](N)CCSC 34a_100011827619_100011216346 [0,2,0,0,0,0|2,0,0]=4 16531 B14R0.207 CCOC(=O)C(F)NC[C@H](C)CCCO 2230a_100160569302_100000760018 [0,2,0,0,0,0|2,0,0]=4 16532 B14R0.207 CCOC(=O)C(F)NC[C@H](C)CCCO 34a_100160569302_100000760018 [0,2,0,0,0,0|2,0,0]=4 16533 B14R0.207 CCOC(=O)C(F)OC[C@@H](N)CCSC 34a_100011827619_100000760018 [0,2,0,0,0,0|2,0,0]=4 16534 B14R0.207 CCOCC(O)CNC(C)C(=O)OCC 2230a_102515437182_100011215307 [0,2,0,0,0,0|2,0,0]=4 16535 B14R0.207 CCOCC(O)CNC(C)C(=O)OCC 34a_102515437182_100011216346 [0,2,0,0,0,0|2,0,0]=4 16536 B14R0.207 CCOCC(O)CNC(F)C(=O)OCC 2230a_102515437182_100000760018 [0,2,0,0,0,0|2,0,0]=4 16537 B14R0.207 CCOCC(O)CNC(F)C(=O)OCC 34a_102515437182_100000760018 [0,2,0,0,0,0|2,0,0]=4 16538 B14R0.218 CCCCC(C)COCC(=O)N(C)CC 34a_100011995851_100000738999 [0,2,0,0,0,0|2,0,0]=4 16539 B14R0.218 CCCCC(C)COCC(=O)N(C)CC 7a_100011995851_100000738999 [0,2,0,0,0,0|2,0,0]=4 16540 B14R0.218 CCCC[C@H](N)COCC(=O)N(C)CC 34a_100011934283_100000738999 [0,2,0,0,0,0|2,0,0]=4 16541 B14R0.410 C=C(COCC(C)CCC)C(=O)OCC 34a_100000688023_100000755967 [0,2,0,0,0,0|1,0,1]=4 16542 B14R0.410 C=C(COCC(C)CCC)C(=O)OCC 7a_100000688023_100000755967 [0,2,0,0,0,0|1,0,1]=4 16543 B14R0.410 C=C(COC[C@@H](N)CCC)C(=O)OCC 34a_100000732646_100000755967 [0,2,0,0,0,0|1,0,1]=4 16544 B14R0.410 C=C(CSCC(C)CCC)C(=O)OCC 62a_100000755967_100011216630 [0,2,0,0,0,0|1,0,1]=4 16545 B14R0.410 C=C(CSCC(C)CCC)C(=O)OCC 62a_100011216630_100000755967 [0,2,0,0,0,0|1,0,1]=4 16546 B14R0.410 CCCC(C)C(=O)CCCC(=O)NCC 1458a_100000199580_100000766640 [0,2,0,0,0,0|1,0,1]=4 16547 B14R0.410 CCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210906_100011215271 [0,2,0,0,0,0|0,0,1]=3 16548 B14R0.410 CCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210991_100000766640 [0,2,0,0,0,0|0,0,1]=3 16549 B14R0.410 CCCC(C)C(=O)CCNC(=O)OCC 1458a_100000210906_200011445536 [0,2,0,0,0,0|1,0,1]=4 16550 B14R0.410 CCCC(C)C(=O)NCCC(=O)OCC 188690a_100000746078_100000210906 [0,2,0,0,0,0|1,0,1]=4 16551 B14R0.410 CCCC(C)C(C)NCCC(=O)NCC 270004a_100025743525_100011216282 [0,2,0,0,0,0|2,0,0]=4 16552 B14R0.410 CCCC(C)C(C)OCCC(=O)NCC 7a_100000708338_100000737597 [0,2,0,0,0,0|2,0,0]=4 16553 B14R0.410 CCCC(C)C(C)OCCC(=O)OCC 34a_100000708338_100000765890 [0,2,0,0,0,0|1,0,0]=3 16554 B14R0.410 CCCC(C)C(C)OCCC(=O)OCC 7a_100000708338_100011206558 [0,2,0,0,0,0|1,0,0]=3 16555 B14R0.410 CCCC(C)CCOC(C)C(=O)NCC 34a_100011217855_100000230173 [0,2,0,0,0,0|2,0,0]=4 16556 B14R0.410 CCCC(C)CCOC(C)C(=O)NCC 7a_100011217855_100000230173 [0,2,0,0,0,0|2,0,0]=4 16557 B14R0.410 CCCC(C)CCOC(C)C(=O)OCC 34a_100011217855_100011216346 [0,2,0,0,0,0|1,0,0]=3 16558 B14R0.410 CCCC(C)CCOC(C)C(=O)OCC 7a_100011217855_100011216346 [0,2,0,0,0,0|1,0,0]=3 16559 B14R0.410 CCCC(C)CCOC(F)C(=O)OCC 34a_100011217855_100000760018 [0,2,0,0,0,0|1,0,0]=3 16560 B14R0.410 CCCC(C)CCOC(F)C(=O)OCC 7a_100011217855_100000040065 [0,2,0,0,0,0|1,0,0]=3 16561 B14R0.410 CCCC(C)CSCC(=O)C(=O)OCC 62a_100000211299_100011216630 [0,2,0,0,0,0|1,0,1]=4 16562 B14R0.410 CCCC(C)CSCC(=O)C(=O)OCC 62a_100011216630_100000211299 [0,2,0,0,0,0|1,0,1]=4 16563 B14R0.410 CCCN(C)C(=O)CCCC(=O)OCC 11a_100000747261_100000210991 [0,2,0,0,0,0|1,0,1]=4 16564 B14R0.410 CCCN(C)C(=O)CCCC(=O)OCC 1626a_100000747261_100000210991 [0,2,0,0,0,0|1,0,1]=4 16565 B14R0.410 CCCN(C)C(=O)CCCC(=O)OCC 240690a_100000747261_100000210991 [0,2,0,0,0,0|1,0,1]=4 16566 B14R0.410 CCCN(C)C(=O)CCCC(=O)OCC 527a_100000747261_100000210991 [0,2,0,0,0,0|1,0,1]=4 16567 B14R0.410 CCC[C@H](N)CCOC(C)C(=O)NCC 34a_100015193777_100000230173 [0,2,0,0,0,0|2,0,0]=4 16568 B14R0.410 CCC[C@H](N)CCOC(C)C(=O)OCC 34a_100015193777_100011216346 [0,2,0,0,0,0|1,0,0]=3 16569 B14R0.410 CCC[C@H](N)CCOC(F)C(=O)OCC 34a_100015193777_100000760018 [0,2,0,0,0,0|1,0,0]=3 16570 B14R0.410 CCC[C@H](O)C(=O)CCCC(=O)OCC 1458a_100009822183_100011215271 [0,2,0,0,0,0|0,0,1]=3 16571 B14R0.410 CCC[C@H](O)C(=O)CCNC(=O)OCC 1458a_100009822183_200011445536 [0,2,0,0,0,0|1,0,1]=4 16572 B14R0.410 CCC[C@H](O)C(=O)NCCC(=O)OCC 188690a_100000746078_100009822183 [0,2,0,0,0,0|1,0,1]=4 16573 B14R0.410 CCOC(=O)CCCC(=O)C(C)CCO 1458a_100000210991_100009893172 [0,2,0,0,0,0|1,0,1]=4 16574 B14R0.410 CCOC(=O)CCCC(=O)C(C)COC 1458a_100000210991_100000765312 [0,2,0,0,0,0|1,0,1]=4 16575 B14R0.410 CCOC(=O)CCCC(=O)C(C)COC 1458a_100000751857_100011215271 [0,2,0,0,0,0|1,0,1]=4 16576 B14R0.410 CCOC(=O)CCCC(=O)C(C)CSC 1458a_100000753918_100011215271 [0,2,0,0,0,0|1,0,1]=4 16577 B14R0.410 CCOC(=O)CCCC(=O)C(C)OCC 1458a_100000739345_100011215271 [0,2,0,0,0,0|1,0,1]=4 16578 B14R0.410 CCOC(=O)CCCC(=O)C(C)SCC 1458a_100000230601_100011215271 [0,2,0,0,0,0|1,0,1]=4 16579 B14R0.410 CCOC(=O)CCCN(C)C(C)CCO 2230a_100000731037_100009991533 [0,2,0,0,0,0|2,0,0]=4 16580 B14R0.410 CCOC(=O)CCCN(C)C(C)CCO 269982a_100000731037_100009991533 [0,2,0,0,0,0|2,0,0]=4 16581 B14R0.597 CCCCC(=O)C(C)CCC(=O)OCC 1458a_100000210183_100000748298 [0,2,0,0,0,0|0,0,1]=3 16582 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000210183 [0,2,0,0,0,0|1,0,1]=4 16583 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000210183 [0,2,0,0,0,0|1,0,1]=4 16584 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000210183 [0,2,0,0,0,0|1,0,1]=4 16585 B14R0.597 CCCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000210183 [0,2,0,0,0,0|1,0,1]=4 16586 B14R0.597 CCCCC(C)C(=O)CCC(=O)NCC 1458a_100000199579_200011215066 [0,2,0,0,0,0|1,0,1]=4 16587 B14R0.597 CCCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200011215066 [0,2,0,0,0,0|0,0,1]=3 16588 B14R0.597 CCCCC(C)C(=O)CNC(=O)OCC 1458a_100000190774_200011215066 [0,2,0,0,0,0|1,0,1]=4 16589 B14R0.597 CCCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000725509 [0,2,0,0,0,0|1,0,1]=4 16590 B14R0.597 CCCCC(C)N(C)CCC(=O)OCC 2230a_100000745921_200011215066 [0,2,0,0,0,0|1,0,0]=3 16591 B14R0.597 CCCCC(C)N(C)CCC(=O)OCC 269982a_100000745921_200011215066 [0,2,0,0,0,0|1,0,0]=3 16592 B14R0.597 CCCCC(O)C(=O)NCC(=O)OCC 188690a_100000741813_100000720857 [0,2,0,0,0,0|1,0,1]=4 16593 B14R0.597 CCCCN(C)C(=O)CCC(=O)OCC 11a_100000207549_100000183558 [0,2,0,0,0,0|1,0,1]=4 16594 B14R0.597 CCCCN(C)C(=O)CCC(=O)OCC 1626a_100000207549_100000183558 [0,2,0,0,0,0|1,0,1]=4 16595 B14R0.597 CCCCN(C)C(=O)CCC(=O)OCC 240690a_100000207549_100000183558 [0,2,0,0,0,0|1,0,1]=4 16596 B14R0.597 CCCCN(C)C(C)CCC(=O)OCC 2230a_100000207549_100000748298 [0,2,0,0,0,0|1,0,0]=3 16597 B14R0.597 CCCCN(C)C(C)CCC(=O)OCC 269982a_100000207549_100000748298 [0,2,0,0,0,0|1,0,0]=3 16598 B14R0.597 CCOC(=O)CCC(C)C(=O)CCOC 1458a_100000749529_100000748298 [0,2,0,0,0,0|1,0,1]=4 16599 B14R0.597 CCOC(=O)CCC(C)C(=O)CCSC 1458a_100000174002_100000748298 [0,2,0,0,0,0|1,0,1]=4 16600 B14R0.597 CCOC(=O)CCC(C)C(=O)CSCC 1458a_100000230394_100000748298 [0,2,0,0,0,0|1,0,1]=4 16601 B14R0.597 CCOC(=O)CCC(C)N(C)CCCO 2230a_100000213112_100000748298 [0,2,0,0,0,0|2,0,0]=4 16602 B14R0.597 CCOC(=O)CCC(C)N(C)CCCO 269982a_100000213112_100000748298 [0,2,0,0,0,0|2,0,0]=4 16603 B14R0.597 CCOC(=O)CCC(C)N(C)CCOC 2230a_100000743101_100000748298 [0,2,0,0,0,0|2,0,0]=4 16604 B14R0.597 CCOC(=O)CCC(C)N(C)CCOC 269982a_100000743101_100000748298 [0,2,0,0,0,0|2,0,0]=4 16605 B14R0.597 CCOC(=O)CCC(C)N(C)CCSC 2230a_100000686725_100000748298 [0,2,0,0,0,0|2,0,0]=4 16606 B14R0.597 CCOC(=O)CCC(C)N(C)CCSC 269982a_100000686725_100000748298 [0,2,0,0,0,0|2,0,0]=4 16607 B14R0.597 CCOCC(=O)C(C)CCC(=O)OCC 1458a_100000211967_100000748298 [0,2,0,0,0,0|1,0,1]=4 16608 B14R0.2270 C#CC(CCCC)OCCC(=O)NCC 7a_200011217967_100000737597 [0,2,0,0,0,0|2,0,0]=4 16609 B14R0.2270 C#CC(CCCC)OCCC(=O)OCC 34a_200011217967_100000765890 [0,2,0,0,0,0|1,0,0]=3 16610 B14R0.2270 C#CC(CCCC)OCCC(=O)OCC 7a_200011217967_100011206558 [0,2,0,0,0,0|1,0,0]=3 16611 B14R0.2270 C=CC(CCCC)OCCC(=O)NCC 7a_200011215037_100000737597 [0,2,0,0,0,0|2,0,0]=4 16612 B14R0.2270 C=CC(CCCC)OCCC(=O)OCC 34a_200011215037_100000765890 [0,2,0,0,0,0|1,0,0]=3 16613 B14R0.2270 C=CC(CCCC)OCCC(=O)OCC 7a_200011215037_100011206558 [0,2,0,0,0,0|1,0,0]=3 16614 B14R0.2270 CCCCC(CC)CNCC(=O)CCC 2230a_100000209976_100000747444 [0,2,0,0,0,0|2,0,0]=4 16615 B14R0.2270 CCCCC(CC)CNCC(=O)NCC 2230a_100000209976_100000183381 [0,2,0,0,0,0|2,0,0]=4 16616 B14R0.2270 CCCCC(CC)CNCC(=O)NCC 2230a_100016988866_100000211942 [0,2,0,0,0,0|2,0,0]=4 16617 B14R0.2270 CCCCC(CC)CNCC(=O)NCC 270004a_100016988866_100011219736 [0,2,0,0,0,0|2,0,0]=4 16618 B14R0.2270 CCCCC(CC)CNCC(=O)OCC 2230a_100000209976_100000188475 [0,2,0,0,0,0|1,0,0]=3 16619 B14R0.2270 CCCCC(CC)COCC(=O)CCC 7a_100000210273_100000747444 [0,2,0,0,0,0|2,0,0]=4 16620 B14R0.2270 CCCCC(CC)COCC(=O)NCC 34a_100000210273_100000183381 [0,2,0,0,0,0|2,0,0]=4 16621 B14R0.2270 CCCCC(CC)COCC(=O)NCC 7a_100000210273_100000183381 [0,2,0,0,0,0|2,0,0]=4 16622 B14R0.2270 CCCCC(CC)COCC(=O)OCC 34a_100000210273_100000188475 [0,2,0,0,0,0|1,0,0]=3 16623 B14R0.2270 CCCCC(CC)COCC(=O)OCC 7a_100000210273_100000188475 [0,2,0,0,0,0|1,0,0]=3 16624 B14R0.2270 CCCCC(CC)CSCC(=O)CCC 62a_100000211942_100000747444 [0,2,0,0,0,0|2,0,0]=4 16625 B14R0.2270 CCCCC(CC)CSCC(=O)CCC 62a_100000747444_100000211942 [0,2,0,0,0,0|2,0,0]=4 16626 B14R0.2270 CCCCC(CC)CSCC(=O)NCC 62a_100000183381_100000211942 [0,2,0,0,0,0|2,0,0]=4 16627 B14R0.2270 CCCCC(CC)CSCC(=O)NCC 62a_100000211942_100000183381 [0,2,0,0,0,0|2,0,0]=4 16628 B14R0.2270 CCCCC(CC)CSCC(=O)OCC 62a_100000188475_100000211942 [0,2,0,0,0,0|1,0,0]=3 16629 B14R0.2270 CCCCC(CC)CSCC(=O)OCC 62a_100000211942_100000188475 [0,2,0,0,0,0|1,0,0]=3 16630 B14R0.2270 CCCCC(CC)NCCC(=O)NCC 270004a_100025743525_100000753412 [0,2,0,0,0,0|2,0,0]=4 16631 B14R0.2270 CCCCC(CC)NCCC(=O)NCC 34a_100025743525_200011216223 [0,2,0,0,0,0|2,0,0]=4 16632 B14R0.2270 CCCCC(CC)OCCC(=O)NCC 7a_100011215227_100000737597 [0,2,0,0,0,0|2,0,0]=4 16633 B14R0.2270 CCCCC(CC)OCCC(=O)OCC 34a_100011215227_100000765890 [0,2,0,0,0,0|1,0,0]=3 16634 B14R0.2270 CCCCC(CC)OCCC(=O)OCC 7a_100011215227_100011206558 [0,2,0,0,0,0|1,0,0]=3 16635 B14R0.2270 CCCCC(CC)SCCC(=O)NCC 62a_100000737597_200011216223 [0,2,0,0,0,0|2,0,0]=4 16636 B14R0.2270 CCCCC(CC)SCCC(=O)NCC 62a_200011216223_100000737597 [0,2,0,0,0,0|2,0,0]=4 16637 B14R0.2270 CCCCC(CC)SCCC(=O)OCC 62a_100000765890_200011216223 [0,2,0,0,0,0|1,0,0]=3 16638 B14R0.2270 CCCCC(CC)SCCC(=O)OCC 62a_200011216223_100000765890 [0,2,0,0,0,0|1,0,0]=3 16639 B14R0.2270 CCCCC(CC)SCOC(=O)OCC 62a_200011216223_100000075025 [0,2,0,0,0,0|2,0,0]=4 16640 B14R0.2270 CCCCN(CC)CCCC(=O)OCC 2230a_100000207695_100009991533 [0,2,0,0,0,0|1,0,0]=3 16641 B14R0.2270 CCCCN(CC)CCCC(=O)OCC 269982a_100000207695_100009991533 [0,2,0,0,0,0|1,0,0]=3 16642 B14R0.2270 CCCCN(CC)CCNC(=O)OCC 269982a_100000207695_200011445536 [0,2,0,0,0,0|2,0,0]=4 16643 B14R0.2270 CCCC[C@@H](CO)NCCC(=O)NCC 2230a_100011934283_100000737597 [0,2,0,0,0,0|2,0,0]=4 16644 B14R0.2270 CCCC[C@@H](CO)NCCC(=O)OCC 2230a_100011934283_100011206558 [0,2,0,0,0,0|1,0,0]=3 16645 B14R0.2270 CCCC[C@@H](CO)NCCC(=O)OCC 34a_100011934283_100000765890 [0,2,0,0,0,0|1,0,0]=3 16646 B14R0.2270 CCOC(=O)CCCN(CC)CCOC 2230a_100000731262_100009991533 [0,2,0,0,0,0|2,0,0]=4 16647 B14R0.2270 CCOC(=O)CCCN(CC)CCOC 269982a_100000731262_100009991533 [0,2,0,0,0,0|2,0,0]=4 16648 B14R0.2270 CCOC(=O)CCN[C@H](CO)CCSC 2230a_100011827619_100011206558 [0,2,0,0,0,0|2,0,0]=4 16649 B14R0.2270 CCOCC(CN)OCCC(=O)OCC 34a_102515437182_100000765890 [0,2,0,0,0,0|2,0,0]=4 16650 B14R0.2516 CCCCC(C)(C)COCC(=O)CCC 7a_200011995781_100000747444 [0,2,0,0,0,0|2,0,0]=4 16651 B14R0.2516 CCCCC(C)(C)COCC(=O)NCC 7a_200011995781_100000183381 [0,2,0,0,0,0|2,0,0]=4 16652 B14R0.2516 CCCCC(C)(C)COCC(=O)OCC 7a_200011995781_100000188475 [0,2,0,0,0,0|1,0,0]=3 16653 B14R0.2516 CCCCC(C)(C)OCCC(=O)NCC 7a_100011219641_100000737597 [0,2,0,0,0,0|2,0,0]=4 16654 B14R0.2516 CCCCC(C)(C)OCCC(=O)OCC 7a_100011219641_100011206558 [0,2,0,0,0,0|1,0,0]=3 16655 B14R0.2516 CCCC[Si](C)(C)CSCC(=O)OCC 62a_100000188475_200000073895 [0,2,0,0,0,0|1,1,0]=4 16656 B14R0.2516 CCCC[Si](C)(C)CSCC(=O)OCC 62a_200000073895_100000188475 [0,2,0,0,0,0|1,1,0]=4 16657 B14R0.2516 CCOC(=O)CCOC(C)(C)CCCBr 7a_100009888830_100011206558 [0,2,0,0,0,0|2,0,0]=4 16658 B14R0.33 CCCC(=O)CC(=O)CCC(=O)OCC 1458a_100000183558_100000747444 [0,2,0,0,0,0|0,0,2]=4 16659 B14R0.33 CCCC(=O)CN(C)CCC(=O)OCC 2230a_100000745921_100000747444 [0,2,0,0,0,0|1,0,1]=4 16660 B14R0.33 CCCC(=O)CN(C)CCC(=O)OCC 269982a_100000745921_100000747444 [0,2,0,0,0,0|1,0,1]=4 16661 B14R0.33 CCCC(=O)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000747444 [0,2,0,0,0,0|1,0,1]=4 16662 B14R0.33 CCCC(=O)CSC(C)CC(=O)OCC 62a_100000747444_100009817359 [0,2,0,0,0,0|1,0,1]=4 16663 B14R0.33 CCCC(=O)CSC(C)CC(=O)OCC 62a_100009817359_100000747444 [0,2,0,0,0,0|1,0,1]=4 16664 B14R0.33 CCCC(C)CC(=O)CCC(=O)NCC 1458a_100000199579_100011216630 [0,2,0,0,0,0|1,0,1]=4 16665 B14R0.33 CCCC(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100011216630 [0,2,0,0,0,0|0,0,1]=3 16666 B14R0.33 CCCC(C)CC(=O)CNC(=O)OCC 1458a_100000190774_100011216630 [0,2,0,0,0,0|1,0,1]=4 16667 B14R0.33 CCCC(C)CC(=O)NCC(=O)OCC 188690a_100000741813_100000748435 [0,2,0,0,0,0|1,0,1]=4 16668 B14R0.33 CCCC(C)CN(C)CCC(=O)OCC 2230a_100000745921_100011216630 [0,2,0,0,0,0|1,0,0]=3 16669 B14R0.33 CCCC(C)CN(C)CCC(=O)OCC 269982a_100000745921_100011216630 [0,2,0,0,0,0|1,0,0]=3 16670 B14R0.33 CCCC(C)COC(C)CC(=O)OCC 7a_100000688023_100009817359 [0,2,0,0,0,0|1,0,0]=3 16671 B14R0.33 CCCC(C)CO[C@H](C)CC(=O)OCC 7a_100009816390_100011216630 [0,2,0,0,0,0|1,0,0]=3 16672 B14R0.33 CCCC(C)CSC(C)CC(=O)OCC 62a_100009817359_100011216630 [0,2,0,0,0,0|1,0,0]=3 16673 B14R0.33 CCCC(C)CSC(C)CC(=O)OCC 62a_100011216630_100009817359 [0,2,0,0,0,0|1,0,0]=3 16674 B14R0.33 CCCC(C)CSC(C)OC(=O)OCC 62a_100000036008_100011216630 [0,2,0,0,0,0|2,0,0]=4 16675 B14R0.33 CCCC(C)CSC(C)OC(=O)OCC 62a_100011216630_100000036008 [0,2,0,0,0,0|2,0,0]=4 16676 B14R0.33 CCCC(C)NC(=O)CCC(=O)OCC 11a_100000741246_100000183558 [0,2,0,0,0,0|1,0,1]=4 16677 B14R0.33 CCCC(C)NC(=O)CCC(=O)OCC 1626a_100000741246_100000183558 [0,2,0,0,0,0|1,0,1]=4 16678 B14R0.33 CCCC(C)NC(=O)CCC(=O)OCC 240690a_100000741246_100000183558 [0,2,0,0,0,0|1,0,1]=4 16679 B14R0.33 CCCC(C)NC(C)CCC(=O)OCC 2230a_100000741246_100000748298 [0,2,0,0,0,0|1,0,0]=3 16680 B14R0.33 CCCC(C)OC(C)CCC(=O)OCC 34a_100000764384_100000748298 [0,2,0,0,0,0|1,0,0]=3 16681 B14R0.33 CCCC(C)OC(C)CCC(=O)OCC 7a_100000764384_100000748298 [0,2,0,0,0,0|1,0,0]=3 16682 B14R0.33 CCCC(C)OC[C@@H](O)CC(=O)OCC 34a_100000764384_100000688340 [0,2,0,0,0,0|1,0,0]=3 16683 B14R0.33 CCCC(C)OC[C@@H](O)CC(=O)OCC 7a_100000764384_100000688340 [0,2,0,0,0,0|1,0,0]=3 16684 B14R0.33 CCCC(C)SC(C)CCC(=O)OCC 62a_100000748298_100000766640 [0,2,0,0,0,0|1,0,0]=3 16685 B14R0.33 CCCC(C)SC(C)CCC(=O)OCC 62a_100000766640_100000748298 [0,2,0,0,0,0|1,0,0]=3 16686 B14R0.33 CCCC(C)SCC(=O)CC(=O)OCC 62a_100000210311_100000766640 [0,2,0,0,0,0|1,0,1]=4 16687 B14R0.33 CCCC(C)SCC(=O)CC(=O)OCC 62a_100000766640_100000210311 [0,2,0,0,0,0|1,0,1]=4 16688 B14R0.33 CCCC(C)SC[C@@H](O)CC(=O)OCC 62a_100000688340_100000766640 [0,2,0,0,0,0|1,0,0]=3 16689 B14R0.33 CCCC(C)SC[C@@H](O)CC(=O)OCC 62a_100000766640_100000688340 [0,2,0,0,0,0|1,0,0]=3 16690 B14R0.33 CCOC(=O)CC(C)NCC(O)COC 2230a_100000756049_100009817359 [0,2,0,0,0,0|2,0,0]=4 16691 B14R0.33 CCOC(=O)CC(C)SCC(O)COC 62a_100009817359_100011215053 [0,2,0,0,0,0|2,0,0]=4 16692 B14R0.33 CCOC(=O)CC(C)SCC(O)COC 62a_100011215053_100009817359 [0,2,0,0,0,0|2,0,0]=4 16693 B14R0.33 CCOC(=O)CCC(C)N[C@H](C)CCO 2230a_100000706166_100000748298 [0,2,0,0,0,0|2,0,0]=4 16694 B14R0.33 CCOC(=O)CCC(C)N[C@H](C)CCO 34a_100000706166_100000748298 [0,2,0,0,0,0|2,0,0]=4 16695 B14R0.33 CCOC(=O)CCC(C)N[C@H](C)COC 2230a_100000764878_100000748298 [0,2,0,0,0,0|2,0,0]=4 16696 B14R0.33 CCOC(=O)CCC(C)OC(C)CCBr 34a_100012276601_100000748298 [0,2,0,0,0,0|2,0,0]=4 16697 B14R0.33 CCOC(=O)CCC(C)O[C@H](C)COC 34a_100011934205_100000748298 [0,2,0,0,0,0|2,0,0]=4 16698 B14R0.33 CCOC(=O)CCC(C)SC(C)CCO 62a_100000748298_100009893172 [0,2,0,0,0,0|2,0,0]=4 16699 B14R0.33 CCOC(=O)CCC(C)SC(C)CCO 62a_100009893172_100000748298 [0,2,0,0,0,0|2,0,0]=4 16700 B14R0.33 CCOC(=O)CCC(C)SC(C)COC 62a_100000748298_100000765312 [0,2,0,0,0,0|2,0,0]=4 16701 B14R0.33 CCOC(=O)CCC(C)SC(C)COC 62a_100000765312_100000748298 [0,2,0,0,0,0|2,0,0]=4 16702 B14R0.33 CCOC(=O)CCN(C)CC(O)COC 2230a_100000739405_100011206558 [0,2,0,0,0,0|2,0,0]=4 16703 B14R0.33 CCOC(=O)CCN(C)CC(O)COC 269982a_100000739405_100011206558 [0,2,0,0,0,0|2,0,0]=4 16704 B14R0.33 CCOC(=O)C[C@@H](C)OCC(O)COC 7a_100009816390_100011215053 [0,2,0,0,0,0|2,0,0]=4 16705 B14R0.33 CCOC(=O)C[C@H](O)CN[C@H](C)CCO 34a_100000706166_100000688340 [0,2,0,0,0,0|2,0,0]=4 16706 B14R0.33 CCOC(=O)C[C@H](O)COC(C)CCBr 34a_100012276601_100000688340 [0,2,0,0,0,0|2,0,0]=4 16707 B14R0.33 CCOC(=O)C[C@H](O)CO[C@H](C)COC 34a_100011934205_100000688340 [0,2,0,0,0,0|2,0,0]=4 16708 B14R0.33 CCOC(=O)C[C@H](O)CSC(C)CCO 62a_100000688340_100009893172 [0,2,0,0,0,0|2,0,0]=4 16709 B14R0.33 CCOC(=O)C[C@H](O)CSC(C)CCO 62a_100009893172_100000688340 [0,2,0,0,0,0|2,0,0]=4 16710 B14R0.33 CCOC(=O)C[C@H](O)CSC(C)COC 62a_100000688340_100000765312 [0,2,0,0,0,0|2,0,0]=4 16711 B14R0.33 CCOC(=O)C[C@H](O)CSC(C)COC 62a_100000765312_100000688340 [0,2,0,0,0,0|2,0,0]=4 16712 B14R0.227 C=C(C)CC(=O)CCC(C)CCCCC 1458a_100000034243_100000748629 [0,2,0,0,0,0|1,0,1]=4 16713 B14R0.227 CC(C)OC(=O)CCC(=O)CCCCO 1458a_100000695505_100000760027 [0,2,0,0,0,0|1,0,1]=4 16714 B14R0.227 CC(C)OC(=O)CCN(C)CCCCO 2230a_100000717598_100000760027 [0,2,0,0,0,0|2,0,0]=4 16715 B14R0.227 CC(C)OC(=O)CCN(C)CCCCO 269982a_100000717598_100000760027 [0,2,0,0,0,0|2,0,0]=4 16716 B14R0.227 CCCCCC(=O)CCC(=O)NC(C)C 1458a_100000212188_100000737564 [0,2,0,0,0,0|1,0,1]=4 16717 B14R0.227 CCCCCC(=O)CCC(=O)OC(C)C 1458a_100000212188_100000760027 [0,2,0,0,0,0|0,0,1]=3 16718 B14R0.227 CCCCCC(=O)COC(=O)OC(C)C 1458a_100000212188_100000003507 [0,2,0,0,0,0|1,0,1]=4 16719 B14R0.227 CCCCCC(C)CCC(=O)CC(C)C 1458a_100000034243_100000210624 [0,2,0,0,0,0|1,0,0]=3 16720 B14R0.227 CCCCCC(C)CCC(=O)CC(C)O 1458a_100000034243_100011218427 [0,2,0,0,0,0|1,0,0]=3 16721 B14R0.227 CCCCCC(C)CCC(=O)CC(F)F 1458a_100000034243_100011934356 [0,2,0,0,0,0|2,0,0]=4 16722 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 11a_100138425928_100000034243 [0,2,0,0,0,0|1,0,0]=3 16723 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000034243 [0,2,0,0,0,0|1,0,0]=3 16724 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000034243 [0,2,0,0,0,0|1,0,0]=3 16725 B14R0.227 CCCCCC(C)CCC(=O)NC(C)C 527a_100138425928_100000034243 [0,2,0,0,0,0|1,0,0]=3 16726 B14R0.227 CCCCCC(C)NCC(=O)NC(C)C 2230a_100000168517_200011218191 [0,2,0,0,0,0|2,0,0]=4 16727 B14R0.227 CCCCCC(C)NCC(=O)NC(C)C 2230a_100000211957_100000183996 [0,2,0,0,0,0|2,0,0]=4 16728 B14R0.227 CCCCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000211708 [0,2,0,0,0,0|2,0,0]=4 16729 B14R0.227 CCCCCC(C)NCC(=O)OC(C)C 2230a_100000211957_100011215430 [0,2,0,0,0,0|1,0,0]=3 16730 B14R0.227 CCCCCC(C)OCC(=O)NC(C)C 34a_100011215632_100000183996 [0,2,0,0,0,0|2,0,0]=4 16731 B14R0.227 CCCCCC(C)OCC(=O)NC(C)C 7a_100011215632_100000183996 [0,2,0,0,0,0|2,0,0]=4 16732 B14R0.227 CCCCCC(C)OCC(=O)OC(C)C 34a_100011215632_100011215430 [0,2,0,0,0,0|1,0,0]=3 16733 B14R0.227 CCCCCC(C)OCC(=O)OC(C)C 7a_100011215632_100011215430 [0,2,0,0,0,0|1,0,0]=3 16734 B14R0.227 CCCCCC(C)SCC(=O)NC(C)C 62a_100000183996_200011218191 [0,2,0,0,0,0|2,0,0]=4 16735 B14R0.227 CCCCCC(C)SCC(=O)NC(C)C 62a_200011218191_100000183996 [0,2,0,0,0,0|2,0,0]=4 16736 B14R0.227 CCCCCC(C)SCC(=O)OC(C)C 62a_100011215430_200011218191 [0,2,0,0,0,0|1,0,0]=3 16737 B14R0.227 CCCCCC(C)SCC(=O)OC(C)C 62a_200011218191_100011215430 [0,2,0,0,0,0|1,0,0]=3 16738 B14R0.227 CCCCCN(C)CCC(=O)CC(C)C 1458a_100016987678_100000210624 [0,2,0,0,0,0|2,0,0]=4 16739 B14R0.227 CCCCCN(C)CCC(=O)CC(C)O 1458a_100016987678_100011218427 [0,2,0,0,0,0|2,0,0]=4 16740 B14R0.227 CCCCCN(C)CCC(=O)NC(C)C 2230a_100000223495_100000737564 [0,2,0,0,0,0|2,0,0]=4 16741 B14R0.227 CCCCCN(C)CCC(=O)NC(C)C 240690a_100138425928_100016987678 [0,2,0,0,0,0|2,0,0]=4 16742 B14R0.227 CCCCCN(C)CCC(=O)NC(C)C 269982a_100000223495_100000737564 [0,2,0,0,0,0|2,0,0]=4 16743 B14R0.227 CCCCCN(C)CCC(=O)OC(C)C 2230a_100000223495_100000760027 [0,2,0,0,0,0|1,0,0]=3 16744 B14R0.227 CCCCCN(C)CCC(=O)OC(C)C 269982a_100000223495_100000760027 [0,2,0,0,0,0|1,0,0]=3 16745 B14R0.227 CCCCCN(C)COC(=O)OC(C)C 269982a_100000223495_100010125566 [0,2,0,0,0,0|2,0,0]=4 16746 B14R0.227 CCCOCC(=O)CCC(=O)OC(C)C 1458a_100000745993_100000760027 [0,2,0,0,0,0|1,0,1]=4 16747 B14R0.227 CCCSCC(=O)CCC(=O)OC(C)C 1458a_100000217233_100000760027 [0,2,0,0,0,0|1,0,1]=4 16748 B14R0.227 CCOCCC(=O)CCC(=O)OC(C)C 1458a_100000749530_100000760027 [0,2,0,0,0,0|1,0,1]=4 16749 B14R0.227 CCSCCC(=O)CCC(=O)OC(C)C 1458a_100000230768_100000760027 [0,2,0,0,0,0|1,0,1]=4 16750 B14R0.227 COCCCC(=O)CCC(=O)OC(C)C 1458a_100000741012_100000760027 [0,2,0,0,0,0|1,0,1]=4 16751 B14R0.227 COCCCC(C)OCC(=O)OC(C)C 34a_200011539412_100011215430 [0,2,0,0,0,0|2,0,0]=4 16752 B14R0.227 COCCCC(C)OCC(=O)OC(C)C 7a_200011539412_100011215430 [0,2,0,0,0,0|2,0,0]=4 16753 B14R0.227 COCCCN(C)CCC(=O)OC(C)C 2230a_100000224831_100000760027 [0,2,0,0,0,0|2,0,0]=4 16754 B14R0.227 COCCCN(C)CCC(=O)OC(C)C 269982a_100000224831_100000760027 [0,2,0,0,0,0|2,0,0]=4 16755 B14R0.227 CSCCCC(=O)CCC(=O)OC(C)C 1458a_100000173376_100000760027 [0,2,0,0,0,0|1,0,1]=4 16756 B14R0.232 C=C(CN(C)CCCCC)C(=O)OCC 269982a_100000223495_100000755967 [0,2,0,0,0,0|1,0,1]=4 16757 B14R0.232 CCCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000212188 [0,2,0,0,0,0|1,0,1]=4 16758 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 11a_100000211957_100014798877 [0,2,0,0,0,0|1,0,1]=4 16759 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 1626a_100000211957_100014798877 [0,2,0,0,0,0|1,0,1]=4 16760 B14R0.232 CCCCCC(C)NC(=O)C(=O)OCC 240690a_100000211957_100014798877 [0,2,0,0,0,0|1,0,1]=4 16761 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 2230a_100000211957_100000230173 [0,2,0,0,0,0|2,0,0]=4 16762 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 2230a_100000736553_200011218191 [0,2,0,0,0,0|2,0,0]=4 16763 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100000211708 [0,2,0,0,0,0|2,0,0]=4 16764 B14R0.232 CCCCCC(C)NC(C)C(=O)NCC 34a_100000736553_200011218191 [0,2,0,0,0,0|2,0,0]=4 16765 B14R0.232 CCCCCC(C)NC(C)C(=O)OCC 2230a_100000211957_100011215307 [0,2,0,0,0,0|1,0,0]=3 16766 B14R0.232 CCCCCC(C)NC(F)C(=O)OCC 2230a_100000211957_100000760018 [0,2,0,0,0,0|1,0,0]=3 16767 B14R0.232 CCCCCC(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_200011218191 [0,2,0,0,0,0|1,1,0]=4 16768 B14R0.232 CCCCCC(C)OC(C)C(=O)NCC 34a_100011215632_100000230173 [0,2,0,0,0,0|2,0,0]=4 16769 B14R0.232 CCCCCC(C)OC(C)C(=O)NCC 7a_100011215632_100000230173 [0,2,0,0,0,0|2,0,0]=4 16770 B14R0.232 CCCCCC(C)OC(C)C(=O)OCC 34a_100011215632_100011216346 [0,2,0,0,0,0|1,0,0]=3 16771 B14R0.232 CCCCCC(C)OC(C)C(=O)OCC 7a_100011215632_100011216346 [0,2,0,0,0,0|1,0,0]=3 16772 B14R0.232 CCCCCC(C)OC(F)C(=O)OCC 34a_100011215632_100000760018 [0,2,0,0,0,0|1,0,0]=3 16773 B14R0.232 CCCCCC(C)OC(F)C(=O)OCC 7a_100011215632_100000040065 [0,2,0,0,0,0|1,0,0]=3 16774 B14R0.232 CCCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_200011218191 [0,2,0,0,0,0|1,0,0]=3 16775 B14R0.232 CCCCCC(C)SC(C)C(=O)NCC 62a_100000230173_200011218191 [0,2,0,0,0,0|2,0,0]=4 16776 B14R0.232 CCCCCC(C)SC(C)C(=O)NCC 62a_200011218191_100000230173 [0,2,0,0,0,0|2,0,0]=4 16777 B14R0.232 CCCCCC(C)SC(C)C(=O)OCC 62a_100011216346_200011218191 [0,2,0,0,0,0|1,0,0]=3 16778 B14R0.232 CCCCCC(C)SC(C)C(=O)OCC 62a_200011218191_100011216346 [0,2,0,0,0,0|1,0,0]=3 16779 B14R0.232 CCCCCC(C)SC(F)C(=O)OCC 62a_100000760018_200011218191 [0,2,0,0,0,0|1,0,0]=3 16780 B14R0.232 CCCCCC(C)SC(F)C(=O)OCC 62a_200011218191_100000760018 [0,2,0,0,0,0|1,0,0]=3 16781 B14R0.232 CCCCCN(C)CC(=O)C(=O)OCC 269982a_100000223495_100000211299 [0,2,0,0,0,0|1,0,1]=4 16782 B14R0.232 CCOC(=O)C(C)OC(C)CCCOC 34a_200011539412_100011216346 [0,2,0,0,0,0|2,0,0]=4 16783 B14R0.232 CCOC(=O)C(C)OC(C)CCCOC 7a_200011539412_100011216346 [0,2,0,0,0,0|2,0,0]=4 16784 B14R0.232 CCOC(=O)C(F)OC(C)CCCOC 34a_200011539412_100000760018 [0,2,0,0,0,0|2,0,0]=4 16785 B14R0.232 CCOC(=O)C(F)OC(C)CCCOC 7a_200011539412_100000040065 [0,2,0,0,0,0|2,0,0]=4 16786 B14R0.244 CCCCCC(C)CCC(=O)C(C)CC 1458a_100000034243_100000758301 [0,2,0,0,0,0|1,0,0]=3 16787 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 11a_100000225621_100000034243 [0,2,0,0,0,0|1,0,0]=3 16788 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000034243 [0,2,0,0,0,0|1,0,0]=3 16789 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000034243 [0,2,0,0,0,0|1,0,0]=3 16790 B14R0.244 CCCCCC(C)CCC(=O)N(C)CC 527a_100000225621_100000034243 [0,2,0,0,0,0|1,0,0]=3 16791 B14R0.244 CCCCCC(C)NCC(=O)N(C)CC 2230a_100000211957_100000738999 [0,2,0,0,0,0|2,0,0]=4 16792 B14R0.244 CCCCCC(C)OCC(=O)N(C)CC 34a_100011215632_100000738999 [0,2,0,0,0,0|2,0,0]=4 16793 B14R0.244 CCCCCC(C)OCC(=O)N(C)CC 7a_100011215632_100000738999 [0,2,0,0,0,0|2,0,0]=4 16794 B14R0.244 CCCCCC(C)SCC(=O)N(C)CC 62a_100000738999_200011218191 [0,2,0,0,0,0|2,0,0]=4 16795 B14R0.244 CCCCCC(C)SCC(=O)N(C)CC 62a_200011218191_100000738999 [0,2,0,0,0,0|2,0,0]=4 16796 B14R0.244 CCCCCN(C)CCC(=O)C(C)CC 1458a_100016987678_100000758301 [0,2,0,0,0,0|2,0,0]=4 16797 B14R0.244 CCCCCN(C)CCC(=O)N(C)CC 240690a_100000225621_100016987678 [0,2,0,0,0,0|2,0,0]=4 16798 B14R0.615 C#CC(CCCCC)OCC(=O)CCC 7a_100011216489_100000747444 [0,2,0,0,0,0|2,0,0]=4 16799 B14R0.615 C#CC(CCCCC)OCC(=O)NCC 34a_100011216489_100000183381 [0,2,0,0,0,0|2,0,0]=4 16800 B14R0.615 C#CC(CCCCC)OCC(=O)NCC 7a_100011216489_100000183381 [0,2,0,0,0,0|2,0,0]=4 16801 B14R0.615 C#CC(CCCCC)OCC(=O)OCC 34a_100011216489_100000188475 [0,2,0,0,0,0|1,0,0]=3 16802 B14R0.615 C#CC(CCCCC)OCC(=O)OCC 7a_100011216489_100000188475 [0,2,0,0,0,0|1,0,0]=3 16803 B14R0.615 C=CC(CCCCC)OCC(=O)CCC 7a_100011216863_100000747444 [0,2,0,0,0,0|2,0,0]=4 16804 B14R0.615 C=CC(CCCCC)OCC(=O)NCC 34a_100011216863_100000183381 [0,2,0,0,0,0|2,0,0]=4 16805 B14R0.615 C=CC(CCCCC)OCC(=O)NCC 7a_100011216863_100000183381 [0,2,0,0,0,0|2,0,0]=4 16806 B14R0.615 C=CC(CCCCC)OCC(=O)OCC 34a_100011216863_100000188475 [0,2,0,0,0,0|1,0,0]=3 16807 B14R0.615 C=CC(CCCCC)OCC(=O)OCC 7a_100011216863_100000188475 [0,2,0,0,0,0|1,0,0]=3 16808 B14R0.615 CCCCCC(CC)NCC(=O)NCC 270004a_100016988866_100011215316 [0,2,0,0,0,0|2,0,0]=4 16809 B14R0.615 CCCCCC(CC)OCC(=O)CCC 7a_100011215405_100000747444 [0,2,0,0,0,0|2,0,0]=4 16810 B14R0.615 CCCCCC(CC)OCC(=O)NCC 34a_100011215405_100000183381 [0,2,0,0,0,0|2,0,0]=4 16811 B14R0.615 CCCCCC(CC)OCC(=O)NCC 7a_100011215405_100000183381 [0,2,0,0,0,0|2,0,0]=4 16812 B14R0.615 CCCCCC(CC)OCC(=O)OCC 34a_100011215405_100000188475 [0,2,0,0,0,0|1,0,0]=3 16813 B14R0.615 CCCCCC(CC)OCC(=O)OCC 7a_100011215405_100000188475 [0,2,0,0,0,0|1,0,0]=3 16814 B14R0.615 CCCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210326 [0,2,0,0,0,0|1,0,0]=3 16815 B14R0.615 CCCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210215 [0,2,0,0,0,0|1,0,0]=3 16816 B14R0.615 CCOC(=O)CCN(CC)CCCCF 2230a_200011277716_100000729493 [0,2,0,0,0,0|2,0,0]=4 16817 B14R0.615 CCOC(=O)CCN(CC)CCCCF 269982a_200011277716_100000729493 [0,2,0,0,0,0|2,0,0]=4 16818 B14R0.615 CCOC(=O)CCN(CC)CCCCO 2230a_100011217355_100011206558 [0,2,0,0,0,0|2,0,0]=4 16819 B14R0.615 CCOC(=O)CCN(CC)CCCCO 2230a_200011277716_100000210776 [0,2,0,0,0,0|2,0,0]=4 16820 B14R0.615 CCOC(=O)CCN(CC)CCCCO 269982a_100011217355_100011206558 [0,2,0,0,0,0|2,0,0]=4 16821 B14R0.615 CCOC(=O)CCN(CC)CCCCO 269982a_200011277716_100000210776 [0,2,0,0,0,0|2,0,0]=4 16822 B14R0.615 CCOC(=O)CCN(CC)CCCOC 2230a_200011277716_100000740836 [0,2,0,0,0,0|2,0,0]=4 16823 B14R0.615 CCOC(=O)CCN(CC)CCCOC 269982a_200011277716_100000740836 [0,2,0,0,0,0|2,0,0]=4 16824 B14R0.615 CCOC(=O)CCN(CC)CCSCC 2230a_200011277716_100000757381 [0,2,0,0,0,0|2,0,0]=4 16825 B14R0.615 CCOC(=O)CCN(CC)CCSCC 269982a_200011277716_100000757381 [0,2,0,0,0,0|2,0,0]=4 16826 B14R0.615 CCOCCN(CC)CCC(=O)OCC 2230a_200011277716_100011215890 [0,2,0,0,0,0|2,0,0]=4 16827 B14R0.615 CCOCCN(CC)CCC(=O)OCC 269982a_200011277716_100011215890 [0,2,0,0,0,0|2,0,0]=4 16828 B14R0.2424 CCCCCC(=O)C(C)CC(=O)OCC 1458a_100000212188_100009817359 [0,2,0,0,0,0|0,0,1]=3 16829 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000212188 [0,2,0,0,0,0|1,0,1]=4 16830 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000212188 [0,2,0,0,0,0|1,0,1]=4 16831 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000212188 [0,2,0,0,0,0|1,0,1]=4 16832 B14R0.2424 CCCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000212188 [0,2,0,0,0,0|1,0,1]=4 16833 B14R0.2424 CCCCCC(C)C(=O)CC(=O)CCC 1458a_100011215998_100000747444 [0,2,0,0,0,0|1,0,1]=4 16834 B14R0.2424 CCCCCC(C)C(=O)CC(=O)NCC 1458a_100011215998_100000183381 [0,2,0,0,0,0|1,0,1]=4 16835 B14R0.2424 CCCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011218191 [0,2,0,0,0,0|0,0,1]=3 16836 B14R0.2424 CCCCCC(C)C(=O)CC(=O)OCC 1458a_100011215998_100000188475 [0,2,0,0,0,0|0,0,1]=3 16837 B14R0.2424 CCCCCC(C)N(C)CC(=O)NCC 2230a_100000741943_200011218191 [0,2,0,0,0,0|2,0,0]=4 16838 B14R0.2424 CCCCCC(C)N(C)CC(=O)NCC 269982a_100000741943_200011218191 [0,2,0,0,0,0|2,0,0]=4 16839 B14R0.2424 CCCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000211708 [0,2,0,0,0,0|2,0,0]=4 16840 B14R0.2424 CCCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011218191 [0,2,0,0,0,0|1,0,0]=3 16841 B14R0.2424 CCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211708 [0,2,0,0,0,0|1,0,0]=3 16842 B14R0.2424 CCCCCN(C)C(=O)CC(=O)OCC 240690a_100000223495_100000243816 [0,2,0,0,0,0|1,0,1]=4 16843 B14R0.2424 CCCCCN(C)C(C)CC(=O)OCC 2230a_100000223495_100009817359 [0,2,0,0,0,0|1,0,0]=3 16844 B14R0.2424 CCCCCN(C)C(C)CC(=O)OCC 269982a_100000223495_100009817359 [0,2,0,0,0,0|1,0,0]=3 16845 B14R0.2424 CCCCCN(C)C(C)OC(=O)OCC 269982a_100000223495_100000036008 [0,2,0,0,0,0|2,0,0]=4 16846 B14R0.2424 CCCCSC(C)C(=O)CC(=O)OCC 1458a_100000191163_100000188475 [0,2,0,0,0,0|1,0,1]=4 16847 B14R0.2424 CCCCSC(C)C(=O)CC(=O)OCC 62a_100000210211_100010090504 [0,2,0,0,0,0|1,0,1]=4 16848 B14R0.2424 CCCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210210 [0,2,0,0,0,0|1,0,1]=4 16849 B14R0.2424 CCCOCC(=O)C(C)CC(=O)OCC 1458a_100000745993_100009817359 [0,2,0,0,0,0|1,0,1]=4 16850 B14R0.2424 CCCSCC(=O)C(C)CC(=O)OCC 1458a_100000217233_100009817359 [0,2,0,0,0,0|1,0,1]=4 16851 B14R0.2424 CCCSCC(C)N(C)CC(=O)OCC 270004a_100000220588_100011343953 [0,2,0,0,0,0|2,0,0]=4 16852 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCCO 1458a_100000695505_100009817359 [0,2,0,0,0,0|1,0,1]=4 16853 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCOC 1458a_100000741012_100009817359 [0,2,0,0,0,0|1,0,1]=4 16854 B14R0.2424 CCOC(=O)CC(C)C(=O)CCCSC 1458a_100000173376_100009817359 [0,2,0,0,0,0|1,0,1]=4 16855 B14R0.2424 CCOC(=O)CC(C)C(=O)CCSCC 1458a_100000230768_100009817359 [0,2,0,0,0,0|1,0,1]=4 16856 B14R0.2424 CCOC(=O)CC(C)N(C)CCCCO 2230a_100000717598_100009817359 [0,2,0,0,0,0|2,0,0]=4 16857 B14R0.2424 CCOC(=O)CC(C)N(C)CCCCO 269982a_100000717598_100009817359 [0,2,0,0,0,0|2,0,0]=4 16858 B14R0.2424 CCOC(=O)CC(C)N(C)CCCOC 2230a_100000224831_100009817359 [0,2,0,0,0,0|2,0,0]=4 16859 B14R0.2424 CCOC(=O)CC(C)N(C)CCCOC 269982a_100000224831_100009817359 [0,2,0,0,0,0|2,0,0]=4 16860 B14R0.2424 CCOC(=O)CN(C)C(C)CCCSC 270004a_100000220588_100011399439 [0,2,0,0,0,0|2,0,0]=4 16861 B14R0.2424 CCOCCC(=O)C(C)CC(=O)OCC 1458a_100000749530_100009817359 [0,2,0,0,0,0|1,0,1]=4 16862 B14R0.2424 CCOCCC(C)N(C)CC(=O)OCC 270004a_100000220588_200011216536 [0,2,0,0,0,0|2,0,0]=4 16863 B14R0.138 CC(C)OC(=O)[C@@H](C)OCCCCCF 34a_100015307928_100000729378 [0,2,0,0,0,0|2,0,0]=4 16864 B14R0.138 CC(C)OC(=O)[C@@H](C)OCCCCCF 7a_100015307928_100000729378 [0,2,0,0,0,0|2,0,0]=4 16865 B14R0.138 CC(C)OC(=O)[C@@H](C)OCCCCCO 34a_100015307928_100000746330 [0,2,0,0,0,0|2,0,0]=4 16866 B14R0.138 CC(C)OC(=O)[C@@H](C)OCCCCCO 7a_100015307928_100000746330 [0,2,0,0,0,0|2,0,0]=4 16867 B14R0.138 CC(C)OC(=O)[C@@H](N)COCCCCF 34a_100121572844_100000729493 [0,2,0,0,0,0|2,0,0]=4 16868 B14R0.138 CC(C)OC(=O)[C@@H](N)COCCCCO 34a_100121572844_100011216708 [0,2,0,0,0,0|2,0,0]=4 16869 B14R0.138 CCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210614 [0,2,0,0,0,0|1,0,1]=4 16870 B14R0.138 CCCCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011218727 [0,2,0,0,0,0|1,0,1]=4 16871 B14R0.138 CCCCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011218727 [0,2,0,0,0,0|1,0,1]=4 16872 B14R0.138 CCCCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011218727 [0,2,0,0,0,0|1,0,1]=4 16873 B14R0.138 CCCCCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011218727 [0,2,0,0,0,0|1,0,0]=3 16874 B14R0.138 CCCCCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011218727 [0,2,0,0,0,0|2,0,0]=4 16875 B14R0.138 CCCCCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011218727 [0,2,0,0,0,0|1,0,0]=3 16876 B14R0.138 CCCCCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011218727 [0,2,0,0,0,0|2,0,0]=4 16877 B14R0.138 CCCCCCCN(C)C(=O)CC(C)C 11a_100000228206_100000210554 [0,2,0,0,0,0|2,0,0]=4 16878 B14R0.138 CCCCCCCN(C)C(=O)CC(C)C 1626a_100000228206_100000210554 [0,2,0,0,0,0|2,0,0]=4 16879 B14R0.138 CCCCCCCN(C)C(=O)CC(C)C 240690a_100000228206_100000210554 [0,2,0,0,0,0|2,0,0]=4 16880 B14R0.138 CCCCCCCN(C)C(=O)CC(C)C 527a_100000228206_100000210554 [0,2,0,0,0,0|2,0,0]=4 16881 B14R0.138 CCCCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000228206_100011933948 [0,2,0,0,0,0|2,0,0]=4 16882 B14R0.138 CCCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000228206 [0,2,0,0,0,0|2,0,0]=4 16883 B14R0.138 CCCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000228206 [0,2,0,0,0,0|2,0,0]=4 16884 B14R0.138 CCCCCCNC(C)C(=O)NC(C)C 2230a_100000210581_100000195394 [0,2,0,0,0,0|2,0,0]=4 16885 B14R0.138 CCCCCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210314 [0,2,0,0,0,0|2,0,0]=4 16886 B14R0.138 CCCCCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210314 [0,2,0,0,0,0|2,0,0]=4 16887 B14R0.138 CCCCCCOC(C)C(=O)NC(C)C 34a_100000210259_100000195394 [0,2,0,0,0,0|2,0,0]=4 16888 B14R0.138 CCCCCCOC(C)C(=O)NC(C)C 7a_100000210259_100000195394 [0,2,0,0,0,0|2,0,0]=4 16889 B14R0.138 CCCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210314 [0,2,0,0,0,0|1,0,0]=3 16890 B14R0.138 CCCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210314 [0,2,0,0,0,0|1,0,0]=3 16891 B14R0.138 CCCCCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210757 [0,2,0,0,0,0|2,0,0]=4 16892 B14R0.138 CCCCCCSC(C)C(=O)NC(C)C 62a_100000210314_100000195394 [0,2,0,0,0,0|2,0,0]=4 16893 B14R0.138 CCCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000718602 [0,2,0,0,0,0|1,0,0]=3 16894 B14R0.138 CCCCOCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011995733 [0,2,0,0,0,0|2,0,0]=4 16895 B14R0.138 CCCOCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011215938 [0,2,0,0,0,0|2,0,0]=4 16896 B14R0.138 CCCOCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100011215938 [0,2,0,0,0,0|2,0,0]=4 16897 B14R0.138 CCOCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100012232248 [0,2,0,0,0,0|2,0,0]=4 16898 B14R0.138 CCOCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100012232248 [0,2,0,0,0,0|2,0,0]=4 16899 B14R0.138 CCOCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210147 [0,2,0,0,0,0|2,0,0]=4 16900 B14R0.138 CCSCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000757381 [0,2,0,0,0,0|2,0,0]=4 16901 B14R0.138 COCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000755781 [0,2,0,0,0,0|2,0,0]=4 16902 B14R0.138 COCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000730899 [0,2,0,0,0,0|2,0,0]=4 16903 B14R0.138 COCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000740836 [0,2,0,0,0,0|2,0,0]=4 16904 B14R0.143 C/C=C(\C)/C(=O)C(C)CCCCCCC 1458a_100020587367_200011218727 [0,2,0,0,0,0|1,0,1]=4 16905 B14R0.143 CCCCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218727 [0,2,0,0,0,0|2,0,0]=4 16906 B14R0.143 CCCCCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011218727 [0,2,0,0,0,0|1,0,0]=3 16907 B14R0.143 CCCCCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011218727 [0,2,0,0,0,0|2,0,0]=4 16908 B14R0.143 CCCCCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011218727 [0,2,0,0,0,0|2,0,0]=4 16909 B14R0.143 CCCCCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011218727 [0,2,0,0,0,0|1,0,0]=3 16910 B14R0.143 CCCCCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011218727 [0,2,0,0,0,0|2,0,0]=4 16911 B14R0.143 CCCCCCCN(C)C(=O)C(C)CC 11a_100000228206_100011192722 [0,2,0,0,0,0|2,0,0]=4 16912 B14R0.143 CCCCCCCN(C)C(=O)C(C)CC 1626a_100000228206_100011192722 [0,2,0,0,0,0|2,0,0]=4 16913 B14R0.143 CCCCCCCN(C)C(=O)C(C)CC 240690a_100000228206_100011192722 [0,2,0,0,0,0|2,0,0]=4 16914 B14R0.143 CCCCCCCN(C)C(=O)C(C)CC 527a_100000228206_100011192722 [0,2,0,0,0,0|2,0,0]=4 16915 B14R0.143 CCCCCCCN(C)C(=O)C(O)CC 240690a_100000228206_100011196387 [0,2,0,0,0,0|2,0,0]=4 16916 B14R0.143 CCCCCCNC(C)C(=O)N(C)CC 2230a_100000210581_200012002205 [0,2,0,0,0,0|2,0,0]=4 16917 B14R0.143 CCCCCCOC(C)C(=O)N(C)CC 34a_100000210259_200012002205 [0,2,0,0,0,0|2,0,0]=4 16918 B14R0.143 CCCCCCOC(C)C(=O)N(C)CC 7a_100000210259_200012002205 [0,2,0,0,0,0|2,0,0]=4 16919 B14R0.143 CCCCCCSC(C)C(=O)N(C)CC 62a_100000210314_200012002205 [0,2,0,0,0,0|2,0,0]=4 16920 B14R0.143 CCCCCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210757 [0,2,0,0,0,0|2,0,0]=4 16921 B14R0.486 CCCCCCCN(CC)C(=O)CCC 11a_100000228213_100000211992 [0,2,0,0,0,0|2,0,0]=4 16922 B14R0.486 CCCCCCCN(CC)C(=O)CCC 1626a_100000228213_100000211992 [0,2,0,0,0,0|2,0,0]=4 16923 B14R0.486 CCCCCCCN(CC)C(=O)CCC 240690a_100000228213_100000211992 [0,2,0,0,0,0|2,0,0]=4 16924 B14R0.486 CCCCCCCN(CC)C(=O)CCC 527a_100000228213_100000211992 [0,2,0,0,0,0|2,0,0]=4 16925 B14R0.486 CCCCCCCN(CC)C(=O)NCC 2708a_100015525214_100000228213 [0,2,0,0,0,0|2,0,0]=4 16926 B14R0.486 CCCCCCCN(CC)C(=O)NCC 273464a_100015525214_100000228213 [0,2,0,0,0,0|2,0,0]=4 16927 B14R0.486 CCCCCCNC(CC)C(=O)OCC 2230a_100000210581_100000212269 [0,2,0,0,0,0|1,0,0]=3 16928 B14R0.486 CCCCCCOC(CC)C(=O)OCC 34a_100000210259_100000212269 [0,2,0,0,0,0|1,0,0]=3 16929 B14R0.486 CCCCCCOC(CC)C(=O)OCC 34a_100011216719_100000210314 [0,2,0,0,0,0|1,0,0]=3 16930 B14R0.486 CCCCCCOC(CC)C(=O)OCC 7a_100000210259_100000212269 [0,2,0,0,0,0|1,0,0]=3 16931 B14R0.486 CCCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210314 [0,2,0,0,0,0|1,0,0]=3 16932 B14R0.486 CCCCCCOC(SC)C(=O)OCC 34a_100000210259_100009893047 [0,2,0,0,0,0|1,0,0]=3 16933 B14R0.486 CCCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210757 [0,2,0,0,0,0|1,0,0]=3 16934 B14R0.486 CCCCCCSC(C=O)C(=O)OCC 62a_100000210314_100000053139 [0,2,0,0,0,0|1,0,0]=3 16935 B14R0.486 CCCCCCSC(CC)C(=O)OCC 62a_100000210314_100000212269 [0,2,0,0,0,0|1,0,0]=3 16936 B14R0.486 CCCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210757 [0,2,0,0,0,0|1,0,0]=3 16937 B14R0.486 CCCCCCSC(SC)C(=O)OCC 62a_100000210314_100009893047 [0,2,0,0,0,0|1,0,0]=3 16938 B14R0.486 CCCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210757 [0,2,0,0,0,0|1,0,0]=3 16939 B14R0.486 CCCCOCOC(CC)C(=O)OCC 34a_100011216719_100011995733 [0,2,0,0,0,0|2,0,0]=4 16940 B14R0.486 CCCCOCSC(C=O)C(=O)OCC 62a_100000053139_100011995733 [0,2,0,0,0,0|2,0,0]=4 16941 B14R0.486 CCCCOCSC(C=O)C(=O)OCC 62a_100011995733_100000053139 [0,2,0,0,0,0|2,0,0]=4 16942 B14R0.486 CCCCOCSC(CC)C(=O)OCC 62a_100000212269_100011995733 [0,2,0,0,0,0|2,0,0]=4 16943 B14R0.486 CCCCOCSC(CC)C(=O)OCC 62a_100011995733_100000212269 [0,2,0,0,0,0|2,0,0]=4 16944 B14R0.486 CCCCOCSC(SC)C(=O)OCC 62a_100009893047_100011995733 [0,2,0,0,0,0|2,0,0]=4 16945 B14R0.486 CCCCOCSC(SC)C(=O)OCC 62a_100011995733_100009893047 [0,2,0,0,0,0|2,0,0]=4 16946 B14R0.486 CCCOCCNC(CC)C(=O)OCC 2230a_100161115042_100000212269 [0,2,0,0,0,0|2,0,0]=4 16947 B14R0.486 CCCOCCNC(CC)C(=O)OCC 34a_100161115042_100000212269 [0,2,0,0,0,0|2,0,0]=4 16948 B14R0.486 CCCOCCNC(SC)C(=O)OCC 34a_100161115042_100009893047 [0,2,0,0,0,0|2,0,0]=4 16949 B14R0.486 CCCOCCOC(CC)C(=O)OCC 34a_100000752267_100000212269 [0,2,0,0,0,0|2,0,0]=4 16950 B14R0.486 CCCOCCOC(CC)C(=O)OCC 34a_100011216719_100011215938 [0,2,0,0,0,0|2,0,0]=4 16951 B14R0.486 CCCOCCOC(CC)C(=O)OCC 7a_100000752267_100000212269 [0,2,0,0,0,0|2,0,0]=4 16952 B14R0.486 CCCOCCOC(CC)C(=O)OCC 7a_100011216719_100011215938 [0,2,0,0,0,0|2,0,0]=4 16953 B14R0.486 CCCOCCOC(SC)C(=O)OCC 34a_100000752267_100009893047 [0,2,0,0,0,0|2,0,0]=4 16954 B14R0.486 CCCOCCSC(C=O)C(=O)OCC 62a_100000053139_100011215938 [0,2,0,0,0,0|2,0,0]=4 16955 B14R0.486 CCCOCCSC(C=O)C(=O)OCC 62a_100011215938_100000053139 [0,2,0,0,0,0|2,0,0]=4 16956 B14R0.486 CCCOCCSC(CC)C(=O)OCC 62a_100000212269_100011215938 [0,2,0,0,0,0|2,0,0]=4 16957 B14R0.486 CCCOCCSC(CC)C(=O)OCC 62a_100011215938_100000212269 [0,2,0,0,0,0|2,0,0]=4 16958 B14R0.486 CCCOCCSC(SC)C(=O)OCC 62a_100009893047_100011215938 [0,2,0,0,0,0|2,0,0]=4 16959 B14R0.486 CCCOCCSC(SC)C(=O)OCC 62a_100011215938_100009893047 [0,2,0,0,0,0|2,0,0]=4 16960 B14R0.486 CCCSCCNC(CC)C(=O)OCC 2230a_100020603323_100000212269 [0,2,0,0,0,0|2,0,0]=4 16961 B14R0.486 CCCSCCOC(CC)C(=O)OCC 34a_200000230433_100000212269 [0,2,0,0,0,0|2,0,0]=4 16962 B14R0.486 CCCSCCOC(CC)C(=O)OCC 7a_200000230433_100000212269 [0,2,0,0,0,0|2,0,0]=4 16963 B14R0.486 CCCSCCOC(SC)C(=O)OCC 34a_200000230433_100009893047 [0,2,0,0,0,0|2,0,0]=4 16964 B14R0.486 CCOC(=O)C(C=O)SCCCCCF 62a_100000053139_100000729378 [0,2,0,0,0,0|2,0,0]=4 16965 B14R0.486 CCOC(=O)C(C=O)SCCCCCF 62a_100000729378_100000053139 [0,2,0,0,0,0|2,0,0]=4 16966 B14R0.486 CCOC(=O)C(C=O)SCCCCCO 62a_100000053139_100000746330 [0,2,0,0,0,0|2,0,0]=4 16967 B14R0.486 CCOC(=O)C(C=O)SCCCCCO 62a_100000746330_100000053139 [0,2,0,0,0,0|2,0,0]=4 16968 B14R0.486 CCOC(=O)C(C=O)SCCCCOC 62a_100000053139_100000730899 [0,2,0,0,0,0|2,0,0]=4 16969 B14R0.486 CCOC(=O)C(C=O)SCCCCOC 62a_100000730899_100000053139 [0,2,0,0,0,0|2,0,0]=4 16970 B14R0.486 CCOC(=O)C(CC)NCCCCCO 2230a_100000762737_100000212269 [0,2,0,0,0,0|2,0,0]=4 16971 B14R0.486 CCOC(=O)C(CC)NCCCCCO 34a_100000762737_100000212269 [0,2,0,0,0,0|2,0,0]=4 16972 B14R0.486 CCOC(=O)C(CC)OCCCCCBr 34a_100000746331_100000212269 [0,2,0,0,0,0|2,0,0]=4 16973 B14R0.486 CCOC(=O)C(CC)OCCCCCBr 7a_100000746331_100000212269 [0,2,0,0,0,0|2,0,0]=4 16974 B14R0.486 CCOC(=O)C(CC)OCCCCCCl 34a_100000746330_100000212269 [0,2,0,0,0,0|2,0,0]=4 16975 B14R0.486 CCOC(=O)C(CC)OCCCCCCl 7a_100000746330_100000212269 [0,2,0,0,0,0|2,0,0]=4 16976 B14R0.486 CCOC(=O)C(CC)OCCCCCF 34a_100011216719_100000729378 [0,2,0,0,0,0|2,0,0]=4 16977 B14R0.486 CCOC(=O)C(CC)OCCCCCF 7a_100011216719_100000729378 [0,2,0,0,0,0|2,0,0]=4 16978 B14R0.486 CCOC(=O)C(CC)OCCCCCI 34a_200012148887_100000212269 [0,2,0,0,0,0|2,0,0]=4 16979 B14R0.486 CCOC(=O)C(CC)OCCCCCI 7a_200012148887_100000212269 [0,2,0,0,0,0|2,0,0]=4 16980 B14R0.486 CCOC(=O)C(CC)OCCCCCN 34a_100000762737_100000212269 [0,2,0,0,0,0|2,0,0]=4 16981 B14R0.486 CCOC(=O)C(CC)OCCCCCO 34a_100011216719_100000746330 [0,2,0,0,0,0|2,0,0]=4 16982 B14R0.486 CCOC(=O)C(CC)OCCCCCO 7a_100011216719_100000746330 [0,2,0,0,0,0|2,0,0]=4 16983 B14R0.486 CCOC(=O)C(CC)OCCCCOC 34a_100000740925_100000212269 [0,2,0,0,0,0|2,0,0]=4 16984 B14R0.486 CCOC(=O)C(CC)OCCCCOC 34a_100011216719_100000755781 [0,2,0,0,0,0|2,0,0]=4 16985 B14R0.486 CCOC(=O)C(CC)OCCCCOC 7a_100011216719_100000730899 [0,2,0,0,0,0|2,0,0]=4 16986 B14R0.486 CCOC(=O)C(CC)OCCCCSC 34a_100011217163_100000212269 [0,2,0,0,0,0|2,0,0]=4 16987 B14R0.486 CCOC(=O)C(CC)OCCCCSC 7a_100011217163_100000212269 [0,2,0,0,0,0|2,0,0]=4 16988 B14R0.486 CCOC(=O)C(CC)OCCCSCC 34a_100011216438_100000212269 [0,2,0,0,0,0|2,0,0]=4 16989 B14R0.486 CCOC(=O)C(CC)OCCCSCC 7a_100011216438_100000212269 [0,2,0,0,0,0|2,0,0]=4 16990 B14R0.486 CCOC(=O)C(CC)SCCCCCF 62a_100000212269_100000729378 [0,2,0,0,0,0|2,0,0]=4 16991 B14R0.486 CCOC(=O)C(CC)SCCCCCF 62a_100000729378_100000212269 [0,2,0,0,0,0|2,0,0]=4 16992 B14R0.486 CCOC(=O)C(CC)SCCCCCO 62a_100000212269_100000746330 [0,2,0,0,0,0|2,0,0]=4 16993 B14R0.486 CCOC(=O)C(CC)SCCCCCO 62a_100000746330_100000212269 [0,2,0,0,0,0|2,0,0]=4 16994 B14R0.486 CCOC(=O)C(CC)SCCCCOC 62a_100000212269_100000730899 [0,2,0,0,0,0|2,0,0]=4 16995 B14R0.486 CCOC(=O)C(CC)SCCCCOC 62a_100000730899_100000212269 [0,2,0,0,0,0|2,0,0]=4 16996 B14R0.486 CCOC(=O)C(NCCCCCO)SC 34a_100000762737_100009893047 [0,2,0,0,0,0|2,0,0]=4 16997 B14R0.486 CCOC(=O)C(OCCCCCBr)SC 34a_100000746331_100009893047 [0,2,0,0,0,0|2,0,0]=4 16998 B14R0.486 CCOC(=O)C(OCCCCCCl)SC 34a_100000746330_100009893047 [0,2,0,0,0,0|2,0,0]=4 16999 B14R0.486 CCOC(=O)C(OCCCCCI)SC 34a_200012148887_100009893047 [0,2,0,0,0,0|2,0,0]=4 17000 B14R0.486 CCOC(=O)C(OCCCCCN)SC 34a_100000762737_100009893047 [0,2,0,0,0,0|2,0,0]=4 17001 B14R0.486 CCOC(=O)C(OCCCCOC)SC 34a_100000740925_100009893047 [0,2,0,0,0,0|2,0,0]=4 17002 B14R0.486 CCOC(=O)C(OCCCCSC)SC 34a_100011217163_100009893047 [0,2,0,0,0,0|2,0,0]=4 17003 B14R0.486 CCOC(=O)C(OCCCSCC)SC 34a_100011216438_100009893047 [0,2,0,0,0,0|2,0,0]=4 17004 B14R0.486 CCOC(=O)C(SC)SCCCCCF 62a_100000729378_100009893047 [0,2,0,0,0,0|2,0,0]=4 17005 B14R0.486 CCOC(=O)C(SC)SCCCCCF 62a_100009893047_100000729378 [0,2,0,0,0,0|2,0,0]=4 17006 B14R0.486 CCOC(=O)C(SC)SCCCCCO 62a_100000746330_100009893047 [0,2,0,0,0,0|2,0,0]=4 17007 B14R0.486 CCOC(=O)C(SC)SCCCCCO 62a_100009893047_100000746330 [0,2,0,0,0,0|2,0,0]=4 17008 B14R0.486 CCOC(=O)C(SC)SCCCCOC 62a_100000730899_100009893047 [0,2,0,0,0,0|2,0,0]=4 17009 B14R0.486 CCOC(=O)C(SC)SCCCCOC 62a_100009893047_100000730899 [0,2,0,0,0,0|2,0,0]=4 17010 B14R0.486 CCOCCCNC(CC)C(=O)OCC 2230a_100000210961_100000212269 [0,2,0,0,0,0|2,0,0]=4 17011 B14R0.486 CCOCCCNC(CC)C(=O)OCC 34a_100000210961_100000212269 [0,2,0,0,0,0|2,0,0]=4 17012 B14R0.486 CCOCCCNC(SC)C(=O)OCC 34a_100000210961_100009893047 [0,2,0,0,0,0|2,0,0]=4 17013 B14R0.486 CCOCCCOC(CC)C(=O)OCC 34a_100000757476_100000212269 [0,2,0,0,0,0|2,0,0]=4 17014 B14R0.486 CCOCCCOC(CC)C(=O)OCC 34a_100011216719_100012232248 [0,2,0,0,0,0|2,0,0]=4 17015 B14R0.486 CCOCCCOC(CC)C(=O)OCC 7a_100000757476_100000212269 [0,2,0,0,0,0|2,0,0]=4 17016 B14R0.486 CCOCCCOC(CC)C(=O)OCC 7a_100011216719_100012232248 [0,2,0,0,0,0|2,0,0]=4 17017 B14R0.486 CCOCCCOC(SC)C(=O)OCC 34a_100000757476_100009893047 [0,2,0,0,0,0|2,0,0]=4 17018 B14R0.486 CCOCCCSC(C=O)C(=O)OCC 62a_100000053139_100012232248 [0,2,0,0,0,0|2,0,0]=4 17019 B14R0.486 CCOCCCSC(C=O)C(=O)OCC 62a_100012232248_100000053139 [0,2,0,0,0,0|2,0,0]=4 17020 B14R0.486 CCOCCCSC(CC)C(=O)OCC 62a_100000212269_100012232248 [0,2,0,0,0,0|2,0,0]=4 17021 B14R0.486 CCOCCCSC(CC)C(=O)OCC 62a_100012232248_100000212269 [0,2,0,0,0,0|2,0,0]=4 17022 B14R0.486 CCOCCCSC(SC)C(=O)OCC 62a_100009893047_100012232248 [0,2,0,0,0,0|2,0,0]=4 17023 B14R0.486 CCOCCCSC(SC)C(=O)OCC 62a_100012232248_100009893047 [0,2,0,0,0,0|2,0,0]=4 17024 B14R0.1821 CC#CC(=O)C(C)(C)CCCCCCC 1458a_100000763181_200000046972 [0,2,0,0,0,0|1,0,1]=4 17025 B14R0.1821 CC=CC(=O)C(C)(C)CCCCCCC 1458a_100000210699_200000046972 [0,2,0,0,0,0|1,0,1]=4 17026 B14R0.1821 CCCCCCCC(C)(C)C(=O)CCC 1458a_100000211992_200000046972 [0,2,0,0,0,0|1,0,0]=3 17027 B14R0.1821 CCCCCCCC(C)(C)C(=O)CCC 1458a_200011216102_100000210303 [0,2,0,0,0,0|1,0,0]=3 17028 B14R0.1821 CCCCCCCC(C)(C)C(=O)CCF 1458a_200011216102_100011217306 [0,2,0,0,0,0|2,0,0]=4 17029 B14R0.1821 CCCCCCCC(C)(C)C(=O)CCO 1458a_100011216618_200000046972 [0,2,0,0,0,0|2,0,0]=4 17030 B14R0.1821 CCCCCCCC(C)(C)C(=O)CCO 1458a_200011216102_100000211926 [0,2,0,0,0,0|2,0,0]=4 17031 B14R0.1821 CCCCCCCC(C)(C)C(=O)COC 1458a_100000210968_200000046972 [0,2,0,0,0,0|2,0,0]=4 17032 B14R0.1821 CCCCCCCC(C)(C)C(=O)CSC 1458a_100000184570_200000046972 [0,2,0,0,0,0|2,0,0]=4 17033 B14R0.1821 CCCCCCCC(C)(C)C(=O)NCC 11a_100015525214_200011216102 [0,2,0,0,0,0|1,0,0]=3 17034 B14R0.1821 CCCCCCCC(C)(C)C(=O)NCC 240690a_100015525214_200011216102 [0,2,0,0,0,0|1,0,0]=3 17035 B14R0.1821 CCCCCCCC(C)(C)C(=O)NCC 527a_100015525214_200011216102 [0,2,0,0,0,0|1,0,0]=3 17036 B14R0.1821 CCCCCCCC(C)(C)C(=O)NNC 22a_100016993582_200011216102 [0,2,0,0,0,0|2,0,0]=4 17037 B14R0.1821 CCCCCCNC(C)(C)C(=O)OCC 2230a_100000210581_100011216345 [0,2,0,0,0,0|1,0,0]=3 17038 B14R0.1821 CCCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210314 [0,2,0,0,0,0|1,0,0]=3 17039 B14R0.1821 CCCCCCOC(C)(C)C(=O)OCC 7a_100000210259_100011216345 [0,2,0,0,0,0|1,0,0]=3 17040 B14R0.1821 CCCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210314 [0,2,0,0,0,0|1,0,0]=3 17041 B14R0.1821 CCCCCCOC(F)(F)C(=O)OCC 34a_100000210259_100000210910 [0,2,0,0,0,0|1,0,0]=3 17042 B14R0.1821 CCCCCCOC(F)(F)C(=O)OCC 7a_100000210259_100000210910 [0,2,0,0,0,0|1,0,0]=3 17043 B14R0.1821 CCCCCCSC(C)(C)C(=O)OCC 62a_100000210314_100011216345 [0,2,0,0,0,0|1,0,0]=3 17044 B14R0.1821 CCCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210757 [0,2,0,0,0,0|1,0,0]=3 17045 B14R0.1821 CCCCCCSC(F)(F)C(=O)OCC 62a_100000210314_100000210910 [0,2,0,0,0,0|1,0,0]=3 17046 B14R0.1821 CCCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210757 [0,2,0,0,0,0|1,0,0]=3 17047 B14R0.1821 CCCCCNCC(C)(C)C(=O)OCC 2230a_100000209983_100011219049 [0,2,0,0,0,0|1,0,0]=3 17048 B14R0.1821 CCCCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210326 [0,2,0,0,0,0|1,0,0]=3 17049 B14R0.1821 CCCCCOCC(F)(F)C(=O)OCC 34a_100000210253_100009817193 [0,2,0,0,0,0|1,0,0]=3 17050 B14R0.1821 CCCCCSCC(C)(C)C(=O)NCC 62a_100000210326_100011895991 [0,2,0,0,0,0|2,0,0]=4 17051 B14R0.1821 CCCCCSCC(C)(C)C(=O)NCC 62a_100011895991_100000210326 [0,2,0,0,0,0|2,0,0]=4 17052 B14R0.1821 CCCCCSCC(C)(C)C(=O)OCC 62a_100000210326_100011219049 [0,2,0,0,0,0|1,0,0]=3 17053 B14R0.1821 CCCCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210326 [0,2,0,0,0,0|1,0,0]=3 17054 B14R0.1821 CCCCCSCC(F)(F)C(=O)OCC 62a_100000210326_100009817193 [0,2,0,0,0,0|1,0,0]=3 17055 B14R0.1821 CCCCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210326 [0,2,0,0,0,0|1,0,0]=3 17056 B14R0.1821 CCCCOCOC(C)(C)C(=O)OCC 34a_100000686869_100011995733 [0,2,0,0,0,0|2,0,0]=4 17057 B14R0.1821 CCCCOCSC(C)(C)C(=O)OCC 62a_100011216345_100011995733 [0,2,0,0,0,0|2,0,0]=4 17058 B14R0.1821 CCCCOCSC(C)(C)C(=O)OCC 62a_100011995733_100011216345 [0,2,0,0,0,0|2,0,0]=4 17059 B14R0.1821 CCCCOCSC(F)(F)C(=O)OCC 62a_100000210910_100011995733 [0,2,0,0,0,0|2,0,0]=4 17060 B14R0.1821 CCCCOCSC(F)(F)C(=O)OCC 62a_100011995733_100000210910 [0,2,0,0,0,0|2,0,0]=4 17061 B14R0.1821 CCCOCCNC(C)(C)C(=O)OCC 2230a_100161115042_100011216345 [0,2,0,0,0,0|2,0,0]=4 17062 B14R0.1821 CCCOCCNC(F)(F)C(=O)OCC 34a_100161115042_100000210910 [0,2,0,0,0,0|2,0,0]=4 17063 B14R0.1821 CCCOCCOC(C)(C)C(=O)OCC 34a_100000686869_100011215938 [0,2,0,0,0,0|2,0,0]=4 17064 B14R0.1821 CCCOCCOC(C)(C)C(=O)OCC 7a_100000686869_100011215938 [0,2,0,0,0,0|2,0,0]=4 17065 B14R0.1821 CCCOCCOC(C)(C)C(=O)OCC 7a_100000752267_100011216345 [0,2,0,0,0,0|2,0,0]=4 17066 B14R0.1821 CCCOCCOC(F)(F)C(=O)OCC 34a_100000752267_100000210910 [0,2,0,0,0,0|2,0,0]=4 17067 B14R0.1821 CCCOCCOC(F)(F)C(=O)OCC 7a_100000752267_100000210910 [0,2,0,0,0,0|2,0,0]=4 17068 B14R0.1821 CCCOCCSC(C)(C)C(=O)OCC 62a_100011215938_100011216345 [0,2,0,0,0,0|2,0,0]=4 17069 B14R0.1821 CCCOCCSC(C)(C)C(=O)OCC 62a_100011216345_100011215938 [0,2,0,0,0,0|2,0,0]=4 17070 B14R0.1821 CCCOCCSC(F)(F)C(=O)OCC 62a_100000210910_100011215938 [0,2,0,0,0,0|2,0,0]=4 17071 B14R0.1821 CCCOCCSC(F)(F)C(=O)OCC 62a_100011215938_100000210910 [0,2,0,0,0,0|2,0,0]=4 17072 B14R0.1821 CCCSCCNC(C)(C)C(=O)OCC 2230a_100020603323_100011216345 [0,2,0,0,0,0|2,0,0]=4 17073 B14R0.1821 CCCSCCOC(C)(C)C(=O)OCC 7a_200000230433_100011216345 [0,2,0,0,0,0|2,0,0]=4 17074 B14R0.1821 CCCSCCOC(F)(F)C(=O)OCC 34a_200000230433_100000210910 [0,2,0,0,0,0|2,0,0]=4 17075 B14R0.1821 CCCSCCOC(F)(F)C(=O)OCC 7a_200000230433_100000210910 [0,2,0,0,0,0|2,0,0]=4 17076 B14R0.1821 CCNCCCCC(C)(C)C(=O)OCC 2230a_100015525214_100010737182 [0,2,0,0,0,0|1,0,0]=3 17077 B14R0.1821 CCOC(=O)C(C)(C)CCCCCNC 2230a_106832991635_100010999646 [0,2,0,0,0,0|1,0,0]=3 17078 B14R0.1821 CCOC(=O)C(C)(C)CCCCCNC 34a_100102657272_100010999646 [0,2,0,0,0,0|1,0,0]=3 17079 B14R0.1821 CCOC(=O)C(C)(C)CCCCCNC 7a_106832991635_100010999646 [0,2,0,0,0,0|1,0,0]=3 17080 B14R0.1821 CCOC(=O)C(C)(C)CCCCCOC 34a_100138415774_100010999646 [0,2,0,0,0,0|1,0,0]=3 17081 B14R0.1821 CCOC(=O)C(C)(C)CCCCCSC 62a_100010999646_200000210301 [0,2,0,0,0,0|1,0,0]=3 17082 B14R0.1821 CCOC(=O)C(C)(C)CCCCCSC 62a_200000210301_100010999646 [0,2,0,0,0,0|1,0,0]=3 17083 B14R0.1821 CCOC(=O)C(C)(C)CCCCCS[13CH3] 62a_100010999646_200025704644 [0,2,0,0,0,0|1,0,0]=3 17084 B14R0.1821 CCOC(=O)C(C)(C)CCCCCS[13CH3] 62a_200025704644_100010999646 [0,2,0,0,0,0|1,0,0]=3 17085 B14R0.1821 CCOC(=O)C(C)(C)CCCCSCC 62a_100000210202_100010737182 [0,2,0,0,0,0|1,0,0]=3 17086 B14R0.1821 CCOC(=O)C(C)(C)CCCCSCC 62a_100010737182_100000210202 [0,2,0,0,0,0|1,0,0]=3 17087 B14R0.1821 CCOC(=O)C(C)(C)CCCCSCF 62a_100010737182_100015361967 [0,2,0,0,0,0|2,0,0]=4 17088 B14R0.1821 CCOC(=O)C(C)(C)CCCCSCF 62a_100015361967_100010737182 [0,2,0,0,0,0|2,0,0]=4 17089 B14R0.1821 CCOC(=O)C(C)(C)CNCCCCO 2230a_100000750430_100011219049 [0,2,0,0,0,0|2,0,0]=4 17090 B14R0.1821 CCOC(=O)C(C)(C)CNCCCSC 2230a_100000749238_100011219049 [0,2,0,0,0,0|2,0,0]=4 17091 B14R0.1821 CCOC(=O)C(C)(C)CNCCSCC 2230a_100000106463_100011219049 [0,2,0,0,0,0|2,0,0]=4 17092 B14R0.1821 CCOC(=O)C(C)(C)COCCCCF 7a_100011765865_100000729493 [0,2,0,0,0,0|2,0,0]=4 17093 B14R0.1821 CCOC(=O)C(C)(C)COCCCCO 7a_100011765865_100000210776 [0,2,0,0,0,0|2,0,0]=4 17094 B14R0.1821 CCOC(=O)C(C)(C)COCCCOC 7a_100011765865_100000740836 [0,2,0,0,0,0|2,0,0]=4 17095 B14R0.1821 CCOC(=O)C(C)(C)COCCSCC 7a_100011765865_100000757381 [0,2,0,0,0,0|2,0,0]=4 17096 B14R0.1821 CCOC(=O)C(C)(C)CSCCCCF 62a_100000729493_100011219049 [0,2,0,0,0,0|2,0,0]=4 17097 B14R0.1821 CCOC(=O)C(C)(C)CSCCCCF 62a_100011219049_100000729493 [0,2,0,0,0,0|2,0,0]=4 17098 B14R0.1821 CCOC(=O)C(C)(C)CSCCCCO 62a_100000210776_100011219049 [0,2,0,0,0,0|2,0,0]=4 17099 B14R0.1821 CCOC(=O)C(C)(C)CSCCCCO 62a_100011219049_100000210776 [0,2,0,0,0,0|2,0,0]=4 17100 B14R0.1821 CCOC(=O)C(C)(C)CSCCCOC 62a_100000709357_100011219049 [0,2,0,0,0,0|2,0,0]=4 17101 B14R0.1821 CCOC(=O)C(C)(C)CSCCCOC 62a_100011219049_100000709357 [0,2,0,0,0,0|2,0,0]=4 17102 B14R0.1821 CCOC(=O)C(C)(C)CSCCSCC 62a_100000757381_100011219049 [0,2,0,0,0,0|2,0,0]=4 17103 B14R0.1821 CCOC(=O)C(C)(C)CSCCSCC 62a_100011219049_100000757381 [0,2,0,0,0,0|2,0,0]=4 17104 B14R0.1821 CCOC(=O)C(C)(C)NCCCCCO 2230a_100000762737_100011216345 [0,2,0,0,0,0|2,0,0]=4 17105 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCBr 7a_100000746331_100011216345 [0,2,0,0,0,0|2,0,0]=4 17106 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCCl 7a_100000746330_100011216345 [0,2,0,0,0,0|2,0,0]=4 17107 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCF 34a_100000686869_100000729378 [0,2,0,0,0,0|2,0,0]=4 17108 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCF 7a_100000686869_100000729378 [0,2,0,0,0,0|2,0,0]=4 17109 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCI 7a_200012148887_100011216345 [0,2,0,0,0,0|2,0,0]=4 17110 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCO 34a_100000686869_100000746330 [0,2,0,0,0,0|2,0,0]=4 17111 B14R0.1821 CCOC(=O)C(C)(C)OCCCCCO 7a_100000686869_100000746330 [0,2,0,0,0,0|2,0,0]=4 17112 B14R0.1821 CCOC(=O)C(C)(C)OCCCCOC 34a_100000686869_100000755781 [0,2,0,0,0,0|2,0,0]=4 17113 B14R0.1821 CCOC(=O)C(C)(C)OCCCCOC 7a_100000686869_100000730899 [0,2,0,0,0,0|2,0,0]=4 17114 B14R0.1821 CCOC(=O)C(C)(C)OCCCCSC 7a_100011217163_100011216345 [0,2,0,0,0,0|2,0,0]=4 17115 B14R0.1821 CCOC(=O)C(C)(C)OCCCSCC 7a_100011216438_100011216345 [0,2,0,0,0,0|2,0,0]=4 17116 B14R0.1821 CCOC(=O)C(C)(C)SCCCCCF 62a_100000729378_100011216345 [0,2,0,0,0,0|2,0,0]=4 17117 B14R0.1821 CCOC(=O)C(C)(C)SCCCCCF 62a_100011216345_100000729378 [0,2,0,0,0,0|2,0,0]=4 17118 B14R0.1821 CCOC(=O)C(C)(C)SCCCCCO 62a_100000746330_100011216345 [0,2,0,0,0,0|2,0,0]=4 17119 B14R0.1821 CCOC(=O)C(C)(C)SCCCCCO 62a_100011216345_100000746330 [0,2,0,0,0,0|2,0,0]=4 17120 B14R0.1821 CCOC(=O)C(C)(C)SCCCCOC 62a_100000730899_100011216345 [0,2,0,0,0,0|2,0,0]=4 17121 B14R0.1821 CCOC(=O)C(C)(C)SCCCCOC 62a_100011216345_100000730899 [0,2,0,0,0,0|2,0,0]=4 17122 B14R0.1821 CCOC(=O)C(F)(F)CNCCCCO 34a_100000750430_100009817193 [0,2,0,0,0,0|2,0,0]=4 17123 B14R0.1821 CCOC(=O)C(F)(F)CNCCCOC 34a_100150723488_100009817193 [0,2,0,0,0,0|2,0,0]=4 17124 B14R0.1821 CCOC(=O)C(F)(F)COCCCCBr 34a_100011216708_100009817193 [0,2,0,0,0,0|2,0,0]=4 17125 B14R0.1821 CCOC(=O)C(F)(F)COCCCCCl 34a_100000210776_100009817193 [0,2,0,0,0,0|2,0,0]=4 17126 B14R0.1821 CCOC(=O)C(F)(F)COCCCCF 34a_100011995726_100009817193 [0,2,0,0,0,0|2,0,0]=4 17127 B14R0.1821 CCOC(=O)C(F)(F)COCCCCI 34a_200012148704_100009817193 [0,2,0,0,0,0|2,0,0]=4 17128 B14R0.1821 CCOC(=O)C(F)(F)COCCCCN 34a_100000750430_100009817193 [0,2,0,0,0,0|2,0,0]=4 17129 B14R0.1821 CCOC(=O)C(F)(F)COCCCNC 34a_100000213112_100009817193 [0,2,0,0,0,0|2,0,0]=4 17130 B14R0.1821 CCOC(=O)C(F)(F)COCCCOC 34a_100000740835_100009817193 [0,2,0,0,0,0|2,0,0]=4 17131 B14R0.1821 CCOC(=O)C(F)(F)COCCCSC 34a_100000690336_100009817193 [0,2,0,0,0,0|2,0,0]=4 17132 B14R0.1821 CCOC(=O)C(F)(F)COCCSCC 34a_100000212035_100009817193 [0,2,0,0,0,0|2,0,0]=4 17133 B14R0.1821 CCOC(=O)C(F)(F)CSCCCCF 62a_100000729493_100009817193 [0,2,0,0,0,0|2,0,0]=4 17134 B14R0.1821 CCOC(=O)C(F)(F)CSCCCCF 62a_100009817193_100000729493 [0,2,0,0,0,0|2,0,0]=4 17135 B14R0.1821 CCOC(=O)C(F)(F)CSCCCCO 62a_100000210776_100009817193 [0,2,0,0,0,0|2,0,0]=4 17136 B14R0.1821 CCOC(=O)C(F)(F)CSCCCCO 62a_100009817193_100000210776 [0,2,0,0,0,0|2,0,0]=4 17137 B14R0.1821 CCOC(=O)C(F)(F)CSCCCOC 62a_100000709357_100009817193 [0,2,0,0,0,0|2,0,0]=4 17138 B14R0.1821 CCOC(=O)C(F)(F)CSCCCOC 62a_100009817193_100000709357 [0,2,0,0,0,0|2,0,0]=4 17139 B14R0.1821 CCOC(=O)C(F)(F)CSCCSCC 62a_100000757381_100009817193 [0,2,0,0,0,0|2,0,0]=4 17140 B14R0.1821 CCOC(=O)C(F)(F)CSCCSCC 62a_100009817193_100000757381 [0,2,0,0,0,0|2,0,0]=4 17141 B14R0.1821 CCOC(=O)C(F)(F)NCCCCCO 34a_100000762737_100000210910 [0,2,0,0,0,0|2,0,0]=4 17142 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCBr 34a_100000746331_100000210910 [0,2,0,0,0,0|2,0,0]=4 17143 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCBr 7a_100000746331_100000210910 [0,2,0,0,0,0|2,0,0]=4 17144 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCCl 34a_100000746330_100000210910 [0,2,0,0,0,0|2,0,0]=4 17145 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCCl 7a_100000746330_100000210910 [0,2,0,0,0,0|2,0,0]=4 17146 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCI 34a_200012148887_100000210910 [0,2,0,0,0,0|2,0,0]=4 17147 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCI 7a_200012148887_100000210910 [0,2,0,0,0,0|2,0,0]=4 17148 B14R0.1821 CCOC(=O)C(F)(F)OCCCCCN 34a_100000762737_100000210910 [0,2,0,0,0,0|2,0,0]=4 17149 B14R0.1821 CCOC(=O)C(F)(F)OCCCCOC 34a_100000740925_100000210910 [0,2,0,0,0,0|2,0,0]=4 17150 B14R0.1821 CCOC(=O)C(F)(F)OCCCCSC 34a_100011217163_100000210910 [0,2,0,0,0,0|2,0,0]=4 17151 B14R0.1821 CCOC(=O)C(F)(F)OCCCCSC 7a_100011217163_100000210910 [0,2,0,0,0,0|2,0,0]=4 17152 B14R0.1821 CCOC(=O)C(F)(F)OCCCSCC 34a_100011216438_100000210910 [0,2,0,0,0,0|2,0,0]=4 17153 B14R0.1821 CCOC(=O)C(F)(F)OCCCSCC 7a_100011216438_100000210910 [0,2,0,0,0,0|2,0,0]=4 17154 B14R0.1821 CCOC(=O)C(F)(F)SCCCCCF 62a_100000210910_100000729378 [0,2,0,0,0,0|2,0,0]=4 17155 B14R0.1821 CCOC(=O)C(F)(F)SCCCCCF 62a_100000729378_100000210910 [0,2,0,0,0,0|2,0,0]=4 17156 B14R0.1821 CCOC(=O)C(F)(F)SCCCCCO 62a_100000210910_100000746330 [0,2,0,0,0,0|2,0,0]=4 17157 B14R0.1821 CCOC(=O)C(F)(F)SCCCCCO 62a_100000746330_100000210910 [0,2,0,0,0,0|2,0,0]=4 17158 B14R0.1821 CCOC(=O)C(F)(F)SCCCCOC 62a_100000210910_100000730899 [0,2,0,0,0,0|2,0,0]=4 17159 B14R0.1821 CCOC(=O)C(F)(F)SCCCCOC 62a_100000730899_100000210910 [0,2,0,0,0,0|2,0,0]=4 17160 B14R0.1821 CCOCCCCC(C)(C)C(=O)OCC 34a_100121572206_100010737182 [0,2,0,0,0,0|1,0,0]=3 17161 B14R0.1821 CCOCCCNC(C)(C)C(=O)OCC 2230a_100000210961_100011216345 [0,2,0,0,0,0|2,0,0]=4 17162 B14R0.1821 CCOCCCNC(F)(F)C(=O)OCC 34a_100000210961_100000210910 [0,2,0,0,0,0|2,0,0]=4 17163 B14R0.1821 CCOCCCOC(C)(C)C(=O)OCC 34a_100000686869_100012232248 [0,2,0,0,0,0|2,0,0]=4 17164 B14R0.1821 CCOCCCOC(C)(C)C(=O)OCC 7a_100000686869_100012232248 [0,2,0,0,0,0|2,0,0]=4 17165 B14R0.1821 CCOCCCOC(C)(C)C(=O)OCC 7a_100000757476_100011216345 [0,2,0,0,0,0|2,0,0]=4 17166 B14R0.1821 CCOCCCOC(F)(F)C(=O)OCC 34a_100000757476_100000210910 [0,2,0,0,0,0|2,0,0]=4 17167 B14R0.1821 CCOCCCOC(F)(F)C(=O)OCC 7a_100000757476_100000210910 [0,2,0,0,0,0|2,0,0]=4 17168 B14R0.1821 CCOCCCSC(C)(C)C(=O)OCC 62a_100011216345_100012232248 [0,2,0,0,0,0|2,0,0]=4 17169 B14R0.1821 CCOCCCSC(C)(C)C(=O)OCC 62a_100012232248_100011216345 [0,2,0,0,0,0|2,0,0]=4 17170 B14R0.1821 CCOCCCSC(F)(F)C(=O)OCC 62a_100000210910_100012232248 [0,2,0,0,0,0|2,0,0]=4 17171 B14R0.1821 CCOCCCSC(F)(F)C(=O)OCC 62a_100012232248_100000210910 [0,2,0,0,0,0|2,0,0]=4 17172 B14R0.1821 CCOCCNCC(C)(C)C(=O)OCC 2230a_102516460346_100011219049 [0,2,0,0,0,0|2,0,0]=4 17173 B14R0.1821 CCOCCNCC(F)(F)C(=O)OCC 34a_102516460346_100009817193 [0,2,0,0,0,0|2,0,0]=4 17174 B14R0.1821 CCOCCOCC(C)(C)C(=O)OCC 7a_100011765865_100011215890 [0,2,0,0,0,0|2,0,0]=4 17175 B14R0.1821 CCOCCOCC(F)(F)C(=O)OCC 34a_100000210136_100009817193 [0,2,0,0,0,0|2,0,0]=4 17176 B14R0.1821 CCOCCSCC(C)(C)C(=O)OCC 62a_100000210147_100011219049 [0,2,0,0,0,0|2,0,0]=4 17177 B14R0.1821 CCOCCSCC(C)(C)C(=O)OCC 62a_100011219049_100011215890 [0,2,0,0,0,0|2,0,0]=4 17178 B14R0.1821 CCOCCSCC(F)(F)C(=O)OCC 62a_100000210147_100009817193 [0,2,0,0,0,0|2,0,0]=4 17179 B14R0.1821 CCOCCSCC(F)(F)C(=O)OCC 62a_100009817193_100011215890 [0,2,0,0,0,0|2,0,0]=4 17180 B14R0.2225 CCCCCCC(=O)C(C)C(=O)NCC 1458a_100102632555_100000230173 [0,2,0,0,0,0|1,0,1]=4 17181 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100102632555_100011216346 [0,2,0,0,0,0|0,0,1]=3 17182 B14R0.2225 CCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210757 [0,2,0,0,0,0|0,0,1]=3 17183 B14R0.2225 CCCCCCC(=O)C(F)C(=O)OCC 1458a_100102632555_100000760018 [0,2,0,0,0,0|0,0,1]=3 17184 B14R0.2225 CCCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_100011215978 [0,2,0,0,0,0|1,0,1]=4 17185 B14R0.2225 CCCCCCN(C)C(=O)C(=O)OCC 11a_106256046315_100014798877 [0,2,0,0,0,0|1,0,1]=4 17186 B14R0.2225 CCCCCCN(C)C(=O)C(=O)OCC 1626a_106256046315_100014798877 [0,2,0,0,0,0|1,0,1]=4 17187 B14R0.2225 CCCCCCN(C)C(=O)C(=O)OCC 240690a_106256046315_100014798877 [0,2,0,0,0,0|1,0,1]=4 17188 B14R0.2225 CCCCCCN(C)C(C)C(=O)NCC 2230a_106256046315_100000230173 [0,2,0,0,0,0|2,0,0]=4 17189 B14R0.2225 CCCCCCN(C)C(C)C(=O)NCC 269982a_106256046315_100000230173 [0,2,0,0,0,0|2,0,0]=4 17190 B14R0.2225 CCCCCCN(C)C(C)C(=O)OCC 2230a_106256046315_100011215307 [0,2,0,0,0,0|1,0,0]=3 17191 B14R0.2225 CCCCCCN(C)C(C)C(=O)OCC 269982a_106256046315_100011216346 [0,2,0,0,0,0|1,0,0]=3 17192 B14R0.2225 CCCCCCN(C)C(F)C(=O)OCC 2230a_106256046315_100000760018 [0,2,0,0,0,0|1,0,0]=3 17193 B14R0.2225 CCCCCCN(C)C(F)C(=O)OCC 269982a_106256046315_100000760018 [0,2,0,0,0,0|1,0,0]=3 17194 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 11a_100000209983_100132301724 [0,2,0,0,0,0|1,0,1]=4 17195 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 1626a_100000209983_100132301724 [0,2,0,0,0,0|1,0,1]=4 17196 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 240690a_100000209983_100132301724 [0,2,0,0,0,0|1,0,1]=4 17197 B14R0.2225 CCCCCNC(=O)C(C)C(=O)OCC 527a_100000209983_100132301724 [0,2,0,0,0,0|1,0,1]=4 17198 B14R0.2225 CCCCCNC(C)C(=O)C(=O)OCC 2230a_100000209983_100010256902 [0,2,0,0,0,0|1,0,1]=4 17199 B14R0.2225 CCCCCSC(C)C(=O)C(=O)OCC 62a_100000210326_100010256902 [0,2,0,0,0,0|1,0,1]=4 17200 B14R0.2225 CCCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210326 [0,2,0,0,0,0|1,0,1]=4 17201 B14R0.2225 CCCCOCC(=O)C(C)C(=O)OCC 1458a_100000757543_100011216346 [0,2,0,0,0,0|1,0,1]=4 17202 B14R0.2225 CCCCOCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011995733 [0,2,0,0,0,0|1,0,1]=4 17203 B14R0.2225 CCCCOCC(=O)C(F)C(=O)OCC 1458a_100000757543_100000760018 [0,2,0,0,0,0|1,0,1]=4 17204 B14R0.2225 CCCCSCC(=O)C(C)C(=O)OCC 1458a_100000191162_100011216346 [0,2,0,0,0,0|1,0,1]=4 17205 B14R0.2225 CCCCSCC(=O)C(F)C(=O)OCC 1458a_100000191162_100000760018 [0,2,0,0,0,0|1,0,1]=4 17206 B14R0.2225 CCCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215938 [0,2,0,0,0,0|1,0,1]=4 17207 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCF 1458a_100132301724_100000729378 [0,2,0,0,0,0|1,0,1]=4 17208 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCO 1458a_100102619762_100011216346 [0,2,0,0,0,0|1,0,1]=4 17209 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCCO 1458a_100132301724_100000746330 [0,2,0,0,0,0|1,0,1]=4 17210 B14R0.2225 CCOC(=O)C(C)C(=O)CCCCOC 1458a_100132301724_100000755781 [0,2,0,0,0,0|1,0,1]=4 17211 B14R0.2225 CCOC(=O)C(C)N(C)CCCCCO 2230a_100000722520_100011215307 [0,2,0,0,0,0|2,0,0]=4 17212 B14R0.2225 CCOC(=O)C(C)N(C)CCCCCO 269982a_100000722520_100011216346 [0,2,0,0,0,0|2,0,0]=4 17213 B14R0.2225 CCOC(=O)C(F)C(=O)CCCCCO 1458a_100102619762_100000760018 [0,2,0,0,0,0|1,0,1]=4 17214 B14R0.2225 CCOC(=O)C(F)N(C)CCCCCO 2230a_100000722520_100000760018 [0,2,0,0,0,0|2,0,0]=4 17215 B14R0.2225 CCOC(=O)C(F)N(C)CCCCCO 269982a_100000722520_100000760018 [0,2,0,0,0,0|2,0,0]=4 17216 B14R0.2225 CCOCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100012232248 [0,2,0,0,0,0|1,0,1]=4 17217 B14R0.415 C#CC(CCC)OCCCC(=O)OCC 34a_200011217317_100009991533 [0,2,0,0,0,0|1,0,0]=3 17218 B14R0.415 C#CC(CCC)OCCCC(=O)OCC 7a_200011217317_100011215271 [0,2,0,0,0,0|1,0,0]=3 17219 B14R0.415 C#CC(CCC)OCCNC(=O)OCC 7a_200011217317_200011445536 [0,2,0,0,0,0|2,0,0]=4 17220 B14R0.415 C=CC(CCC)OCCCC(=O)OCC 34a_100011216692_100009991533 [0,2,0,0,0,0|1,0,0]=3 17221 B14R0.415 C=CC(CCC)OCCCC(=O)OCC 7a_100011216692_100011215271 [0,2,0,0,0,0|1,0,0]=3 17222 B14R0.415 C=CC(CCC)OCCNC(=O)OCC 7a_100011216692_200011445536 [0,2,0,0,0,0|2,0,0]=4 17223 B14R0.415 CCCC(=O)COCCC(CCC)SC 7a_100000032865_100000747444 [0,2,0,0,0,0|2,0,0]=4 17224 B14R0.415 CCCC(C#N)OCCCC(=O)OCC 34a_100000686963_100009991533 [0,2,0,0,0,0|1,0,0]=3 17225 B14R0.415 CCCC(C#N)OCCCC(=O)OCC 7a_100000686963_100011215271 [0,2,0,0,0,0|1,0,0]=3 17226 B14R0.415 CCCC(C#N)OCCNC(=O)OCC 7a_100000686963_200011445536 [0,2,0,0,0,0|2,0,0]=4 17227 B14R0.415 CCCC(CC)NCCCC(=O)OCC 2230a_100000747048_100009991533 [0,2,0,0,0,0|1,0,0]=3 17228 B14R0.415 CCCC(CC)OCCCC(=O)OCC 34a_100000687864_100009991533 [0,2,0,0,0,0|1,0,0]=3 17229 B14R0.415 CCCC(CC)OCCCC(=O)OCC 7a_100000687864_100011215271 [0,2,0,0,0,0|1,0,0]=3 17230 B14R0.415 CCCC(CC)OCCCC(=O)OCC 7a_100012001163_100011219200 [0,2,0,0,0,0|1,0,0]=3 17231 B14R0.415 CCCC(CC)OCCNC(=O)OCC 7a_100000687864_200011445536 [0,2,0,0,0,0|2,0,0]=4 17232 B14R0.415 CCCC(CC)SCCCC(=O)OCC 62a_100009991533_100011219200 [0,2,0,0,0,0|1,0,0]=3 17233 B14R0.415 CCCC(CC)SCCCC(=O)OCC 62a_100011219200_100009991533 [0,2,0,0,0,0|1,0,0]=3 17234 B14R0.415 CCCC(CC)SCCNC(=O)OCC 62a_100011219200_200011445536 [0,2,0,0,0,0|2,0,0]=4 17235 B14R0.415 CCCC(CCOCC(=O)NCC)SC 34a_100000032865_100000183381 [0,2,0,0,0,0|2,0,0]=4 17236 B14R0.415 CCCC(CCOCC(=O)NCC)SC 7a_100000032865_100000183381 [0,2,0,0,0,0|2,0,0]=4 17237 B14R0.415 CCCC(CCOCC(=O)OCC)SC 34a_100000032865_100000188475 [0,2,0,0,0,0|1,0,0]=3 17238 B14R0.415 CCCC(CCOCC(=O)OCC)SC 7a_100000032865_100000188475 [0,2,0,0,0,0|1,0,0]=3 17239 B14R0.415 CCCN(CC)CCCCC(=O)OCC 2230a_100000226822_100000750268 [0,2,0,0,0,0|1,0,0]=3 17240 B14R0.415 CCCN(CC)CCCCC(=O)OCC 269982a_100000226822_100000750268 [0,2,0,0,0,0|1,0,0]=3 17241 B14R0.415 CCCN(CC)CCOCC(=O)OCC 2230a_100000226822_100000088970 [0,2,0,0,0,0|2,0,0]=4 17242 B14R0.415 CCCN(CC)CCOCC(=O)OCC 269982a_100000226822_100000088970 [0,2,0,0,0,0|2,0,0]=4 17243 B14R0.415 CCC[C@@H](CO)NCCCC(=O)OCC 2230a_100000732646_100009991533 [0,2,0,0,0,0|1,0,0]=3 17244 B14R0.415 CCC[C@@H](CO)NCCCC(=O)OCC 34a_100000732646_100009991533 [0,2,0,0,0,0|1,0,0]=3 17245 B14R0.415 CCOC(=O)CCCCN(CC)CCO 2230a_100000210973_100000750268 [0,2,0,0,0,0|2,0,0]=4 17246 B14R0.415 CCOC(=O)CCCCN(CC)CCO 269982a_100000210973_100000750268 [0,2,0,0,0,0|2,0,0]=4 17247 B14R0.415 CCOC(=O)CCCNC(CC)COC 2230a_100000757820_100009991533 [0,2,0,0,0,0|2,0,0]=4 17248 B14R0.415 CCOC(=O)CCCNC(CO)COC 2230a_100000724102_100009991533 [0,2,0,0,0,0|2,0,0]=4 17249 B14R0.415 CCOC(=O)CCCNC(CO)COC 34a_100000724102_100009991533 [0,2,0,0,0,0|2,0,0]=4 17250 B14R0.415 CCOC(=O)CCCOC(CC)COC 7a_200011214946_100011215271 [0,2,0,0,0,0|2,0,0]=4 17251 B14R0.415 CCOC(=O)CCCOC(CCl)COC 34a_100011215053_100009991533 [0,2,0,0,0,0|2,0,0]=4 17252 B14R0.415 CCOC(=O)CCCOC(CN)COC 34a_100000756049_100009991533 [0,2,0,0,0,0|2,0,0]=4 17253 B14R0.415 CCOC(=O)CCNCC(CC)OCC 2230a_100015183923_100011206558 [0,2,0,0,0,0|2,0,0]=4 17254 B14R0.415 CCOC(=O)CCNCC(CC)OCC 34a_100015183923_100000765890 [0,2,0,0,0,0|2,0,0]=4 17255 B14R0.489 CCCCCCCCC(CC)OC(C)C 34a_200011216270_100000210206 [0,2,0,0,0,0|1,0,1]=4 17256 B14R0.489 CCCCCCCCC(CC)OC(C)C 7a_200011216270_100000210206 [0,2,0,0,0,0|1,0,1]=4 17257 B14R0.492 CCCCCCCCC(CCC)OCC 34a_200011218034_100000210202 [0,2,0,0,0,0|1,0,1]=4 17258 B14R0.492 CCCCCCCCC(CCC)OCC 7a_200011218034_100000210202 [0,2,0,0,0,0|1,0,1]=4 17259 B14R0.389 CC(C)OC(=O)CC(=O)CCCCCO 1458a_100102619762_100011215430 [0,2,0,0,0,0|1,0,1]=4 17260 B14R0.389 CC(C)OC(=O)CN(C)CCCCCO 2230a_100000722520_100011215430 [0,2,0,0,0,0|2,0,0]=4 17261 B14R0.389 CC(C)OC(=O)CN(C)CCCCCO 269982a_100000722520_100011215430 [0,2,0,0,0,0|2,0,0]=4 17262 B14R0.389 CCCCCCC(=O)CC(=O)NC(C)C 1458a_100102632555_100000183996 [0,2,0,0,0,0|1,0,1]=4 17263 B14R0.389 CCCCCCC(=O)CC(=O)OC(C)C 1458a_100102632555_100011215430 [0,2,0,0,0,0|0,0,1]=3 17264 B14R0.389 CCCCCCC(C)NC(=O)CC(C)C 11a_100000210919_100000210554 [0,2,0,0,0,0|2,0,0]=4 17265 B14R0.389 CCCCCCC(C)NC(=O)CC(C)C 1626a_100000210919_100000210554 [0,2,0,0,0,0|2,0,0]=4 17266 B14R0.389 CCCCCCC(C)NC(=O)CC(C)C 240690a_100000210919_100000210554 [0,2,0,0,0,0|2,0,0]=4 17267 B14R0.389 CCCCCCC(C)NC(=O)CC(C)C 527a_100000210919_100000210554 [0,2,0,0,0,0|2,0,0]=4 17268 B14R0.389 CCCCCCC(C)NC(=O)C[C@@H](C)O 240690a_100000210919_100011933948 [0,2,0,0,0,0|2,0,0]=4 17269 B14R0.389 CCCCCCC(C)NC(=O)NC(C)C 2708a_100000210919_100138425928 [0,2,0,0,0,0|2,0,0]=4 17270 B14R0.389 CCCCCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000210919 [0,2,0,0,0,0|2,0,0]=4 17271 B14R0.389 CCCCCCC(C)NC(=O)NC(C)C 273464a_100138425928_100000210919 [0,2,0,0,0,0|2,0,0]=4 17272 B14R0.389 CCCCCCC(C)NC(=O)NC(C)C 512a_100000210919_100138425928 [0,2,0,0,0,0|2,0,0]=4 17273 B14R0.389 CCCCCCC(C)NC(=O)NC(C)C 512a_100138425928_100000210919 [0,2,0,0,0,0|2,0,0]=4 17274 B14R0.389 CCCCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210314 [0,2,0,0,0,0|2,0,0]=4 17275 B14R0.389 CCCCCCN(C)CC(=O)NC(C)C 2230a_106256046315_100000183996 [0,2,0,0,0,0|2,0,0]=4 17276 B14R0.389 CCCCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210757 [0,2,0,0,0,0|2,0,0]=4 17277 B14R0.389 CCCCCCN(C)CC(=O)NC(C)C 269982a_106256046315_100000183996 [0,2,0,0,0,0|2,0,0]=4 17278 B14R0.389 CCCCCCN(C)CC(=O)OC(C)C 2230a_106256046315_100011215430 [0,2,0,0,0,0|1,0,0]=3 17279 B14R0.389 CCCCCCN(C)CC(=O)OC(C)C 269982a_106256046315_100011215430 [0,2,0,0,0,0|1,0,0]=3 17280 B14R0.389 CCCCCOC(C)OC(=O)OC(C)C 7a_100000210253_100000067433 [0,2,0,0,0,0|2,0,0]=4 17281 B14R0.389 CCCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210326 [0,2,0,0,0,0|2,0,0]=4 17282 B14R0.389 CCCCCSC(C)OC(=O)OC(C)C 62a_100000210326_100000067433 [0,2,0,0,0,0|2,0,0]=4 17283 B14R0.389 CCCCOCC(=O)CC(=O)OC(C)C 1458a_100000757543_100011215430 [0,2,0,0,0,0|1,0,1]=4 17284 B14R0.389 CCCCSCC(=O)CC(=O)OC(C)C 1458a_100000191162_100011215430 [0,2,0,0,0,0|1,0,1]=4 17285 B14R0.955 CCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210314 [0,2,0,0,0,0|1,0,0]=3 17286 B14R0.955 CCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210757 [0,2,0,0,0,0|1,0,0]=3 17287 B14R0.955 CCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210326 [0,2,0,0,0,0|1,0,0]=3 17288 B14R0.955 CCCCOCN(CC)CC(=O)OCC 2230a_100000220607_100011995733 [0,2,0,0,0,0|2,0,0]=4 17289 B14R0.955 CCCCOCN(CC)CC(=O)OCC 269982a_100000220607_100011995733 [0,2,0,0,0,0|2,0,0]=4 17290 B14R0.955 CCCOCCN(CC)CC(=O)OCC 2230a_100000220607_100011215938 [0,2,0,0,0,0|2,0,0]=4 17291 B14R0.955 CCCOCCN(CC)CC(=O)OCC 269982a_100000220607_100011215938 [0,2,0,0,0,0|2,0,0]=4 17292 B14R0.955 CCOC(=O)CN(CC)CCCCCF 2230a_100000220607_100000729378 [0,2,0,0,0,0|2,0,0]=4 17293 B14R0.955 CCOC(=O)CN(CC)CCCCCF 269982a_100000220607_100000729378 [0,2,0,0,0,0|2,0,0]=4 17294 B14R0.955 CCOC(=O)CN(CC)CCCCCO 2230a_100000220607_100000746330 [0,2,0,0,0,0|2,0,0]=4 17295 B14R0.955 CCOC(=O)CN(CC)CCCCCO 269982a_100000220607_100000746330 [0,2,0,0,0,0|2,0,0]=4 17296 B14R0.955 CCOC(=O)CN(CC)CCCCOC 2230a_100000220607_100000730899 [0,2,0,0,0,0|2,0,0]=4 17297 B14R0.955 CCOC(=O)CN(CC)CCCCOC 269982a_100000220607_100000730899 [0,2,0,0,0,0|2,0,0]=4 17298 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCCF 7a_100000688340_100000729493 [0,2,0,0,0,0|2,0,0]=4 17299 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCCO 7a_100000688340_100000210776 [0,2,0,0,0,0|2,0,0]=4 17300 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCCOC 7a_100000688340_100000740836 [0,2,0,0,0,0|2,0,0]=4 17301 B14R0.955 CCOC(=O)C[C@@H](CCl)OCCSCC 7a_100000688340_100000757381 [0,2,0,0,0,0|2,0,0]=4 17302 B14R0.955 CCOCCCN(CC)CC(=O)OCC 2230a_100000220607_100012232248 [0,2,0,0,0,0|2,0,0]=4 17303 B14R0.955 CCOCCCN(CC)CC(=O)OCC 269982a_100000220607_100012232248 [0,2,0,0,0,0|2,0,0]=4 17304 B14R0.955 CCOCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100011215890 [0,2,0,0,0,0|2,0,0]=4 17305 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC 270084a_100000209983_100000738689 [0,2,0,0,0,0|2,0,0]=4 17306 B14R0.1824 CCCCCNS(=O)(=O)CC(=O)OCC 274078a_100000209983_100000738689 [0,2,0,0,0,0|2,0,0]=4 17307 B14R0.1824 CCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210326 [0,2,0,0,0,0|1,0,0]=3 17308 B14R0.1824 CCOC(=O)CC(C)(C)OCCCCF 7a_100000765344_100000729493 [0,2,0,0,0,0|2,0,0]=4 17309 B14R0.1824 CCOC(=O)CC(C)(C)OCCCCO 7a_100000765344_100000210776 [0,2,0,0,0,0|2,0,0]=4 17310 B14R0.1824 CCOC(=O)CC(C)(C)OCCCOC 7a_100000765344_100000740836 [0,2,0,0,0,0|2,0,0]=4 17311 B14R0.1824 CCOC(=O)CC(C)(C)OCCSCC 7a_100000765344_100000757381 [0,2,0,0,0,0|2,0,0]=4 17312 B14R0.1824 CCOCCOC(C)(C)CC(=O)OCC 7a_100000765344_100011215890 [0,2,0,0,0,0|2,0,0]=4 17313 B14R0.2235 CCCCCCC(=O)CC(=O)N(C)CC 1458a_100102632555_100011894763 [0,2,0,0,0,0|1,0,1]=4 17314 B14R0.2235 CCCCCCC(C)NC(=O)C(C)CC 11a_100000210919_100011192722 [0,2,0,0,0,0|2,0,0]=4 17315 B14R0.2235 CCCCCCC(C)NC(=O)C(C)CC 1626a_100000210919_100011192722 [0,2,0,0,0,0|2,0,0]=4 17316 B14R0.2235 CCCCCCC(C)NC(=O)C(C)CC 240690a_100000210919_100011192722 [0,2,0,0,0,0|2,0,0]=4 17317 B14R0.2235 CCCCCCC(C)NC(=O)C(C)CC 527a_100000210919_100011192722 [0,2,0,0,0,0|2,0,0]=4 17318 B14R0.2235 CCCCCCC(C)NC(=O)C(O)CC 240690a_100000210919_100011196387 [0,2,0,0,0,0|2,0,0]=4 17319 B14R0.2235 CCCCCCC(C)NC(=O)N(C)CC 2708a_100000210919_100000225621 [0,2,0,0,0,0|2,0,0]=4 17320 B14R0.2235 CCCCCCC(C)NC(=O)N(C)CC 273464a_100000210919_100000225621 [0,2,0,0,0,0|2,0,0]=4 17321 B14R0.2235 CCCCCCN(C)CC(=O)N(C)CC 2230a_106256046315_100000738999 [0,2,0,0,0,0|2,0,0]=4 17322 B14R0.2235 CCCCCCN(C)CC(=O)N(C)CC 269982a_106256046315_100000738999 [0,2,0,0,0,0|2,0,0]=4 17323 B14R0.94 CC(C)(C)CC(=O)CCCCCCCO 1458a_100000211214_100000760002 [0,2,0,0,0,0|2,0,0]=4 17324 B14R0.94 CC(C)(C)NC(=O)CCCCCCCO 240690a_100000715429_100011219782 [0,2,0,0,0,0|2,0,0]=4 17325 B14R0.94 CC(C)(C)OC(=O)CCCCCCO[13CH3] 34a_100048648013_200025704644 [0,2,0,0,0,0|1,0,0]=3 17326 B14R0.94 CC(C)(C)OC(=O)CCCCCCO[13CH3] 7a_100048648013_200025704644 [0,2,0,0,0,0|1,0,0]=3 17327 B14R0.94 CC(C)(C)OC(=O)CCCCCCS[13CH3] 62a_100010989376_200025704644 [0,2,0,0,0,0|1,0,0]=3 17328 B14R0.94 CC(C)(C)OC(=O)CCCCCCS[13CH3] 62a_200025704644_100010989376 [0,2,0,0,0,0|1,0,0]=3 17329 B14R0.94 CC(C)(C)OC(=O)CCCCCOCF 34a_100000097220_100015361967 [0,2,0,0,0,0|2,0,0]=4 17330 B14R0.94 CC(C)(C)OC(=O)CCCCCOCF 7a_100000097220_100015361967 [0,2,0,0,0,0|2,0,0]=4 17331 B14R0.94 CC(C)(C)OC(=O)CCCCCSCF 62a_100010886488_100015361967 [0,2,0,0,0,0|2,0,0]=4 17332 B14R0.94 CC(C)(C)OC(=O)CCCCCSCF 62a_100015361967_100010886488 [0,2,0,0,0,0|2,0,0]=4 17333 B14R0.94 CC(C)(C)OC(=O)CCCCNCCF 34a_100000724931_100010889705 [0,2,0,0,0,0|2,0,0]=4 17334 B14R0.94 CC(C)(C)OC(=O)CCCCNCCO 2230a_100016997473_100010889705 [0,2,0,0,0,0|2,0,0]=4 17335 B14R0.94 CC(C)(C)OC(=O)CCCCNCCO 34a_100016990907_100010889705 [0,2,0,0,0,0|2,0,0]=4 17336 B14R0.94 CC(C)(C)OC(=O)CCCCOCCBr 34a_100000211926_100010889705 [0,2,0,0,0,0|2,0,0]=4 17337 B14R0.94 CC(C)(C)OC(=O)CCCCOCCN 34a_100000210304_100010889705 [0,2,0,0,0,0|2,0,0]=4 17338 B14R0.94 CC(C)(C)OC(=O)CCCCSCCF 62a_100010889705_100011217306 [0,2,0,0,0,0|2,0,0]=4 17339 B14R0.94 CC(C)(C)OC(=O)CCCCSCCF 62a_100011217306_100010889705 [0,2,0,0,0,0|2,0,0]=4 17340 B14R0.94 CC(C)(C)OC(=O)CCCCSCCO 62a_100000211926_100010889705 [0,2,0,0,0,0|2,0,0]=4 17341 B14R0.94 CC(C)(C)OC(=O)CCCCSCCO 62a_100010889705_100000211926 [0,2,0,0,0,0|2,0,0]=4 17342 B14R0.94 CC(C)(C)OC(=O)CCCNCCCF 2230a_100015189416_100000708543 [0,2,0,0,0,0|2,0,0]=4 17343 B14R0.94 CC(C)(C)OC(=O)CCCNCCCF 34a_100015189416_100000708543 [0,2,0,0,0,0|2,0,0]=4 17344 B14R0.94 CC(C)(C)OC(=O)CCCOCCCBr 34a_100011217188_100000708543 [0,2,0,0,0,0|2,0,0]=4 17345 B14R0.94 CC(C)(C)OC(=O)CCCOCCCCl 34a_100000230001_100000708543 [0,2,0,0,0,0|2,0,0]=4 17346 B14R0.94 CC(C)(C)OC(=O)CCCOCCCF 34a_100000067108_100011934791 [0,2,0,0,0,0|2,0,0]=4 17347 B14R0.94 CC(C)(C)OC(=O)CCCOCCCF 34a_100000759539_100000708543 [0,2,0,0,0,0|2,0,0]=4 17348 B14R0.94 CC(C)(C)OC(=O)CCCOCCCF 7a_100000067108_100011934791 [0,2,0,0,0,0|2,0,0]=4 17349 B14R0.94 CC(C)(C)OC(=O)CCCOCCCN 34a_100000182051_100000708543 [0,2,0,0,0,0|2,0,0]=4 17350 B14R0.94 CC(C)(C)OC(=O)CCCOCCCO 34a_100000067108_100000230001 [0,2,0,0,0,0|2,0,0]=4 17351 B14R0.94 CC(C)(C)OC(=O)CCCOCCCO 7a_100000067108_100011215043 [0,2,0,0,0,0|2,0,0]=4 17352 B14R0.94 CC(C)(C)OC(=O)CCCSCCCF 62a_100000708543_100011934791 [0,2,0,0,0,0|2,0,0]=4 17353 B14R0.94 CC(C)(C)OC(=O)CCCSCCCF 62a_100011934791_100000708543 [0,2,0,0,0,0|2,0,0]=4 17354 B14R0.94 CC(C)(C)OC(=O)CCCSCCCO 62a_100000708543_100011215043 [0,2,0,0,0,0|2,0,0]=4 17355 B14R0.94 CC(C)(C)OC(=O)CCCSCCCO 62a_100011215043_100000708543 [0,2,0,0,0,0|2,0,0]=4 17356 B14R0.94 CC(C)(C)OC(=O)CCNCCCCO 2230a_100000750430_100009816755 [0,2,0,0,0,0|2,0,0]=4 17357 B14R0.94 CC(C)(C)OC(=O)CCNCCCCO 34a_100000750430_100009816755 [0,2,0,0,0,0|2,0,0]=4 17358 B14R0.94 CC(C)(C)OC(=O)CCOCCCCBr 34a_100011216708_100009816755 [0,2,0,0,0,0|2,0,0]=4 17359 B14R0.94 CC(C)(C)OC(=O)CCOCCCCCl 34a_100000210776_100009816755 [0,2,0,0,0,0|2,0,0]=4 17360 B14R0.94 CC(C)(C)OC(=O)CCOCCCCCl 7a_100000210776_100009816755 [0,2,0,0,0,0|2,0,0]=4 17361 B14R0.94 CC(C)(C)OC(=O)CCOCCCCF 34a_100011934494_100000729493 [0,2,0,0,0,0|2,0,0]=4 17362 B14R0.94 CC(C)(C)OC(=O)CCOCCCCF 34a_100011995726_100009816755 [0,2,0,0,0,0|2,0,0]=4 17363 B14R0.94 CC(C)(C)OC(=O)CCOCCCCF 7a_100011934494_100000729493 [0,2,0,0,0,0|2,0,0]=4 17364 B14R0.94 CC(C)(C)OC(=O)CCOCCCCF 7a_100011995726_100009816755 [0,2,0,0,0,0|2,0,0]=4 17365 B14R0.94 CC(C)(C)OC(=O)CCOCCCCI 34a_200012148704_100009816755 [0,2,0,0,0,0|2,0,0]=4 17366 B14R0.94 CC(C)(C)OC(=O)CCOCCCCN 34a_100000750430_100009816755 [0,2,0,0,0,0|2,0,0]=4 17367 B14R0.94 CC(C)(C)OC(=O)CCOCCCCO 34a_100011934494_100011216708 [0,2,0,0,0,0|2,0,0]=4 17368 B14R0.94 CC(C)(C)OC(=O)CCOCCCCO 7a_100011934494_100000210776 [0,2,0,0,0,0|2,0,0]=4 17369 B14R0.94 CC(C)(C)OC(=O)CCOCCCO[13CH3] 34a_100134710649_200025704644 [0,2,0,0,0,0|2,0,0]=4 17370 B14R0.94 CC(C)(C)OC(=O)CCOCCCO[13CH3] 7a_100134710649_200025704644 [0,2,0,0,0,0|2,0,0]=4 17371 B14R0.94 CC(C)(C)OC(=O)CCSCCCCF 62a_100000729493_100009816755 [0,2,0,0,0,0|2,0,0]=4 17372 B14R0.94 CC(C)(C)OC(=O)CCSCCCCF 62a_100009816755_100000729493 [0,2,0,0,0,0|2,0,0]=4 17373 B14R0.94 CC(C)(C)OC(=O)CCSCCCCO 62a_100000210776_100009816755 [0,2,0,0,0,0|2,0,0]=4 17374 B14R0.94 CC(C)(C)OC(=O)CCSCCCCO 62a_100009816755_100000210776 [0,2,0,0,0,0|2,0,0]=4 17375 B14R0.94 CC(C)(C)OC(=O)CNCCCCCO 2230a_100000762737_100000183872 [0,2,0,0,0,0|2,0,0]=4 17376 B14R0.94 CC(C)(C)OC(=O)CNCCCCCO 34a_100000762737_100000183872 [0,2,0,0,0,0|2,0,0]=4 17377 B14R0.94 CC(C)(C)OC(=O)COCCCCCBr 34a_100000746331_100000183872 [0,2,0,0,0,0|2,0,0]=4 17378 B14R0.94 CC(C)(C)OC(=O)COCCCCCBr 7a_100000746331_100000183872 [0,2,0,0,0,0|2,0,0]=4 17379 B14R0.94 CC(C)(C)OC(=O)COCCCCCCl 34a_100000746330_100000183872 [0,2,0,0,0,0|2,0,0]=4 17380 B14R0.94 CC(C)(C)OC(=O)COCCCCCCl 7a_100000746330_100000183872 [0,2,0,0,0,0|2,0,0]=4 17381 B14R0.94 CC(C)(C)OC(=O)COCCCCCF 34a_100000752683_100000729378 [0,2,0,0,0,0|2,0,0]=4 17382 B14R0.94 CC(C)(C)OC(=O)COCCCCCI 34a_200012148887_100000183872 [0,2,0,0,0,0|2,0,0]=4 17383 B14R0.94 CC(C)(C)OC(=O)COCCCCCI 7a_200012148887_100000183872 [0,2,0,0,0,0|2,0,0]=4 17384 B14R0.94 CC(C)(C)OC(=O)COCCCCCN 34a_100000762737_100000183872 [0,2,0,0,0,0|2,0,0]=4 17385 B14R0.94 CC(C)(C)OC(=O)COCCCCCO 34a_100000752683_100000746330 [0,2,0,0,0,0|2,0,0]=4 17386 B14R0.94 CC(C)(C)OC(=O)CSCCCCCF 62a_100000183872_100000729378 [0,2,0,0,0,0|2,0,0]=4 17387 B14R0.94 CC(C)(C)OC(=O)CSCCCCCF 62a_100000729378_100000183872 [0,2,0,0,0,0|2,0,0]=4 17388 B14R0.94 CC(C)(C)OC(=O)CSCCCCCO 62a_100000183872_100000746330 [0,2,0,0,0,0|2,0,0]=4 17389 B14R0.94 CC(C)(C)OC(=O)CSCCCCCO 62a_100000746330_100000183872 [0,2,0,0,0,0|2,0,0]=4 17390 B14R0.94 CC(C)(C)OC(=O)NCCCCCO[13CH3] 34a_100011218812_200025704644 [0,2,0,0,0,0|2,0,0]=4 17391 B14R0.94 CC(C)(C)OC(=O)NCCCCCO[13CH3] 7a_100011218812_200025704644 [0,2,0,0,0,0|2,0,0]=4 17392 B14R0.94 CC(C)(C)OC(=O)NCCCCCS[13CH3] 62a_100012340521_200025704644 [0,2,0,0,0,0|2,0,0]=4 17393 B14R0.94 CC(C)(C)OC(=O)NCCCCCS[13CH3] 62a_200025704644_100012340521 [0,2,0,0,0,0|2,0,0]=4 17394 B14R0.94 CC(C)(O)CC(=O)CCCCCCCO 1458a_100000693243_100000760002 [0,2,0,0,0,0|2,0,0]=4 17395 B14R0.94 CCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210759 [0,2,0,0,0,0|1,0,0]=3 17396 B14R0.94 CCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210759 [0,2,0,0,0,0|1,0,0]=3 17397 B14R0.94 CCCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210759 [0,2,0,0,0,0|2,0,0]=4 17398 B14R0.94 CCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210759 [0,2,0,0,0,0|2,0,0]=4 17399 B14R0.94 CCCCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210759 [0,2,0,0,0,0|2,0,0]=4 17400 B14R0.94 CCCCCCCCC(=O)C[Si](C)(C)C 1458a_100000210188_100000233785 [0,2,0,0,0,0|1,1,0]=4 17401 B14R0.94 CCCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210759 [0,2,0,0,0,0|1,1,0]=4 17402 B14R0.94 CCCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000210188 [0,2,0,0,0,0|1,0,0]=3 17403 B14R0.94 CCCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210188 [0,2,0,0,0,0|1,0,0]=3 17404 B14R0.94 CCCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210188 [0,2,0,0,0,0|1,0,0]=3 17405 B14R0.94 CCCCCCCCC(=O)NC(C)(C)C 527a_100000715429_100000210188 [0,2,0,0,0,0|1,0,0]=3 17406 B14R0.94 CCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210188 [0,2,0,0,0,0|2,0,0]=4 17407 B14R0.94 CCCCCCCCC(C)OC(C)(C)C 34a_100000210740_100000210625 [0,2,0,0,0,0|1,0,1]=4 17408 B14R0.94 CCCCCCCNC(=O)CC(C)(C)C 11a_100000229938_100000211214 [0,2,0,0,0,0|2,0,0]=4 17409 B14R0.94 CCCCCCCNC(=O)CC(C)(C)C 1626a_100000229938_100000211214 [0,2,0,0,0,0|2,0,0]=4 17410 B14R0.94 CCCCCCCNC(=O)CC(C)(C)C 240690a_100000229938_100000211214 [0,2,0,0,0,0|2,0,0]=4 17411 B14R0.94 CCCCCCCNC(=O)CC(C)(C)C 527a_100000229938_100000211214 [0,2,0,0,0,0|2,0,0]=4 17412 B14R0.94 CCCCCCCNC(=O)CC(C)(C)O 527a_100000229938_100000693243 [0,2,0,0,0,0|2,0,0]=4 17413 B14R0.94 CCCCCCCNC(=O)NC(C)(C)C 2708a_100000229938_100000715429 [0,2,0,0,0,0|2,0,0]=4 17414 B14R0.94 CCCCCCCNC(=O)NC(C)(C)C 273464a_100000229938_100000715429 [0,2,0,0,0,0|2,0,0]=4 17415 B14R0.94 CCCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000229938 [0,2,0,0,0,0|2,0,0]=4 17416 B14R0.94 CCCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000229938 [0,2,0,0,0,0|2,0,0]=4 17417 B14R0.94 CCCCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210314 [0,2,0,0,0,0|2,0,0]=4 17418 B14R0.94 CCCCCCNCC(=O)NC(C)(C)C 2230a_100000210581_100000182746 [0,2,0,0,0,0|2,0,0]=4 17419 B14R0.94 CCCCCCNCC(=O)NC(C)(C)C 34a_100000174917_100000210314 [0,2,0,0,0,0|2,0,0]=4 17420 B14R0.94 CCCCCCNCC(=O)OC(C)(C)C 2230a_100000210581_100000183872 [0,2,0,0,0,0|1,0,0]=3 17421 B14R0.94 CCCCCCNCC(=O)O[Si](C)(C)C 2230a_100000210581_200009813336 [0,2,0,0,0,0|1,1,0]=4 17422 B14R0.94 CCCCCCOCC(=O)NC(C)(C)C 34a_100000210259_100000182746 [0,2,0,0,0,0|2,0,0]=4 17423 B14R0.94 CCCCCCOCC(=O)NC(C)(C)C 7a_100000210259_100000182746 [0,2,0,0,0,0|2,0,0]=4 17424 B14R0.94 CCCCCCOCC(=O)OC(C)(C)C 34a_100000210259_100000183872 [0,2,0,0,0,0|1,0,0]=3 17425 B14R0.94 CCCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210314 [0,2,0,0,0,0|1,0,0]=3 17426 B14R0.94 CCCCCCOCC(=O)OC(C)(C)C 7a_100000210259_100000183872 [0,2,0,0,0,0|1,0,0]=3 17427 B14R0.94 CCCCCCOCC(=O)O[Si](C)(C)C 34a_100000210259_200009813336 [0,2,0,0,0,0|1,1,0]=4 17428 B14R0.94 CCCCCCOCC(=O)O[Si](C)(C)C 7a_100000210259_200009813336 [0,2,0,0,0,0|1,1,0]=4 17429 B14R0.94 CCCCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210757 [0,2,0,0,0,0|2,0,0]=4 17430 B14R0.94 CCCCCCSCC(=O)NC(C)(C)C 62a_100000210314_100000182746 [0,2,0,0,0,0|2,0,0]=4 17431 B14R0.94 CCCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210757 [0,2,0,0,0,0|1,0,0]=3 17432 B14R0.94 CCCCCCSCC(=O)OC(C)(C)C 62a_100000210314_100000183872 [0,2,0,0,0,0|1,0,0]=3 17433 B14R0.94 CCCCCCSCC(=O)O[Si](C)(C)C 62a_100000210314_200009813336 [0,2,0,0,0,0|1,1,0]=4 17434 B14R0.94 CCCCCCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210757 [0,2,0,0,0,0|1,1,0]=4 17435 B14R0.94 CCCCCNCCC(=O)NC(C)(C)C 2230a_100000209983_100011194433 [0,2,0,0,0,0|2,0,0]=4 17436 B14R0.94 CCCCCNCCC(=O)OC(C)(C)C 2230a_100000209983_100009816755 [0,2,0,0,0,0|1,0,0]=3 17437 B14R0.94 CCCCCOCCC(=O)NC(C)(C)C 7a_100000210253_100011194433 [0,2,0,0,0,0|2,0,0]=4 17438 B14R0.94 CCCCCOCCC(=O)OC(C)(C)C 34a_100000210253_100009816755 [0,2,0,0,0,0|1,0,0]=3 17439 B14R0.94 CCCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000718602 [0,2,0,0,0,0|1,0,0]=3 17440 B14R0.94 CCCCCOCCC(=O)OC(C)(C)C 7a_100000210253_100009816755 [0,2,0,0,0,0|1,0,0]=3 17441 B14R0.94 CCCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210326 [0,2,0,0,0,0|1,0,0]=3 17442 B14R0.94 CCCCCSCCC(=O)NC(C)(C)C 62a_100000210326_100011194433 [0,2,0,0,0,0|2,0,0]=4 17443 B14R0.94 CCCCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210326 [0,2,0,0,0,0|2,0,0]=4 17444 B14R0.94 CCCCCSCCC(=O)OC(C)(C)C 62a_100000210326_100009816755 [0,2,0,0,0,0|1,0,0]=3 17445 B14R0.94 CCCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210326 [0,2,0,0,0,0|1,0,0]=3 17446 B14R0.94 CCCCNCCCC(=O)NC(C)(C)C 2230a_100000102301_100011194434 [0,2,0,0,0,0|2,0,0]=4 17447 B14R0.94 CCCCNCCCC(=O)NC(C)(C)C 7a_106832991798_100011194434 [0,2,0,0,0,0|2,0,0]=4 17448 B14R0.94 CCCCNCCCC(=O)OC(C)(C)C 2230a_100000102301_100000708543 [0,2,0,0,0,0|1,0,0]=3 17449 B14R0.94 CCCCNCCCC(=O)OC(C)(C)C 7a_106832991798_100000708543 [0,2,0,0,0,0|1,0,0]=3 17450 B14R0.94 CCCCNCCNC(=O)OC(C)(C)C 2230a_100000102301_100000691259 [0,2,0,0,0,0|2,0,0]=4 17451 B14R0.94 CCCCNCCNC(=O)OC(C)(C)C 7a_106832991798_100000691259 [0,2,0,0,0,0|2,0,0]=4 17452 B14R0.94 CCCCOCCCC(=O)NC(C)(C)C 7a_100000210227_100011194434 [0,2,0,0,0,0|2,0,0]=4 17453 B14R0.94 CCCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210210 [0,2,0,0,0,0|1,0,0]=3 17454 B14R0.94 CCCCOCCCC(=O)OC(C)(C)C 34a_100000210227_100000708543 [0,2,0,0,0,0|1,0,0]=3 17455 B14R0.94 CCCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210211 [0,2,0,0,0,0|1,0,0]=3 17456 B14R0.94 CCCCOCCCC(=O)OC(C)(C)C 7a_100000210227_100000708543 [0,2,0,0,0,0|1,0,0]=3 17457 B14R0.94 CCCCOCCNC(=O)OC(C)(C)C 34a_100000743822_100000210210 [0,2,0,0,0,0|2,0,0]=4 17458 B14R0.94 CCCCOCCNC(=O)OC(C)(C)C 7a_100000210227_100000691259 [0,2,0,0,0,0|2,0,0]=4 17459 B14R0.94 CCCCOCCNC(=O)OC(C)(C)C 7a_100000743822_100000210211 [0,2,0,0,0,0|2,0,0]=4 17460 B14R0.94 CCCCOCOCC(=O)OC(C)(C)C 34a_100000752683_100011995733 [0,2,0,0,0,0|2,0,0]=4 17461 B14R0.94 CCCCOCSCC(=O)OC(C)(C)C 62a_100000183872_100011995733 [0,2,0,0,0,0|2,0,0]=4 17462 B14R0.94 CCCCOCSCC(=O)OC(C)(C)C 62a_100011995733_100000183872 [0,2,0,0,0,0|2,0,0]=4 17463 B14R0.94 CCCCSCCCC(=O)NC(C)(C)C 62a_100000210211_100011194434 [0,2,0,0,0,0|2,0,0]=4 17464 B14R0.94 CCCCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210210 [0,2,0,0,0,0|2,0,0]=4 17465 B14R0.94 CCCCSCCCC(=O)OC(C)(C)C 62a_100000210211_100000708543 [0,2,0,0,0,0|1,0,0]=3 17466 B14R0.94 CCCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210210 [0,2,0,0,0,0|1,0,0]=3 17467 B14R0.94 CCCCSCCNC(=O)OC(C)(C)C 62a_100000210211_100000691259 [0,2,0,0,0,0|2,0,0]=4 17468 B14R0.94 CCCCSCCNC(=O)OC(C)(C)C 62a_100000691259_100000210210 [0,2,0,0,0,0|2,0,0]=4 17469 B14R0.94 CCCOCCCCC(=O)OC(C)(C)C 34a_100000210258_100010889705 [0,2,0,0,0,0|1,0,0]=3 17470 B14R0.94 CCCOCCCNC(=O)OC(C)(C)C 34a_100000210258_100000725178 [0,2,0,0,0,0|2,0,0]=4 17471 B14R0.94 CCCOCCCNC(=O)OC(C)(C)C 34a_100000743756_100000210303 [0,2,0,0,0,0|2,0,0]=4 17472 B14R0.94 CCCOCCCNC(=O)OC(C)(C)C 7a_100000743756_100000210303 [0,2,0,0,0,0|2,0,0]=4 17473 B14R0.94 CCCOCCNCC(=O)OC(C)(C)C 2230a_100161115042_100000183872 [0,2,0,0,0,0|2,0,0]=4 17474 B14R0.94 CCCOCCNCC(=O)OC(C)(C)C 34a_100161115042_100000183872 [0,2,0,0,0,0|2,0,0]=4 17475 B14R0.94 CCCOCCOCC(=O)OC(C)(C)C 34a_100000210258_100011092059 [0,2,0,0,0,0|2,0,0]=4 17476 B14R0.94 CCCOCCOCC(=O)OC(C)(C)C 34a_100000752267_100000183872 [0,2,0,0,0,0|2,0,0]=4 17477 B14R0.94 CCCOCCOCC(=O)OC(C)(C)C 34a_100000752683_100011215938 [0,2,0,0,0,0|2,0,0]=4 17478 B14R0.94 CCCOCCOCC(=O)OC(C)(C)C 34a_100010982675_100000210303 [0,2,0,0,0,0|2,0,0]=4 17479 B14R0.94 CCCOCCOCC(=O)OC(C)(C)C 7a_100000752267_100000183872 [0,2,0,0,0,0|2,0,0]=4 17480 B14R0.94 CCCOCCOCC(=O)OC(C)(C)C 7a_100010982675_100000210303 [0,2,0,0,0,0|2,0,0]=4 17481 B14R0.94 CCCOCCSCC(=O)OC(C)(C)C 62a_100000183872_100011215938 [0,2,0,0,0,0|2,0,0]=4 17482 B14R0.94 CCCOCCSCC(=O)OC(C)(C)C 62a_100011215938_100000183872 [0,2,0,0,0,0|2,0,0]=4 17483 B14R0.94 CCCSCCCCC(=O)OC(C)(C)C 62a_100000210303_100010889705 [0,2,0,0,0,0|1,0,0]=3 17484 B14R0.94 CCCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000210303 [0,2,0,0,0,0|1,0,0]=3 17485 B14R0.94 CCCSCCCNC(=O)OC(C)(C)C 62a_100000210303_100000725178 [0,2,0,0,0,0|2,0,0]=4 17486 B14R0.94 CCCSCCCNC(=O)OC(C)(C)C 62a_100000725178_100000210303 [0,2,0,0,0,0|2,0,0]=4 17487 B14R0.94 CCCSCCNCC(=O)OC(C)(C)C 2230a_100020603323_100000183872 [0,2,0,0,0,0|2,0,0]=4 17488 B14R0.94 CCCSCCOCC(=O)OC(C)(C)C 34a_200000230433_100000183872 [0,2,0,0,0,0|2,0,0]=4 17489 B14R0.94 CCCSCCOCC(=O)OC(C)(C)C 62a_100000210303_100011092059 [0,2,0,0,0,0|2,0,0]=4 17490 B14R0.94 CCCSCCOCC(=O)OC(C)(C)C 62a_100011092059_100000210303 [0,2,0,0,0,0|2,0,0]=4 17491 B14R0.94 CCCSCCOCC(=O)OC(C)(C)C 7a_200000230433_100000183872 [0,2,0,0,0,0|2,0,0]=4 17492 B14R0.94 CCNCCCCCC(=O)OC(C)(C)C 2230a_100015525214_100010886488 [0,2,0,0,0,0|1,0,0]=3 17493 B14R0.94 CCNCCCCNC(=O)OC(C)(C)C 2230a_100015525214_100011218622 [0,2,0,0,0,0|2,0,0]=4 17494 B14R0.94 CCNCCOCCC(=O)OC(C)(C)C 2230a_100015525214_100161106493 [0,2,0,0,0,0|2,0,0]=4 17495 B14R0.94 CCOCCCCCC(=O)OC(C)(C)C 34a_100000097220_100000210202 [0,2,0,0,0,0|1,0,0]=3 17496 B14R0.94 CCOCCCCCC(=O)OC(C)(C)C 34a_100121572206_100010886488 [0,2,0,0,0,0|1,0,0]=3 17497 B14R0.94 CCOCCCCCC(=O)OC(C)(C)C 7a_100000097220_100000210202 [0,2,0,0,0,0|1,0,0]=3 17498 B14R0.94 CCOCCCCNC(=O)OC(C)(C)C 34a_100011218717_100000210202 [0,2,0,0,0,0|2,0,0]=4 17499 B14R0.94 CCOCCCCNC(=O)OC(C)(C)C 34a_100121572206_100011218622 [0,2,0,0,0,0|2,0,0]=4 17500 B14R0.94 CCOCCCCNC(=O)OC(C)(C)C 7a_100011218717_100000210202 [0,2,0,0,0,0|2,0,0]=4 17501 B14R0.94 CCOCCCNCC(=O)OC(C)(C)C 2230a_100000210961_100000183872 [0,2,0,0,0,0|2,0,0]=4 17502 B14R0.94 CCOCCCNCC(=O)OC(C)(C)C 34a_100000210961_100000183872 [0,2,0,0,0,0|2,0,0]=4 17503 B14R0.94 CCOCCCOCC(=O)OC(C)(C)C 34a_100000752683_100012232248 [0,2,0,0,0,0|2,0,0]=4 17504 B14R0.94 CCOCCCOCC(=O)OC(C)(C)C 34a_100000757476_100000183872 [0,2,0,0,0,0|2,0,0]=4 17505 B14R0.94 CCOCCCOCC(=O)OC(C)(C)C 7a_100000757476_100000183872 [0,2,0,0,0,0|2,0,0]=4 17506 B14R0.94 CCOCCCSCC(=O)OC(C)(C)C 62a_100000183872_100012232248 [0,2,0,0,0,0|2,0,0]=4 17507 B14R0.94 CCOCCCSCC(=O)OC(C)(C)C 62a_100012232248_100000183872 [0,2,0,0,0,0|2,0,0]=4 17508 B14R0.94 CCOCCNCCC(=O)OC(C)(C)C 2230a_102516460346_100009816755 [0,2,0,0,0,0|2,0,0]=4 17509 B14R0.94 CCOCCNCCC(=O)OC(C)(C)C 34a_102516460346_100009816755 [0,2,0,0,0,0|2,0,0]=4 17510 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 34a_100000210136_100009816755 [0,2,0,0,0,0|2,0,0]=4 17511 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 34a_100010341235_100000210202 [0,2,0,0,0,0|2,0,0]=4 17512 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210147 [0,2,0,0,0,0|2,0,0]=4 17513 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 34a_100121572206_100010730554 [0,2,0,0,0,0|2,0,0]=4 17514 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 7a_100000210136_100009816755 [0,2,0,0,0,0|2,0,0]=4 17515 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 7a_100010341235_100000210202 [0,2,0,0,0,0|2,0,0]=4 17516 B14R0.94 CCOCCOCCC(=O)OC(C)(C)C 7a_100011934494_100011215890 [0,2,0,0,0,0|2,0,0]=4 17517 B14R0.94 CCOCCSCCC(=O)OC(C)(C)C 62a_100000210147_100009816755 [0,2,0,0,0,0|2,0,0]=4 17518 B14R0.94 CCOCCSCCC(=O)OC(C)(C)C 62a_100009816755_100011215890 [0,2,0,0,0,0|2,0,0]=4 17519 B14R0.94 CCOCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000739092 [0,2,0,0,0,0|2,0,0]=4 17520 B14R0.94 CCOCSCCCC(=O)OC(C)(C)C 62a_100000739092_100000708543 [0,2,0,0,0,0|2,0,0]=4 17521 B14R0.94 CCSCCCCCC(=O)OC(C)(C)C 62a_100000210202_100010886488 [0,2,0,0,0,0|1,0,0]=3 17522 B14R0.94 CCSCCCCCC(=O)OC(C)(C)C 62a_100010886488_100000210202 [0,2,0,0,0,0|1,0,0]=3 17523 B14R0.94 CCSCCCCNC(=O)OC(C)(C)C 62a_100000210202_100011218622 [0,2,0,0,0,0|2,0,0]=4 17524 B14R0.94 CCSCCCCNC(=O)OC(C)(C)C 62a_100011218622_100000210202 [0,2,0,0,0,0|2,0,0]=4 17525 B14R0.94 CCSCCCOCC(=O)OC(C)(C)C 34a_100011216438_100000183872 [0,2,0,0,0,0|2,0,0]=4 17526 B14R0.94 CCSCCCOCC(=O)OC(C)(C)C 7a_100011216438_100000183872 [0,2,0,0,0,0|2,0,0]=4 17527 B14R0.94 CCSCCNCCC(=O)OC(C)(C)C 2230a_100000106463_100009816755 [0,2,0,0,0,0|2,0,0]=4 17528 B14R0.94 CCSCCOCCC(=O)OC(C)(C)C 34a_100000212035_100009816755 [0,2,0,0,0,0|2,0,0]=4 17529 B14R0.94 CCSCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000757381 [0,2,0,0,0,0|2,0,0]=4 17530 B14R0.94 CCSCCOCCC(=O)OC(C)(C)C 62a_100000210202_100161106493 [0,2,0,0,0,0|2,0,0]=4 17531 B14R0.94 CCSCCOCCC(=O)OC(C)(C)C 62a_100161106493_100000210202 [0,2,0,0,0,0|2,0,0]=4 17532 B14R0.94 CCSCCOCCC(=O)OC(C)(C)C 7a_100000212035_100009816755 [0,2,0,0,0,0|2,0,0]=4 17533 B14R0.94 CCSCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000757381 [0,2,0,0,0,0|2,0,0]=4 17534 B14R0.94 CCSCCSCCC(=O)OC(C)(C)C 62a_100000757381_100009816755 [0,2,0,0,0,0|2,0,0]=4 17535 B14R0.94 CCSCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000757381 [0,2,0,0,0,0|2,0,0]=4 17536 B14R0.94 CNCCCCCCC(=O)OC(C)(C)C 2230a_106832991635_100010989376 [0,2,0,0,0,0|1,0,0]=3 17537 B14R0.94 CNCCCCCCC(=O)OC(C)(C)C 34a_100102657272_100010989376 [0,2,0,0,0,0|1,0,0]=3 17538 B14R0.94 CNCCCCCCC(=O)OC(C)(C)C 7a_106832991635_100010989376 [0,2,0,0,0,0|1,0,0]=3 17539 B14R0.94 CNCCCCCNC(=O)OC(C)(C)C 2230a_106832991635_100012340521 [0,2,0,0,0,0|2,0,0]=4 17540 B14R0.94 CNCCCCCNC(=O)OC(C)(C)C 34a_100102657272_100012340521 [0,2,0,0,0,0|2,0,0]=4 17541 B14R0.94 CNCCCCCNC(=O)OC(C)(C)C 7a_106832991635_100012340521 [0,2,0,0,0,0|2,0,0]=4 17542 B14R0.94 CNCCCOCCC(=O)OC(C)(C)C 34a_100000213112_100009816755 [0,2,0,0,0,0|2,0,0]=4 17543 B14R0.94 COCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100011998445 [0,2,0,0,0,0|2,0,0]=4 17544 B14R0.94 COCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100011998445 [0,2,0,0,0,0|2,0,0]=4 17545 B14R0.94 COCCCCCCC(=O)OC(C)(C)C 34a_100048648013_200000210301 [0,2,0,0,0,0|1,0,0]=3 17546 B14R0.94 COCCCCCCC(=O)OC(C)(C)C 34a_100138415774_100010989376 [0,2,0,0,0,0|1,0,0]=3 17547 B14R0.94 COCCCCCCC(=O)OC(C)(C)C 7a_100048648013_200000210301 [0,2,0,0,0,0|1,0,0]=3 17548 B14R0.94 COCCCCCNC(=O)OC(C)(C)C 34a_100011218812_200000210301 [0,2,0,0,0,0|2,0,0]=4 17549 B14R0.94 COCCCCCNC(=O)OC(C)(C)C 34a_100138415774_100012340521 [0,2,0,0,0,0|2,0,0]=4 17550 B14R0.94 COCCCCCNC(=O)OC(C)(C)C 7a_100011218812_200000210301 [0,2,0,0,0,0|2,0,0]=4 17551 B14R0.94 COCCCCOCC(=O)OC(C)(C)C 34a_100000740925_100000183872 [0,2,0,0,0,0|2,0,0]=4 17552 B14R0.94 COCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000755781 [0,2,0,0,0,0|2,0,0]=4 17553 B14R0.94 COCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000730899 [0,2,0,0,0,0|2,0,0]=4 17554 B14R0.94 COCCCCSCC(=O)OC(C)(C)C 62a_100000730899_100000183872 [0,2,0,0,0,0|2,0,0]=4 17555 B14R0.94 COCCCNCCC(=O)OC(C)(C)C 34a_100150723488_100009816755 [0,2,0,0,0,0|2,0,0]=4 17556 B14R0.94 COCCCOCCC(=O)OC(C)(C)C 34a_100000740835_100009816755 [0,2,0,0,0,0|2,0,0]=4 17557 B14R0.94 COCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000740836 [0,2,0,0,0,0|2,0,0]=4 17558 B14R0.94 COCCCOCCC(=O)OC(C)(C)C 34a_100134710649_200000210301 [0,2,0,0,0,0|2,0,0]=4 17559 B14R0.94 COCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000740836 [0,2,0,0,0,0|2,0,0]=4 17560 B14R0.94 COCCCOCCC(=O)OC(C)(C)C 7a_100134710649_200000210301 [0,2,0,0,0,0|2,0,0]=4 17561 B14R0.94 COCCCSCCC(=O)OC(C)(C)C 62a_100000709357_100009816755 [0,2,0,0,0,0|2,0,0]=4 17562 B14R0.94 COCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000709357 [0,2,0,0,0,0|2,0,0]=4 17563 B14R0.94 COCCNCCCC(=O)OC(C)(C)C 2230a_100000209980_100000708543 [0,2,0,0,0,0|2,0,0]=4 17564 B14R0.94 COCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100011201679 [0,2,0,0,0,0|2,0,0]=4 17565 B14R0.94 COCCOCCCC(=O)OC(C)(C)C 34a_100000210237_100000708543 [0,2,0,0,0,0|2,0,0]=4 17566 B14R0.94 COCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000233755 [0,2,0,0,0,0|2,0,0]=4 17567 B14R0.94 COCCSCCCC(=O)OC(C)(C)C 62a_100000233755_100000708543 [0,2,0,0,0,0|2,0,0]=4 17568 B14R0.94 COCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000233755 [0,2,0,0,0,0|2,0,0]=4 17569 B14R0.94 COCSCCCCC(=O)OC(C)(C)C 62a_100000766300_100010889705 [0,2,0,0,0,0|2,0,0]=4 17570 B14R0.94 COCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000766300 [0,2,0,0,0,0|2,0,0]=4 17571 B14R0.94 CSCCCCCCC(=O)OC(C)(C)C 62a_100010989376_200000210301 [0,2,0,0,0,0|1,0,0]=3 17572 B14R0.94 CSCCCCCCC(=O)OC(C)(C)C 62a_200000210301_100010989376 [0,2,0,0,0,0|1,0,0]=3 17573 B14R0.94 CSCCCCCNC(=O)OC(C)(C)C 62a_100012340521_200000210301 [0,2,0,0,0,0|2,0,0]=4 17574 B14R0.94 CSCCCCCNC(=O)OC(C)(C)C 62a_200000210301_100012340521 [0,2,0,0,0,0|2,0,0]=4 17575 B14R0.94 CSCCCCOCC(=O)OC(C)(C)C 34a_100011217163_100000183872 [0,2,0,0,0,0|2,0,0]=4 17576 B14R0.94 CSCCCCOCC(=O)OC(C)(C)C 7a_100011217163_100000183872 [0,2,0,0,0,0|2,0,0]=4 17577 B14R0.94 CSCCCNCCC(=O)OC(C)(C)C 2230a_100000749238_100009816755 [0,2,0,0,0,0|2,0,0]=4 17578 B14R0.94 CSCCCOCCC(=O)OC(C)(C)C 34a_100000690336_100009816755 [0,2,0,0,0,0|2,0,0]=4 17579 B14R0.94 CSCCCOCCC(=O)OC(C)(C)C 7a_100000690336_100009816755 [0,2,0,0,0,0|2,0,0]=4 17580 B14R0.94 CSCCNCCCC(=O)OC(C)(C)C 2230a_100020590264_100000708543 [0,2,0,0,0,0|2,0,0]=4 17581 B14R0.94 CSCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000212216 [0,2,0,0,0,0|2,0,0]=4 17582 B14R0.94 CSCCOCCCC(=O)OC(C)(C)C 34a_100000230434_100000708543 [0,2,0,0,0,0|2,0,0]=4 17583 B14R0.94 CSCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000212216 [0,2,0,0,0,0|2,0,0]=4 17584 B14R0.94 CSCCOCCCC(=O)OC(C)(C)C 7a_100000230434_100000708543 [0,2,0,0,0,0|2,0,0]=4 17585 B14R0.94 CSCCSCCCC(=O)OC(C)(C)C 62a_100000212216_100000708543 [0,2,0,0,0,0|2,0,0]=4 17586 B14R0.94 CSCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000751147 [0,2,0,0,0,0|2,0,0]=4 17587 B14R0.94 CSCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100011218213 [0,2,0,0,0,0|2,0,0]=4 17588 B14R0.94 CSCSCCCCC(=O)OC(C)(C)C 62a_100011218213_100010889705 [0,2,0,0,0,0|2,0,0]=4 17589 B14R0.178 CC(C)C(C)C(=O)CCCCCCCO 1458a_100000755409_100000760002 [0,2,0,0,0,0|2,0,0]=4 17590 B14R0.178 CC(C)N(C)C(=O)CCCCCCCO 240690a_200000211004_100011219782 [0,2,0,0,0,0|2,0,0]=4 17591 B14R0.178 CC(C)[C@@H](O)C(=O)CCCCCCCO 1458a_100000691806_100000760002 [0,2,0,0,0,0|2,0,0]=4 17592 B14R0.178 CCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210759 [0,2,0,0,0,0|2,0,0]=4 17593 B14R0.178 CCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210188_100000179758 [0,2,0,0,0,0|1,0,1]=4 17594 B14R0.178 CCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210759 [0,2,0,0,0,0|1,0,0]=3 17595 B14R0.178 CCCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000210188 [0,2,0,0,0,0|1,0,0]=3 17596 B14R0.178 CCCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210188 [0,2,0,0,0,0|1,0,0]=3 17597 B14R0.178 CCCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210188 [0,2,0,0,0,0|1,0,0]=3 17598 B14R0.178 CCCCCCCCC(=O)N(C)C(C)C 527a_200000211004_100000210188 [0,2,0,0,0,0|1,0,0]=3 17599 B14R0.178 CCCCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210759 [0,2,0,0,0,0|2,0,0]=4 17600 B14R0.178 CCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210759 [0,2,0,0,0,0|1,0,0]=3 17601 B14R0.178 CCCCCCCNC(=O)C(C)C(C)C 11a_100000229938_100000755409 [0,2,0,0,0,0|2,0,0]=4 17602 B14R0.178 CCCCCCCNC(=O)C(C)C(C)C 1626a_100000229938_100000755409 [0,2,0,0,0,0|2,0,0]=4 17603 B14R0.178 CCCCCCCNC(=O)C(C)C(C)C 240690a_100000229938_100000755409 [0,2,0,0,0,0|2,0,0]=4 17604 B14R0.178 CCCCCCCNC(=O)C(C)C(C)C 527a_100000229938_100000755409 [0,2,0,0,0,0|2,0,0]=4 17605 B14R0.178 CCCCCCCNC(=O)N(C)C(C)C 2708a_100000229938_200000211004 [0,2,0,0,0,0|2,0,0]=4 17606 B14R0.178 CCCCCCCNC(=O)N(C)C(C)C 273464a_100000229938_200000211004 [0,2,0,0,0,0|2,0,0]=4 17607 B14R0.178 CCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000229938_100000691806 [0,2,0,0,0,0|2,0,0]=4 17608 B14R0.178 CCCCCCNCC(=O)N(C)C(C)C 2230a_100000210581_100000230190 [0,2,0,0,0,0|2,0,0]=4 17609 B14R0.178 CCCCCCOCC(=O)N(C)C(C)C 34a_100000210259_100000230190 [0,2,0,0,0,0|2,0,0]=4 17610 B14R0.178 CCCCCCOCC(=O)N(C)C(C)C 7a_100000210259_100000230190 [0,2,0,0,0,0|2,0,0]=4 17611 B14R0.178 CCCCCCSCC(=O)N(C)C(C)C 62a_100000210314_100000230190 [0,2,0,0,0,0|2,0,0]=4 17612 B14R0.178 CCCCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210757 [0,2,0,0,0,0|2,0,0]=4 17613 B14R0.178 COCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100011998445 [0,2,0,0,0,0|2,0,0]=4 17614 B14R0.178 COCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011998445 [0,2,0,0,0,0|2,0,0]=4 17615 B14R0.2523 CCCCCCCCS(=O)(=O)NC(C)C 270084a_100138425928_100011218563 [0,2,0,0,0,0|2,0,0]=4 17616 B14R0.2523 CCCCCCCCS(=O)(=O)NC(C)C 274078a_100138425928_100011218563 [0,2,0,0,0,0|2,0,0]=4 17617 B14R0.85 CCC(CC)C(=O)CCCCCCCO 1458a_100000211163_100000760002 [0,2,0,0,0,0|2,0,0]=4 17618 B14R0.85 CCC(CC)C(=O)CCCCCCCO 1458a_100011219782_100000210505 [0,2,0,0,0,0|2,0,0]=4 17619 B14R0.85 CCC(CC)C(=O)CCCCCCOC 1458a_100000211163_100011998445 [0,2,0,0,0,0|2,0,0]=4 17620 B14R0.85 CCC(OC)C(=O)CCCCCCCO 1458a_100000747056_100000760002 [0,2,0,0,0,0|2,0,0]=4 17621 B14R0.85 CCC(OC)C(=O)CCCCCCOC 1458a_100000747056_100011998445 [0,2,0,0,0,0|2,0,0]=4 17622 B14R0.85 CCCCCCCCC(=O)C(CC)CC 1458a_100000210188_100000210505 [0,2,0,0,0,0|1,0,0]=3 17623 B14R0.85 CCCCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210759 [0,2,0,0,0,0|1,0,0]=3 17624 B14R0.85 CCCCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210759 [0,2,0,0,0,0|1,0,0]=3 17625 B14R0.85 CCCCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210759 [0,2,0,0,0,0|2,0,0]=4 17626 B14R0.85 CCCCCCCCC(=O)N(CC)CC 11a_100000724800_100000210188 [0,2,0,0,0,0|1,0,0]=3 17627 B14R0.85 CCCCCCCCC(=O)N(CC)CC 1626a_100000724800_100000210188 [0,2,0,0,0,0|1,0,0]=3 17628 B14R0.85 CCCCCCCCC(=O)N(CC)CC 240690a_100000724800_100000210188 [0,2,0,0,0,0|1,0,0]=3 17629 B14R0.85 CCCCCCCCC(=O)N(CC)CC 527a_100000724800_100000210188 [0,2,0,0,0,0|1,0,0]=3 17630 B14R0.85 CCCCCCCNC(=O)C(CC)CC 11a_100000229938_100000211163 [0,2,0,0,0,0|2,0,0]=4 17631 B14R0.85 CCCCCCCNC(=O)C(CC)CC 1626a_100000229938_100000211163 [0,2,0,0,0,0|2,0,0]=4 17632 B14R0.85 CCCCCCCNC(=O)C(CC)CC 240690a_100000229938_100000211163 [0,2,0,0,0,0|2,0,0]=4 17633 B14R0.85 CCCCCCCNC(=O)C(CC)CC 527a_100000229938_100000211163 [0,2,0,0,0,0|2,0,0]=4 17634 B14R0.85 CCCCCCCNC(=O)C(CC)OC 11a_100000229938_100000747056 [0,2,0,0,0,0|2,0,0]=4 17635 B14R0.85 CCCCCCCNC(=O)C(CC)OC 1626a_100000229938_100000747056 [0,2,0,0,0,0|2,0,0]=4 17636 B14R0.85 CCCCCCCNC(=O)C(CC)OC 240690a_100000229938_100000747056 [0,2,0,0,0,0|2,0,0]=4 17637 B14R0.85 CCCCCCCNC(=O)C(CC)OC 527a_100000229938_100000747056 [0,2,0,0,0,0|2,0,0]=4 17638 B14R0.85 CCCCCCCNC(=O)N(CC)CC 2708a_100000229938_100000724800 [0,2,0,0,0,0|2,0,0]=4 17639 B14R0.85 CCCCCCCNC(=O)N(CC)CC 273464a_100000229938_100000724800 [0,2,0,0,0,0|2,0,0]=4 17640 B14R0.85 CCCCCCNCC(=O)N(CC)CC 2230a_100000174916_100000210314 [0,2,0,0,0,0|2,0,0]=4 17641 B14R0.85 CCCCCCNCC(=O)N(CC)CC 2230a_100000210581_100000211521 [0,2,0,0,0,0|2,0,0]=4 17642 B14R0.85 CCCCCCOCC(=O)N(CC)CC 34a_100000210259_100000211521 [0,2,0,0,0,0|2,0,0]=4 17643 B14R0.85 CCCCCCOCC(=O)N(CC)CC 7a_100000210259_100000211521 [0,2,0,0,0,0|2,0,0]=4 17644 B14R0.85 CCCCCCOCC(=O)N(CC)CC 7a_200000238847_100000210314 [0,2,0,0,0,0|2,0,0]=4 17645 B14R0.85 CCCCCCSCC(=O)N(CC)CC 62a_100000210314_100000211521 [0,2,0,0,0,0|2,0,0]=4 17646 B14R0.85 CCCCCCSCC(=O)N(CC)CC 62a_100000211521_100000210757 [0,2,0,0,0,0|2,0,0]=4 17647 B14R0.85 CCCCCNCCC(=O)N(CC)CC 2230a_100000209983_100011194432 [0,2,0,0,0,0|2,0,0]=4 17648 B14R0.85 CCCCCOCCC(=O)N(CC)CC 7a_100000210253_100011194432 [0,2,0,0,0,0|2,0,0]=4 17649 B14R0.85 CCCCCSCCC(=O)N(CC)CC 62a_100000210326_100011194432 [0,2,0,0,0,0|2,0,0]=4 17650 B14R0.85 CCCCNCCCC(=O)N(CC)CC 7a_106832991798_100000183999 [0,2,0,0,0,0|2,0,0]=4 17651 B14R0.85 CCCCOCCCC(=O)N(CC)CC 7a_100000210227_100000183999 [0,2,0,0,0,0|2,0,0]=4 17652 B14R0.85 CCCCSCCCC(=O)N(CC)CC 62a_100000210211_100000183999 [0,2,0,0,0,0|2,0,0]=4 17653 B14R0.85 CCN(CC)C(=O)CCCCCCCO 240690a_100000724800_100011219782 [0,2,0,0,0,0|2,0,0]=4 17654 B14R0.502 CCC(C)(C)C(=O)CCCCCCCO 1458a_100000749717_100000760002 [0,2,0,0,0,0|2,0,0]=4 17655 B14R0.502 CCC(C)(C)C(=O)CCCCCCOC 1458a_100000749717_100011998445 [0,2,0,0,0,0|2,0,0]=4 17656 B14R0.502 CCC(C)(O)C(=O)CCCCCCCO 1458a_100011219770_100000760002 [0,2,0,0,0,0|2,0,0]=4 17657 B14R0.502 CCC(C)(O)C(=O)CCCCCCOC 1458a_100011219770_100011998445 [0,2,0,0,0,0|2,0,0]=4 17658 B14R0.502 CCC(F)(F)C(=O)CCCCCCCO 1458a_100000061896_100000760002 [0,2,0,0,0,0|2,0,0]=4 17659 B14R0.502 CCC(F)(F)C(=O)CCCCCCOC 1458a_100000061896_100011998445 [0,2,0,0,0,0|2,0,0]=4 17660 B14R0.502 CCCCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210759 [0,2,0,0,0,0|1,0,0]=3 17661 B14R0.502 CCCCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210759 [0,2,0,0,0,0|2,0,0]=4 17662 B14R0.502 CCCCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210759 [0,2,0,0,0,0|2,0,0]=4 17663 B14R0.502 CCCCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210759 [0,2,0,0,0,0|2,0,0]=4 17664 B14R0.502 CCCCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210759 [0,2,0,0,0,0|1,0,0]=3 17665 B14R0.502 CCCCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210759 [0,2,0,0,0,0|1,0,0]=3 17666 B14R0.502 CCCCCCCNC(=O)C(C)(C)CC 11a_100000229938_100000749717 [0,2,0,0,0,0|2,0,0]=4 17667 B14R0.502 CCCCCCCNC(=O)C(C)(C)CC 1626a_100000229938_100000749717 [0,2,0,0,0,0|2,0,0]=4 17668 B14R0.502 CCCCCCCNC(=O)C(C)(C)CC 240690a_100000229938_100000749717 [0,2,0,0,0,0|2,0,0]=4 17669 B14R0.502 CCCCCCCNC(=O)C(C)(C)CC 527a_100000229938_100000749717 [0,2,0,0,0,0|2,0,0]=4 17670 B14R0.502 CCCCCCCNC(=O)C(C)(O)CC 240690a_100000229938_100011219770 [0,2,0,0,0,0|2,0,0]=4 17671 B14R0.502 CCCCCCCNC(=O)C(F)(F)CC 11a_100000229938_100000061896 [0,2,0,0,0,0|2,0,0]=4 17672 B14R0.502 CCCCCCCNC(=O)C(F)(F)CC 1626a_100000229938_100000061896 [0,2,0,0,0,0|2,0,0]=4 17673 B14R0.502 CCCCCCCNC(=O)C(F)(F)CC 240690a_100000229938_100000061896 [0,2,0,0,0,0|2,0,0]=4 17674 B14R0.502 CCCCCCCNC(=O)C(F)(F)CC 527a_100000229938_100000061896 [0,2,0,0,0,0|2,0,0]=4 17675 B14R0.2525 CCCCCCCCS(=O)(=O)N(C)CC 270084a_100000225621_100011218563 [0,2,0,0,0,0|2,0,0]=4 17676 B14R0.2525 CCCCCCCCS(=O)(=O)N(C)CC 274078a_100000225621_100011218563 [0,2,0,0,0,0|2,0,0]=4 17677 B14R0.1242 CCCC(C)(C)COCCC(=O)NCC 7a_100011995695_100000737597 [0,2,0,0,0,0|2,0,0]=4 17678 B14R0.1242 CCCC(C)(C)COCCC(=O)OCC 7a_100011995695_100011206558 [0,2,0,0,0,0|1,0,0]=3 17679 B14R0.1242 CCCC(C)(C)OCCCC(=O)OCC 7a_100000748436_100011215271 [0,2,0,0,0,0|1,0,0]=3 17680 B14R0.1242 CCCC(C)(C)OCCNC(=O)OCC 7a_100000748436_200011445536 [0,2,0,0,0,0|2,0,0]=4 17681 B14R0.1242 CCNC(C)(C)COCCC(=O)OCC 7a_100000747347_100011206558 [0,2,0,0,0,0|2,0,0]=4 17682 B14R0.1242 CCOC(=O)CCCNC(C)(C)COC 2230a_100000752728_100009991533 [0,2,0,0,0,0|2,0,0]=4 17683 B14R0.1242 CCOC(=O)CCCNC(C)(C)CSC 2230a_100000759623_100009991533 [0,2,0,0,0,0|2,0,0]=4 17684 B14R0.1242 CCOC(=O)CCCNC(C)(C)CSC 7a_100000759623_100011215271 [0,2,0,0,0,0|2,0,0]=4 17685 B14R0.1242 CCOC(=O)CCCOC(C)(C)CCBr 7a_100000702414_100011215271 [0,2,0,0,0,0|2,0,0]=4 17686 B14R0.1242 CCOC(=O)CCNCC(C)(C)COC 2230a_100000734190_100011206558 [0,2,0,0,0,0|2,0,0]=4 17687 B12R1.8 CC/C=C\CNC1CCCCC1 2230a_100000182618_100103147603 [1,0,0,1,0,0|2,0,0]=4 17688 B12R1.8 CC/C=C\CNC1CCCCC1 34a_100000182618_100103147603 [1,0,0,1,0,0|2,0,0]=4 17689 B12R1.8 CC/C=C\COC1CCCCC1 34a_100000210231_100103147603 [1,0,0,1,0,0|2,0,0]=4 17690 B12R1.8 CC/C=C\COC1CCCCC1 34a_100016268518_100000210327 [1,0,0,1,0,0|2,0,0]=4 17691 B12R1.8 CC/C=C\COC1CCCCC1 7a_100000210231_100103147603 [1,0,0,1,0,0|2,0,0]=4 17692 B12R1.8 CC/C=C\CSC1CCCCC1 62a_100000210327_100103147603 [1,0,0,1,0,0|2,0,0]=4 17693 B12R1.8 CC/C=C\CSC1CCCCC1 62a_100103147603_100000210327 [1,0,0,1,0,0|2,0,0]=4 17694 B12R1.8 CCCCCCN1CC=CCC1 2230a_100000698166_100000210314 [1,0,0,1,0,0|2,0,0]=4 17695 B12R1.8 CCCCCCN1CC=CCC1 269982a_100000698166_100000210757 [1,0,0,1,0,0|2,0,0]=4 17696 B12R1.8 CCCCCCN1CC=CCC1 34a_100000698166_100000210314 [1,0,0,1,0,0|2,0,0]=4 17697 B12R1.8 CCCCCCN1CCOCC1 2230a_100015191051_100000210314 [1,0,0,1,0,0|1,0,1]=4 17698 B12R1.8 CCCCCCN1CCOCC1 269982a_100015191051_100000210757 [1,0,0,1,0,0|1,0,1]=4 17699 B12R1.8 CCCCCCN1CCOCC1 34a_100015191051_100000210314 [1,0,0,1,0,0|1,0,1]=4 17700 B12R1.8 CCCCCNC1CCOCC1 2230a_100000741149_100000210326 [1,0,0,1,0,0|1,0,1]=4 17701 B12R1.8 CCCCCNC1CCOCC1 270004a_100000209983_100011217826 [1,0,0,1,0,0|1,0,1]=4 17702 B12R1.8 CCCCCNC1CCOCC1 34a_100000741149_100000718602 [1,0,0,1,0,0|1,0,1]=4 17703 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [1,0,0,1,0,0|2,0,0]=4 17704 B12R1.8 CCCCCOC1CCOCC1 34a_100000744328_100000718602 [1,0,0,1,0,0|1,0,1]=4 17705 B12R1.8 CCCCCOC1CCOCC1 7a_100000210253_100000686592 [1,0,0,1,0,0|1,0,1]=4 17706 B12R1.8 CCCCCSC1CCOCC1 62a_100000210326_100011324220 [1,0,0,1,0,0|1,0,1]=4 17707 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [1,0,0,1,0,0|2,0,0]=4 17708 B12R1.8 CCCCNCC1CCOCC1 2230a_100000102301_100000754603 [1,0,0,1,0,0|1,0,1]=4 17709 B12R1.8 CCCCNCC1CCOCC1 2230a_100000746373_100000210211 [1,0,0,1,0,0|1,0,1]=4 17710 B12R1.8 CCCCNCC1CCOCC1 269862a_100000102301_100000749017 [1,0,0,1,0,0|1,0,1]=4 17711 B12R1.8 CCCCNCC1CCOCC1 34a_100000746373_100000210210 [1,0,0,1,0,0|1,0,1]=4 17712 B12R1.8 CCCCNCC1CCOCC1 7a_106832991798_100000754603 [1,0,0,1,0,0|1,0,1]=4 17713 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [1,0,0,1,0,0|2,0,0]=4 17714 B12R1.8 CCCCOCC1CCOCC1 34a_100000210227_100000754603 [1,0,0,1,0,0|1,0,1]=4 17715 B12R1.8 CCCCOCC1CCOCC1 34a_100000749013_100000210210 [1,0,0,1,0,0|1,0,1]=4 17716 B12R1.8 CCCCOCC1CCOCC1 7a_100000210227_100000754603 [1,0,0,1,0,0|1,0,1]=4 17717 B12R1.8 CCCCSCC1CCOCC1 62a_100000210211_100000749018 [1,0,0,1,0,0|1,0,1]=4 17718 B12R1.8 CCCCSCC1CCOCC1 62a_100000754603_100000210210 [1,0,0,1,0,0|1,0,1]=4 17719 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [1,0,0,1,0,0|2,0,0]=4 17720 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [1,0,0,1,0,0|2,0,0]=4 17721 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [1,0,0,1,0,0|2,0,0]=4 17722 B12R1.8 CCCNCCC1CCOCC1 2230a_100000755988_100000210303 [1,0,0,1,0,0|1,0,1]=4 17723 B12R1.8 CCCNCCC1CCOCC1 34a_100000755988_100000210303 [1,0,0,1,0,0|1,0,1]=4 17724 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [1,0,0,1,0,0|2,0,0]=4 17725 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [1,0,0,1,0,0|2,0,0]=4 17726 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [1,0,0,1,0,0|2,0,0]=4 17727 B12R1.8 CCCOCCC1CCOCC1 34a_100000210258_100011934994 [1,0,0,1,0,0|1,0,1]=4 17728 B12R1.8 CCCOCCC1CCOCC1 34a_100011933979_100000210303 [1,0,0,1,0,0|1,0,1]=4 17729 B12R1.8 CCCOCCC1CCOCC1 7a_100011933979_100000210303 [1,0,0,1,0,0|1,0,1]=4 17730 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [1,0,0,1,0,0|2,0,0]=4 17731 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [1,0,0,1,0,0|2,0,0]=4 17732 B12R1.8 CCCSCCC1CCOCC1 62a_100000210303_100011934994 [1,0,0,1,0,0|1,0,1]=4 17733 B12R1.8 CCCSCCC1CCOCC1 62a_100011934994_100000210303 [1,0,0,1,0,0|1,0,1]=4 17734 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [1,0,0,1,0,0|1,0,1]=4 17735 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [1,0,0,1,0,0|1,0,1]=4 17736 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [1,0,0,1,0,0|1,0,1]=4 17737 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [1,0,0,1,0,0|0,0,1]=3 17738 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [1,0,0,1,0,0|0,0,1]=3 17739 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [1,0,0,1,0,0|0,0,1]=3 17740 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [1,0,0,1,0,0|1,0,1]=4 17741 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [1,0,0,1,0,0|1,0,1]=4 17742 B12R1.8 CCOCCCC1CCNCC1 34a_100016988962_100000210202 [1,0,0,1,0,0|1,0,1]=4 17743 B12R1.8 CCOCCCN1CCCCC1 34a_100000212458_100000210202 [1,0,0,1,0,0|1,0,1]=4 17744 B12R1.8 CCOCCCN1CCCCC1 34a_100121572206_100000690320 [1,0,0,1,0,0|1,0,1]=4 17745 B12R1.8 CCOCCNC1CCCCC1 2230a_100000182618_100011215890 [1,0,0,1,0,0|1,0,1]=4 17746 B12R1.8 CCOCCNC1CCCCC1 270004a_102516460346_100000210434 [1,0,0,1,0,0|1,0,1]=4 17747 B12R1.8 CCOCCNC1CCCCC1 34a_100000182618_100000210147 [1,0,0,1,0,0|1,0,1]=4 17748 B12R1.8 CCOCCNC1CCCCC1 34a_100000200466_100000210202 [1,0,0,1,0,0|1,0,1]=4 17749 B12R1.8 CCOCCNC1CCCCC1 34a_102516460346_100000210327 [1,0,0,1,0,0|1,0,1]=4 17750 B12R1.8 CCOCCOC1CCCCC1 34a_100000210136_100000210327 [1,0,0,1,0,0|1,0,1]=4 17751 B12R1.8 CCOCCOC1CCCCC1 34a_100000210231_100000210147 [1,0,0,1,0,0|1,0,1]=4 17752 B12R1.8 CCOCCOC1CCCCC1 34a_100011249652_100000210202 [1,0,0,1,0,0|1,0,1]=4 17753 B12R1.8 CCOCCOC1CCCCC1 34a_100121572206_100011211530 [1,0,0,1,0,0|1,0,1]=4 17754 B12R1.8 CCOCCOC1CCCCC1 7a_100000210136_100000210327 [1,0,0,1,0,0|1,0,1]=4 17755 B12R1.8 CCOCCOC1CCCCC1 7a_100000210231_100011215890 [1,0,0,1,0,0|1,0,1]=4 17756 B12R1.8 CCOCCOC1CCCCC1 7a_100011249652_100000210202 [1,0,0,1,0,0|1,0,1]=4 17757 B12R1.8 CCOCCSC1CCCCC1 62a_100000210147_100000210327 [1,0,0,1,0,0|1,0,1]=4 17758 B12R1.8 CCOCCSC1CCCCC1 62a_100000210327_100011215890 [1,0,0,1,0,0|1,0,1]=4 17759 B12R1.8 CCOCSCC1CCCCC1 62a_100000211423_100000739092 [1,0,0,1,0,0|1,0,1]=4 17760 B12R1.8 CCOCSCC1CCCCC1 62a_100000739092_100000211423 [1,0,0,1,0,0|1,0,1]=4 17761 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [1,0,0,1,0,0|0,1,1]=4 17762 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [1,0,0,1,0,0|0,1,1]=4 17763 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [1,0,0,1,0,0|1,0,1]=4 17764 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [1,0,0,1,0,0|1,0,1]=4 17765 B12R1.37 CC/C=C\CCNC1CCCC1 2230a_100000211070_100015370543 [1,0,0,1,0,0|2,0,0]=4 17766 B12R1.37 CC/C=C\CCNC1CCCC1 34a_100000211070_100015370543 [1,0,0,1,0,0|2,0,0]=4 17767 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [1,0,0,1,0,0|2,0,0]=4 17768 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [1,0,0,1,0,0|2,0,0]=4 17769 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [1,0,0,1,0,0|2,0,0]=4 17770 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [1,0,0,1,0,0|2,0,0]=4 17771 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100011217020_100015370543 [1,0,0,1,0,0|2,0,0]=4 17772 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100015370543_100000179811 [1,0,0,1,0,0|2,0,0]=4 17773 B12R1.37 CC/C=C\CNCC1CCCC1 2230a_100000737975_100103147603 [1,0,0,1,0,0|2,0,0]=4 17774 B12R1.37 CC/C=C\CNCC1CCCC1 34a_100000737975_100103147603 [1,0,0,1,0,0|2,0,0]=4 17775 B12R1.37 CC/C=C\COCC1CCCC1 34a_100000742336_100103147603 [1,0,0,1,0,0|2,0,0]=4 17776 B12R1.37 CC/C=C\COCC1CCCC1 34a_100016268518_100000740388 [1,0,0,1,0,0|2,0,0]=4 17777 B12R1.37 CC/C=C\COCC1CCCC1 7a_100000742336_100103147603 [1,0,0,1,0,0|2,0,0]=4 17778 B12R1.37 CC/C=C\CSCC1CCCC1 62a_100000740388_100103147603 [1,0,0,1,0,0|2,0,0]=4 17779 B12R1.37 CC/C=C\CSCC1CCCC1 62a_100103147603_100000740388 [1,0,0,1,0,0|2,0,0]=4 17780 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [1,0,0,1,0,0|1,0,1]=4 17781 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [1,0,0,1,0,0|1,0,1]=4 17782 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [1,0,0,1,0,0|1,0,1]=4 17783 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [1,0,0,1,0,0|1,0,1]=4 17784 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [1,0,0,1,0,0|1,0,1]=4 17785 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [1,0,0,1,0,0|1,0,1]=4 17786 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [1,0,0,1,0,0|1,0,1]=4 17787 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [1,0,0,1,0,0|1,0,1]=4 17788 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [1,0,0,1,0,0|1,0,1]=4 17789 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [1,0,0,1,0,0|1,0,1]=4 17790 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [1,0,0,1,0,0|1,0,1]=4 17791 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [1,0,0,1,0,0|1,0,1]=4 17792 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [1,0,0,1,0,0|1,0,1]=4 17793 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [1,0,0,1,0,0|1,0,1]=4 17794 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [1,0,0,1,0,0|1,0,1]=4 17795 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [1,0,0,1,0,0|1,0,1]=4 17796 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [1,0,0,1,0,0|1,0,1]=4 17797 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [1,0,0,1,0,0|1,0,1]=4 17798 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [1,0,0,1,0,0|2,0,0]=4 17799 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [1,0,0,1,0,0|2,0,0]=4 17800 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [1,0,0,1,0,0|2,0,0]=4 17801 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [1,0,0,1,0,0|2,0,0]=4 17802 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [1,0,0,1,0,0|2,0,0]=4 17803 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [1,0,0,1,0,0|2,0,0]=4 17804 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [1,0,0,1,0,0|2,0,0]=4 17805 B12R1.37 CCOCCCNC1CCCC1 2230a_100000210961_100000179811 [1,0,0,1,0,0|1,0,1]=4 17806 B12R1.37 CCOCCCNC1CCCC1 2230a_100000211070_100012232248 [1,0,0,1,0,0|1,0,1]=4 17807 B12R1.37 CCOCCCNC1CCCC1 270004a_100000210961_100000210133 [1,0,0,1,0,0|1,0,1]=4 17808 B12R1.37 CCOCCCNC1CCCC1 34a_100000210961_100000179811 [1,0,0,1,0,0|1,0,1]=4 17809 B12R1.37 CCOCCCNC1CCCC1 34a_100000211070_100012232248 [1,0,0,1,0,0|1,0,1]=4 17810 B12R1.37 CCOCCCOC1CCCC1 34a_100000210269_100012232248 [1,0,0,1,0,0|1,0,1]=4 17811 B12R1.37 CCOCCCOC1CCCC1 34a_100000757476_100000179811 [1,0,0,1,0,0|1,0,1]=4 17812 B12R1.37 CCOCCCOC1CCCC1 7a_100000210269_100012232248 [1,0,0,1,0,0|1,0,1]=4 17813 B12R1.37 CCOCCCOC1CCCC1 7a_100000757476_100000179811 [1,0,0,1,0,0|1,0,1]=4 17814 B12R1.37 CCOCCCSC1CCCC1 62a_100011217020_100012232248 [1,0,0,1,0,0|1,0,1]=4 17815 B12R1.37 CCOCCCSC1CCCC1 62a_100012232248_100000179811 [1,0,0,1,0,0|1,0,1]=4 17816 B12R1.37 CCOCCNCC1CCCC1 2230a_100000737975_100011215890 [1,0,0,1,0,0|1,0,1]=4 17817 B12R1.37 CCOCCNCC1CCCC1 2230a_102516460346_100000740388 [1,0,0,1,0,0|1,0,1]=4 17818 B12R1.37 CCOCCNCC1CCCC1 269862a_100011200944_100000746403 [1,0,0,1,0,0|1,0,1]=4 17819 B12R1.37 CCOCCNCC1CCCC1 34a_100000737975_100000210147 [1,0,0,1,0,0|1,0,1]=4 17820 B12R1.37 CCOCCNCC1CCCC1 34a_102516460346_100000740388 [1,0,0,1,0,0|1,0,1]=4 17821 B12R1.37 CCOCCOCC1CCCC1 34a_100000210136_100000740388 [1,0,0,1,0,0|1,0,1]=4 17822 B12R1.37 CCOCCOCC1CCCC1 34a_100000742336_100000210147 [1,0,0,1,0,0|1,0,1]=4 17823 B12R1.37 CCOCCOCC1CCCC1 7a_100000210136_100000740388 [1,0,0,1,0,0|1,0,1]=4 17824 B12R1.37 CCOCCOCC1CCCC1 7a_100000742336_100011215890 [1,0,0,1,0,0|1,0,1]=4 17825 B12R1.37 CCOCCSCC1CCCC1 62a_100000210147_100000740388 [1,0,0,1,0,0|1,0,1]=4 17826 B12R1.37 CCOCCSCC1CCCC1 62a_100000740388_100011215890 [1,0,0,1,0,0|1,0,1]=4 17827 B12R1.37 CCOCSCCC1CCCC1 62a_100000739092_100000760354 [1,0,0,1,0,0|1,0,1]=4 17828 B12R1.37 CCOCSCCC1CCCC1 62a_100000760354_100000739092 [1,0,0,1,0,0|1,0,1]=4 17829 B12R1.45 CC/C=C\CN1CCCC1CC 2230a_100000754278_100103147603 [1,0,0,1,0,0|2,0,0]=4 17830 B12R1.45 CC/C=C\CN1CCCC1CC 269982a_100000754278_100103147603 [1,0,0,1,0,0|2,0,0]=4 17831 B12R1.45 CC/C=C\CN1CCCC1CC 34a_100000754278_100103147603 [1,0,0,1,0,0|2,0,0]=4 17832 B12R1.45 CCOCCN1CCCC1CC 2230a_100000754278_100011215890 [1,0,0,1,0,0|1,0,1]=4 17833 B12R1.45 CCOCCN1CCCC1CC 269982a_100000754278_100011215890 [1,0,0,1,0,0|1,0,1]=4 17834 B12R1.45 CCOCCN1CCCC1CC 34a_100000754278_100000210147 [1,0,0,1,0,0|1,0,1]=4 17835 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [1,0,0,1,0,0|2,0,0]=4 17836 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [1,0,0,1,0,0|2,0,0]=4 17837 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [1,0,0,1,0,0|2,0,0]=4 17838 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [1,0,0,1,0,0|2,0,0]=4 17839 B12R1.121 CCOCC1CCCCN1CC 34a_100000225091_100000210202 [1,0,0,1,0,0|1,0,1]=4 17840 B12R1.121 CCOCC1CCCCN1CC 7a_100000225091_100000210202 [1,0,0,1,0,0|1,0,1]=4 17841 B12R1.121 CCOCN1CCCCC1CC 269982a_100000210034_100000739092 [1,0,0,1,0,0|1,0,1]=4 17842 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [1,0,0,1,0,0|1,0,1]=4 17843 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [1,0,0,1,0,0|1,0,1]=4 17844 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [1,0,0,1,0,0|0,0,1]=3 17845 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [1,0,0,1,0,0|0,0,1]=3 17846 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [1,0,0,1,0,0|1,0,1]=4 17847 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [1,0,0,1,0,0|1,0,1]=4 17848 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [1,0,0,1,0,0|2,0,0]=4 17849 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [1,0,0,1,0,0|2,0,0]=4 17850 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [1,0,0,1,0,0|2,0,0]=4 17851 B12R1.169 CCNC1CCCCC1OCC 270004a_100015525214_200000031474 [1,0,0,1,0,0|1,0,1]=4 17852 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [1,0,0,1,0,0|2,0,0]=4 17853 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [1,0,0,1,0,0|2,0,0]=4 17854 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [1,0,0,1,0,0|2,0,0]=4 17855 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [1,0,0,1,0,0|1,0,1]=4 17856 B12R1.267 CC/C=C\CN1CCCCC1C 2230a_100000211376_100103147603 [1,0,0,1,0,0|2,0,0]=4 17857 B12R1.267 CC/C=C\CN1CCCCC1C 269982a_100000211376_100103147603 [1,0,0,1,0,0|2,0,0]=4 17858 B12R1.267 CC/C=C\CN1CCCCC1C 34a_100000211376_100103147603 [1,0,0,1,0,0|2,0,0]=4 17859 B12R1.267 CCOCCC1CCCCN1C 34a_100121572206_100000211948 [1,0,0,1,0,0|1,0,1]=4 17860 B12R1.267 CCOCCN1CCCCC1C 2230a_100000211376_100011215890 [1,0,0,1,0,0|1,0,1]=4 17861 B12R1.267 CCOCCN1CCCCC1C 269982a_100000211376_100011215890 [1,0,0,1,0,0|1,0,1]=4 17862 B12R1.267 CCOCCN1CCCCC1C 34a_100000211376_100000210147 [1,0,0,1,0,0|1,0,1]=4 17863 B12R1.267 CCOCCN1CCCCC1C 34a_100011305533_100000210202 [1,0,0,1,0,0|1,0,1]=4 17864 B12R1.271 CC/C=C\CCOCC1CC1C 34a_100000744939_100015370543 [1,0,0,1,0,0|2,0,0]=4 17865 B12R1.271 CC/C=C\CCOCC1CC1C 7a_100000744939_100015370543 [1,0,0,1,0,0|2,0,0]=4 17866 B12R1.271 CCOCCCOCC1CC1C 34a_100000744939_100012232248 [1,0,0,1,0,0|1,0,1]=4 17867 B12R1.271 CCOCCCOCC1CC1C 7a_100000744939_100012232248 [1,0,0,1,0,0|1,0,1]=4 17868 B12R1.272 CC/C=C/CCCOC1CCC1 34a_100016287902_100000749161 [1,0,0,1,0,0|2,0,0]=4 17869 B12R1.272 CC/C=C\CCNCC1CCC1 2230a_100000738700_100015370543 [1,0,0,1,0,0|2,0,0]=4 17870 B12R1.272 CC/C=C\CCNCC1CCC1 34a_100000738700_100015370543 [1,0,0,1,0,0|2,0,0]=4 17871 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100000760304_100015370543 [1,0,0,1,0,0|2,0,0]=4 17872 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100016288707_100000763275 [1,0,0,1,0,0|2,0,0]=4 17873 B12R1.272 CC/C=C\CCOCC1CCC1 7a_100016288707_100000763275 [1,0,0,1,0,0|2,0,0]=4 17874 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100000763275_100015370543 [1,0,0,1,0,0|2,0,0]=4 17875 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100015370543_100000763275 [1,0,0,1,0,0|2,0,0]=4 17876 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [1,0,0,1,0,0|2,0,0]=4 17877 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [1,0,0,1,0,0|1,0,1]=4 17878 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [1,0,0,1,0,0|1,0,1]=4 17879 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [1,0,0,1,0,0|1,0,1]=4 17880 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [1,0,0,1,0,0|1,0,1]=4 17881 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [1,0,0,1,0,0|1,0,1]=4 17882 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [1,0,0,1,0,0|1,0,1]=4 17883 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [1,0,0,1,0,0|1,0,1]=4 17884 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [1,0,0,1,0,0|1,0,1]=4 17885 B12R1.272 CCOCCCNCC1CCC1 2230a_100000210961_100000763275 [1,0,0,1,0,0|1,0,1]=4 17886 B12R1.272 CCOCCCNCC1CCC1 2230a_100000738700_100012232248 [1,0,0,1,0,0|1,0,1]=4 17887 B12R1.272 CCOCCCNCC1CCC1 269862a_100000210961_100000753134 [1,0,0,1,0,0|1,0,1]=4 17888 B12R1.272 CCOCCCNCC1CCC1 34a_100000210961_100000763275 [1,0,0,1,0,0|1,0,1]=4 17889 B12R1.272 CCOCCCNCC1CCC1 34a_100000738700_100012232248 [1,0,0,1,0,0|1,0,1]=4 17890 B12R1.272 CCOCCCOCC1CCC1 34a_100000757476_100000763275 [1,0,0,1,0,0|1,0,1]=4 17891 B12R1.272 CCOCCCOCC1CCC1 34a_100000760304_100012232248 [1,0,0,1,0,0|1,0,1]=4 17892 B12R1.272 CCOCCCOCC1CCC1 7a_100000757476_100000763275 [1,0,0,1,0,0|1,0,1]=4 17893 B12R1.272 CCOCCCSCC1CCC1 62a_100000763275_100012232248 [1,0,0,1,0,0|1,0,1]=4 17894 B12R1.272 CCOCCCSCC1CCC1 62a_100012232248_100000763275 [1,0,0,1,0,0|1,0,1]=4 17895 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [1,0,0,1,0,0|1,0,1]=4 17896 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [1,0,0,1,0,0|1,0,1]=4 17897 B12R1.320 CCCN1CCCC1COCC 34a_200000694710_100000210202 [1,0,0,1,0,0|1,0,1]=4 17898 B12R1.320 CCCN1CCCC1COCC 7a_200000694710_100000210202 [1,0,0,1,0,0|1,0,1]=4 17899 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [1,0,0,1,0,0|2,0,0]=4 17900 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [1,0,0,1,0,0|2,0,0]=4 17901 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [1,0,0,1,0,0|2,0,0]=4 17902 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [1,0,0,1,0,0|2,0,0]=4 17903 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [1,0,0,1,0,0|2,0,0]=4 17904 B12R1.329 CCCOC1CC/C=C\CCC1 34a_100000210258_100021000466 [1,0,0,1,0,0|2,0,0]=4 17905 B12R1.329 CCCOC1CC/C=C\CCC1 34a_100016989180_100000210303 [1,0,0,1,0,0|2,0,0]=4 17906 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [1,0,0,1,0,0|2,0,0]=4 17907 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [1,0,0,1,0,0|2,0,0]=4 17908 B12R1.329 CCCSC1CC/C=C\CCC1 62a_100000210303_100021000466 [1,0,0,1,0,0|2,0,0]=4 17909 B12R1.329 CCCSC1CC/C=C\CCC1 62a_100021000466_100000210303 [1,0,0,1,0,0|2,0,0]=4 17910 B12R1.329 CCNCC1CC/C=C\CCC1 2230a_100102730862_100000210202 [1,0,0,1,0,0|2,0,0]=4 17911 B12R1.329 CCNCC1CC/C=C\CCC1 34a_100102730862_100000210202 [1,0,0,1,0,0|2,0,0]=4 17912 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [1,0,0,1,0,0|0,0,1]=3 17913 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [1,0,0,1,0,0|0,0,1]=3 17914 B12R1.329 CCOCN1CCCCCCC1 269982a_100000211400_100000739092 [1,0,0,1,0,0|1,0,1]=4 17915 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [1,0,0,1,0,0|1,0,1]=4 17916 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [1,0,0,1,0,0|1,0,1]=4 17917 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 2230a_100020605311_100015370543 [1,0,0,1,0,0|2,0,0]=4 17918 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 269982a_100020605311_100015370543 [1,0,0,1,0,0|2,0,0]=4 17919 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 2230a_100015189458_100015370543 [1,0,0,1,0,0|2,0,0]=4 17920 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 269982a_100015189458_100015370543 [1,0,0,1,0,0|2,0,0]=4 17921 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 34a_100015189458_100015370543 [1,0,0,1,0,0|2,0,0]=4 17922 B12R1.372 CC/C=C\COC1CCCC1C 34a_100011216460_100103147603 [1,0,0,1,0,0|2,0,0]=4 17923 B12R1.372 CC/C=C\COC1CCCC1C 7a_100011216460_100103147603 [1,0,0,1,0,0|2,0,0]=4 17924 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [1,0,0,1,0,0|1,0,1]=4 17925 B12R1.372 CCOCCCN1CCC[C@@H]1C 2230a_100020605311_100012232248 [1,0,0,1,0,0|1,0,1]=4 17926 B12R1.372 CCOCCCN1CCC[C@@H]1C 269982a_100020605311_100012232248 [1,0,0,1,0,0|1,0,1]=4 17927 B12R1.372 CCOCCCN1CCC[C@H]1C 2230a_100015189458_100012232248 [1,0,0,1,0,0|1,0,1]=4 17928 B12R1.372 CCOCCCN1CCC[C@H]1C 269982a_100015189458_100012232248 [1,0,0,1,0,0|1,0,1]=4 17929 B12R1.372 CCOCCCN1CCC[C@H]1C 34a_100015189458_100012232248 [1,0,0,1,0,0|1,0,1]=4 17930 B12R1.372 CCOCCNC1CCCC1C 269862a_100011200944_100000752053 [1,0,0,1,0,0|1,0,1]=4 17931 B12R1.372 CCOCCOC1CCCC1C 34a_100011216460_100000210147 [1,0,0,1,0,0|1,0,1]=4 17932 B12R1.372 CCOCCOC1CCCC1C 7a_100011216460_100011215890 [1,0,0,1,0,0|1,0,1]=4 17933 B12R1.375 CC/C=C/CCCOCC1CC1 34a_100016287902_100000742324 [1,0,0,1,0,0|2,0,0]=4 17934 B12R1.375 CC/C=C/CCCOCC1CC1 7a_100016287902_100000742324 [1,0,0,1,0,0|2,0,0]=4 17935 B12R1.375 CC/C=C\CCCCOC1CC1 34a_100016287862_100000211595 [1,0,0,1,0,0|2,0,0]=4 17936 B12R1.375 CC/C=C\CCNCCC1CC1 34a_100000764129_100015370543 [1,0,0,1,0,0|2,0,0]=4 17937 B12R1.375 CC/C=C\CCOCCC1CC1 34a_100000754188_100015370543 [1,0,0,1,0,0|2,0,0]=4 17938 B12R1.375 CC/C=C\CCOCCC1CC1 34a_100016288707_100000694398 [1,0,0,1,0,0|2,0,0]=4 17939 B12R1.375 CC/C=C\CCOCCC1CC1 7a_100000754188_100015370543 [1,0,0,1,0,0|2,0,0]=4 17940 B12R1.375 CC/C=C\CCOCCC1CC1 7a_100016288707_100000764125 [1,0,0,1,0,0|2,0,0]=4 17941 B12R1.375 CC/C=C\CCSCCC1CC1 62a_100000764125_100015370543 [1,0,0,1,0,0|2,0,0]=4 17942 B12R1.375 CC/C=C\CCSCCC1CC1 62a_100015370543_100000764125 [1,0,0,1,0,0|2,0,0]=4 17943 B12R1.375 CCCCCCCCNC1CC1 34a_100000212008_100000210759 [1,0,0,1,0,0|2,0,0]=4 17944 B12R1.375 CCCCCCCCNC1CC1 34a_100000229939_100000211595 [1,0,0,1,0,0|2,0,0]=4 17945 B12R1.375 CCCCCCCCOC1CC1 34a_100000210232_100000211595 [1,0,0,1,0,0|2,0,0]=4 17946 B12R1.375 CCCCCCCCSC1CC1 62a_100000210759_100000211595 [1,0,0,1,0,0|2,0,0]=4 17947 B12R1.375 CCOCCCNCCC1CC1 2230a_100000210961_100000694398 [1,0,0,1,0,0|1,0,1]=4 17948 B12R1.375 CCOCCCNCCC1CC1 34a_100000210961_100000694398 [1,0,0,1,0,0|1,0,1]=4 17949 B12R1.375 CCOCCCNCCC1CC1 34a_100000764129_100012232248 [1,0,0,1,0,0|1,0,1]=4 17950 B12R1.375 CCOCCCOCCC1CC1 34a_100000754188_100012232248 [1,0,0,1,0,0|1,0,1]=4 17951 B12R1.375 CCOCCCOCCC1CC1 34a_100000757476_100000694398 [1,0,0,1,0,0|1,0,1]=4 17952 B12R1.375 CCOCCCOCCC1CC1 7a_100000754188_100012232248 [1,0,0,1,0,0|1,0,1]=4 17953 B12R1.375 CCOCCCOCCC1CC1 7a_100000757476_100000764125 [1,0,0,1,0,0|1,0,1]=4 17954 B12R1.375 CCOCCCSCCC1CC1 62a_100000764125_100012232248 [1,0,0,1,0,0|1,0,1]=4 17955 B12R1.375 CCOCCCSCCC1CC1 62a_100012232248_100000764125 [1,0,0,1,0,0|1,0,1]=4 17956 B12R1.1414 CC/C=C\CN1CCCCCC1 2230a_100000185865_100103147603 [1,0,0,1,0,0|2,0,0]=4 17957 B12R1.1414 CC/C=C\CN1CCCCCC1 269982a_100000185865_100103147603 [1,0,0,1,0,0|2,0,0]=4 17958 B12R1.1414 CC/C=C\CN1CCCCCC1 34a_100000185865_100103147603 [1,0,0,1,0,0|2,0,0]=4 17959 B12R1.1414 CCCCCN1CCCOCC1 2230a_100000685342_100000210326 [1,0,0,1,0,0|1,0,1]=4 17960 B12R1.1414 CCCCCN1CCCOCC1 269982a_100000685342_100000210215 [1,0,0,1,0,0|1,0,1]=4 17961 B12R1.1414 CCCCCN1CCCOCC1 34a_100000685342_100000718602 [1,0,0,1,0,0|1,0,1]=4 17962 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [1,0,0,1,0,0|2,0,0]=4 17963 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [1,0,0,1,0,0|2,0,0]=4 17964 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [1,0,0,1,0,0|2,0,0]=4 17965 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [1,0,0,1,0,0|2,0,0]=4 17966 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [1,0,0,1,0,0|2,0,0]=4 17967 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [1,0,0,1,0,0|2,0,0]=4 17968 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [1,0,0,1,0,0|2,0,0]=4 17969 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [1,0,0,1,0,0|2,0,0]=4 17970 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [1,0,0,1,0,0|1,0,1]=4 17971 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [1,0,0,1,0,0|1,0,1]=4 17972 B12R1.1414 CCOCCN1CCCCCC1 2230a_100000185865_100011215890 [1,0,0,1,0,0|1,0,1]=4 17973 B12R1.1414 CCOCCN1CCCCCC1 269982a_100000185865_100011215890 [1,0,0,1,0,0|1,0,1]=4 17974 B12R1.1414 CCOCCN1CCCCCC1 34a_100000185865_100000210147 [1,0,0,1,0,0|1,0,1]=4 17975 B12R1.1414 CCOCCN1CCCCCC1 34a_100000238007_100000210202 [1,0,0,1,0,0|1,0,1]=4 17976 B12R1.1414 CCOCSC1CCCCCC1 62a_100000739092_100011217769 [1,0,0,1,0,0|1,0,1]=4 17977 B12R1.1414 CCOCSC1CCCCCC1 62a_100011217769_100000739092 [1,0,0,1,0,0|1,0,1]=4 17978 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [1,0,0,1,0,0|2,0,0]=4 17979 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [1,0,0,1,0,0|1,0,0]=3 17980 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [1,0,0,1,0,0|2,0,0]=4 17981 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [1,0,0,1,0,0|2,0,0]=4 17982 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [1,0,0,1,0,0|2,0,0]=4 17983 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [1,0,0,1,0,0|2,0,0]=4 17984 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [1,0,0,1,0,0|2,0,0]=4 17985 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [1,0,0,1,0,0|2,0,0]=4 17986 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [1,0,0,1,0,0|2,0,0]=4 17987 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [1,0,0,1,0,0|2,0,0]=4 17988 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [1,0,0,1,0,0|2,0,0]=4 17989 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [1,0,0,1,0,0|2,0,0]=4 17990 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [1,0,0,1,0,0|1,0,1]=4 17991 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [1,0,0,1,0,0|1,0,1]=4 17992 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [1,0,0,1,0,0|1,0,0]=3 17993 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [1,0,0,1,0,0|1,0,0]=3 17994 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [1,0,0,1,0,0|2,0,0]=4 17995 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [1,0,0,1,0,0|2,0,0]=4 17996 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [1,0,0,1,0,0|2,0,0]=4 17997 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [1,0,0,1,0,0|2,0,0]=4 17998 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [1,0,0,1,0,0|2,0,0]=4 17999 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [1,0,0,1,0,0|2,0,0]=4 18000 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [1,0,0,1,0,0|2,0,0]=4 18001 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 18002 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 18003 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 18004 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [1,0,0,1,0,0|2,0,0]=4 18005 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [1,0,0,1,0,0|1,0,0]=3 18006 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [1,0,0,1,0,0|1,0,0]=3 18007 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [1,0,0,1,0,0|1,0,0]=3 18008 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [1,0,0,1,0,0|2,0,0]=4 18009 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [1,0,0,1,0,0|2,0,0]=4 18010 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [1,0,0,1,0,0|2,0,0]=4 18011 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [1,0,0,1,0,0|2,0,0]=4 18012 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [1,0,0,1,0,0|2,0,0]=4 18013 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [1,0,0,1,0,0|2,0,0]=4 18014 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [1,0,0,1,0,0|2,0,0]=4 18015 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [1,0,0,1,0,0|2,0,0]=4 18016 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [1,0,0,1,0,0|2,0,0]=4 18017 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [1,0,0,1,0,0|2,0,0]=4 18018 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [1,0,0,1,0,0|2,0,0]=4 18019 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [1,0,0,1,0,0|2,0,0]=4 18020 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [1,0,0,1,0,0|2,0,0]=4 18021 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [1,0,0,1,0,0|2,0,0]=4 18022 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [1,0,0,1,0,0|2,0,0]=4 18023 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [1,0,0,1,0,0|2,0,0]=4 18024 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [1,0,0,1,0,0|2,0,0]=4 18025 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [1,0,0,1,0,0|2,0,0]=4 18026 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [1,0,0,1,0,0|2,0,0]=4 18027 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [1,0,0,1,0,0|2,0,0]=4 18028 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [1,0,0,1,0,0|2,0,0]=4 18029 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [1,0,0,1,0,0|2,0,0]=4 18030 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [1,0,0,1,0,0|2,0,0]=4 18031 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [1,0,0,1,0,0|2,0,0]=4 18032 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [1,0,0,1,0,0|2,0,0]=4 18033 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [1,0,0,1,0,0|2,0,0]=4 18034 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [1,0,0,1,0,0|2,0,0]=4 18035 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [1,0,0,1,0,0|2,0,0]=4 18036 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [1,0,0,1,0,0|2,0,0]=4 18037 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [1,0,0,1,0,0|2,0,0]=4 18038 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [1,0,0,1,0,0|1,0,1]=4 18039 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [1,0,0,1,0,0|1,0,1]=4 18040 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [1,0,0,1,0,0|1,0,0]=3 18041 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [1,0,0,1,0,0|1,0,0]=3 18042 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [1,0,0,1,0,0|2,0,0]=4 18043 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [1,0,0,1,0,0|2,0,0]=4 18044 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [1,0,0,1,0,0|2,0,0]=4 18045 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [1,0,0,1,0,0|2,0,0]=4 18046 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [1,0,0,1,0,0|2,0,0]=4 18047 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [1,0,0,1,0,0|2,0,0]=4 18048 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [1,0,0,1,0,0|2,0,0]=4 18049 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [1,0,0,1,0,0|2,0,0]=4 18050 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 18051 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 18052 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 18053 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [1,0,0,1,0,0|2,0,0]=4 18054 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [1,0,0,1,0,0|1,0,0]=3 18055 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [1,0,0,1,0,0|1,0,0]=3 18056 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [1,0,0,1,0,0|1,0,0]=3 18057 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [1,0,0,1,0,0|2,0,0]=4 18058 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [1,0,0,1,0,0|2,0,0]=4 18059 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [1,0,0,1,0,0|2,0,0]=4 18060 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [1,0,0,1,0,0|2,0,0]=4 18061 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [1,0,0,1,0,0|2,0,0]=4 18062 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [1,0,0,1,0,0|2,0,0]=4 18063 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [1,0,0,1,0,0|2,0,0]=4 18064 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [1,0,0,1,0,0|2,0,0]=4 18065 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [1,0,0,1,0,0|2,0,0]=4 18066 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [1,0,0,1,0,0|2,0,0]=4 18067 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [1,0,0,1,0,0|2,0,0]=4 18068 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [1,0,0,1,0,0|2,0,0]=4 18069 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [1,0,0,1,0,0|2,0,0]=4 18070 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [1,0,0,1,0,0|2,0,0]=4 18071 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [1,0,0,1,0,0|2,0,0]=4 18072 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [1,0,0,1,0,0|2,0,0]=4 18073 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [1,0,0,1,0,0|2,0,0]=4 18074 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 18075 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 18076 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 18077 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 18078 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [1,0,0,1,0,0|2,0,0]=4 18079 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [1,0,0,1,0,0|2,0,0]=4 18080 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [1,0,0,1,0,0|1,0,0]=3 18081 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [1,0,0,1,0,0|1,0,0]=3 18082 B12R1.51 CCOC(=O)CCN1CCSC1 2230a_100011215254_100011206558 [1,0,0,1,0,0|2,0,0]=4 18083 B12R1.51 CCOC(=O)CCN1CCSC1 269982a_100011215254_100011206558 [1,0,0,1,0,0|2,0,0]=4 18084 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [1,0,0,1,0,0|1,0,0]=3 18085 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [1,0,0,1,0,0|1,0,0]=3 18086 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [1,0,0,1,0,0|2,0,0]=4 18087 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [1,0,0,1,0,0|2,0,0]=4 18088 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [1,0,0,1,0,0|2,0,0]=4 18089 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [1,0,0,1,0,0|1,0,0]=3 18090 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [1,0,0,1,0,0|1,0,0]=3 18091 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [1,0,0,1,0,0|2,0,0]=4 18092 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [1,0,0,1,0,0|2,0,0]=4 18093 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [1,0,0,1,0,0|2,0,0]=4 18094 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [1,0,0,1,0,0|1,0,0]=3 18095 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [1,0,0,1,0,0|1,0,0]=3 18096 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [1,0,0,1,0,0|2,0,0]=4 18097 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [1,0,0,1,0,0|2,0,0]=4 18098 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [1,0,0,1,0,0|2,0,0]=4 18099 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [1,0,0,1,0,0|2,0,0]=4 18100 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [1,0,0,1,0,0|2,0,0]=4 18101 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [1,0,0,1,0,0|2,0,0]=4 18102 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [1,0,0,1,0,0|2,0,0]=4 18103 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [1,0,0,1,0,0|2,0,0]=4 18104 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [1,0,0,1,0,0|2,0,0]=4 18105 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [1,0,0,1,0,0|1,0,0]=3 18106 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [1,0,0,1,0,0|2,0,0]=4 18107 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 18108 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 18109 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 18110 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [1,0,0,1,0,0|2,0,0]=4 18111 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [1,0,0,1,0,0|2,0,0]=4 18112 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [1,0,0,1,0,0|1,0,0]=3 18113 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [1,0,0,1,0,0|1,0,0]=3 18114 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [1,0,0,1,0,0|1,0,0]=3 18115 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [1,0,0,1,0,0|2,0,0]=4 18116 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [1,0,0,1,0,0|2,0,0]=4 18117 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [1,0,0,1,0,0|2,0,0]=4 18118 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [1,0,0,1,0,0|2,0,0]=4 18119 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [1,0,0,1,0,0|2,0,0]=4 18120 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [1,0,0,1,0,0|1,0,0]=3 18121 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [1,0,0,1,0,0|1,0,0]=3 18122 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [1,0,0,1,0,0|1,0,0]=3 18123 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [1,0,0,1,0,0|1,0,0]=3 18124 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [1,0,0,1,0,0|2,0,0]=4 18125 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [1,0,0,1,0,0|2,0,0]=4 18126 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [1,0,0,1,0,0|2,0,0]=4 18127 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [1,0,0,1,0,0|2,0,0]=4 18128 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [1,0,0,1,0,0|2,0,0]=4 18129 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [1,0,0,1,0,0|2,0,0]=4 18130 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [1,0,0,1,0,0|2,0,0]=4 18131 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [1,0,0,1,0,0|2,0,0]=4 18132 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [1,0,0,1,0,0|2,0,0]=4 18133 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [1,0,0,1,0,0|2,0,0]=4 18134 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [1,0,0,1,0,0|2,0,0]=4 18135 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [1,0,0,1,0,0|2,0,0]=4 18136 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [1,0,0,1,0,0|2,0,0]=4 18137 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [1,0,0,1,0,0|2,0,0]=4 18138 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [1,0,0,1,0,0|2,0,0]=4 18139 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [1,0,0,1,0,0|2,0,0]=4 18140 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [1,0,0,1,0,0|2,0,0]=4 18141 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [1,0,0,1,0,0|2,0,0]=4 18142 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [1,0,0,1,0,0|2,0,0]=4 18143 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [1,0,0,1,0,0|2,0,0]=4 18144 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [1,0,0,1,0,0|2,0,0]=4 18145 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [1,0,0,1,0,0|2,0,0]=4 18146 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [1,0,0,1,0,0|2,0,0]=4 18147 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [1,0,0,1,0,0|1,0,0]=3 18148 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [1,0,0,1,0,0|1,0,0]=3 18149 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [1,0,0,1,0,0|1,0,0]=3 18150 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [1,0,0,1,0,0|1,0,0]=3 18151 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [1,0,0,1,0,0|1,0,0]=3 18152 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [1,0,0,1,0,0|2,0,0]=4 18153 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [1,0,0,1,0,0|1,0,0]=3 18154 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [1,0,0,1,0,0|1,0,0]=3 18155 B12R1.310 CCOC(=O)CCSCC1CO1 62a_100000765890_102125554688 [1,0,0,1,0,0|2,0,0]=4 18156 B12R1.310 CCOC(=O)CCSCC1CO1 62a_102125554688_100000765890 [1,0,0,1,0,0|2,0,0]=4 18157 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000031435_100000765890 [1,0,0,1,0,0|2,0,0]=4 18158 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000765890_100000031435 [1,0,0,1,0,0|2,0,0]=4 18159 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000765890 [1,0,0,1,0,0|2,0,0]=4 18160 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000765890_100000745022 [1,0,0,1,0,0|2,0,0]=4 18161 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [1,0,0,1,0,0|1,0,0]=3 18162 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [1,0,0,1,0,0|1,0,0]=3 18163 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [1,0,0,1,0,0|1,0,0]=3 18164 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [1,0,0,1,0,0|2,0,0]=4 18165 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [1,0,0,1,0,0|1,0,0]=3 18166 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [1,0,0,1,0,0|1,0,0]=3 18167 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [1,0,0,1,0,0|2,0,0]=4 18168 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [1,0,0,1,0,0|2,0,0]=4 18169 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [1,0,0,1,0,0|2,0,0]=4 18170 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [1,0,0,1,0,0|2,0,0]=4 18171 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [1,0,0,1,0,0|2,0,0]=4 18172 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [1,0,0,1,0,0|1,0,0]=3 18173 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [1,0,0,1,0,0|1,0,0]=3 18174 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [1,0,0,1,0,0|2,0,0]=4 18175 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [1,0,0,1,0,0|2,0,0]=4 18176 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [1,0,0,1,0,0|2,0,0]=4 18177 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [1,0,0,1,0,0|2,0,0]=4 18178 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [1,0,0,1,0,0|2,0,0]=4 18179 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [1,0,0,1,0,0|2,0,0]=4 18180 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [1,0,0,1,0,0|2,0,0]=4 18181 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [1,0,0,1,0,0|2,0,0]=4 18182 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [1,0,0,1,0,0|2,0,0]=4 18183 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [1,0,0,1,0,0|2,0,0]=4 18184 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [1,0,0,1,0,0|2,0,0]=4 18185 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [1,0,0,1,0,0|2,0,0]=4 18186 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [1,0,0,1,0,0|2,0,0]=4 18187 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [1,0,0,1,0,0|1,0,0]=3 18188 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [1,0,0,1,0,0|1,0,0]=3 18189 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [1,0,0,1,0,0|1,0,0]=3 18190 B12R1.315 CCOC(=O)CCNC1COC1 2230a_100016991112_100011206558 [1,0,0,1,0,0|2,0,0]=4 18191 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [1,0,0,1,0,0|1,0,0]=3 18192 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [1,0,0,1,0,0|2,0,0]=4 18193 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [1,0,0,1,0,0|1,0,0]=3 18194 B12R1.315 CCOC(=O)CCSC1COC1 62a_100000765890_100009818527 [1,0,0,1,0,0|2,0,0]=4 18195 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [1,0,0,1,0,0|1,0,0]=3 18196 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [1,0,0,1,0,0|1,0,0]=3 18197 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [1,0,0,1,0,0|2,0,0]=4 18198 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [1,0,0,1,0,0|2,0,0]=4 18199 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [1,0,0,1,0,0|2,0,0]=4 18200 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [1,0,0,1,0,0|2,0,0]=4 18201 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [1,0,0,1,0,0|1,0,0]=3 18202 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [1,0,0,1,0,0|2,0,0]=4 18203 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [1,0,0,1,0,0|2,0,0]=4 18204 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [1,0,0,1,0,0|2,0,0]=4 18205 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [1,0,0,1,0,0|1,0,0]=3 18206 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [1,0,0,1,0,0|1,0,0]=3 18207 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [1,0,0,1,0,0|2,0,0]=4 18208 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [1,0,0,1,0,0|2,0,0]=4 18209 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [1,0,0,1,0,0|2,0,0]=4 18210 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [1,0,0,1,0,0|2,0,0]=4 18211 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [1,0,0,1,0,0|2,0,0]=4 18212 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [1,0,0,1,0,0|2,0,0]=4 18213 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 18214 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 18215 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 18216 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [1,0,0,1,0,0|2,0,0]=4 18217 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [1,0,0,1,0,0|2,0,0]=4 18218 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [1,0,0,1,0,0|2,0,0]=4 18219 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [1,0,0,1,0,0|2,0,0]=4 18220 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [1,0,0,1,0,0|2,0,0]=4 18221 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [1,0,0,1,0,0|2,0,0]=4 18222 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [1,0,0,1,0,0|2,0,0]=4 18223 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [1,0,0,1,0,0|2,0,0]=4 18224 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [1,0,0,1,0,0|1,0,0]=3 18225 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [1,0,0,1,0,0|1,0,0]=3 18226 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [1,0,0,1,0,0|2,0,0]=4 18227 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [1,0,0,1,0,0|1,0,0]=3 18228 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [1,0,0,1,0,0|1,0,0]=3 18229 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC 269982a_100016989239_100000204670 [1,0,0,1,0,0|2,0,0]=4 18230 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [1,0,0,1,0,0|2,0,0]=4 18231 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [1,0,0,1,0,0|2,0,0]=4 18232 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [1,0,0,1,0,0|2,0,0]=4 18233 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [1,0,0,1,0,0|2,0,0]=4 18234 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [1,0,0,1,0,0|2,0,0]=4 18235 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [1,0,0,1,0,0|2,0,0]=4 18236 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [1,0,0,1,0,0|2,0,0]=4 18237 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [1,0,0,1,0,0|2,0,0]=4 18238 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [1,0,0,1,0,0|2,0,0]=4 18239 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [1,0,0,1,0,0|1,0,0]=3 18240 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [1,0,0,1,0,0|1,0,0]=3 18241 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [1,0,0,1,0,0|1,0,0]=3 18242 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [1,0,0,1,0,0|1,0,0]=3 18243 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [1,0,0,1,0,0|1,0,0]=3 18244 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [1,0,0,1,0,0|2,0,0]=4 18245 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [1,0,0,1,0,0|2,0,0]=4 18246 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [1,0,0,1,0,0|2,0,0]=4 18247 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [1,0,0,1,0,0|2,0,0]=4 18248 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [1,0,0,1,0,0|2,0,0]=4 18249 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [1,0,0,1,0,0|1,0,0]=3 18250 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [1,0,0,1,0,0|2,0,0]=4 18251 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 18252 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 18253 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 18254 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [1,0,0,1,0,0|2,0,0]=4 18255 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [1,0,0,1,0,0|2,0,0]=4 18256 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [1,0,0,1,0,0|2,0,0]=4 18257 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [1,0,0,1,0,0|2,0,0]=4 18258 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [1,0,0,1,0,0|2,0,0]=4 18259 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [1,0,0,1,0,0|2,0,0]=4 18260 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [1,0,0,1,0,0|2,0,0]=4 18261 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [1,0,0,1,0,0|2,0,0]=4 18262 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [1,0,0,1,0,0|2,0,0]=4 18263 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [1,0,0,1,0,0|2,0,0]=4 18264 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [1,0,0,1,0,0|2,0,0]=4 18265 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [1,0,0,1,0,0|2,0,0]=4 18266 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [1,0,0,1,0,0|2,0,0]=4 18267 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011206558 [1,0,0,1,0,0|2,0,0]=4 18268 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011206558 [1,0,0,1,0,0|2,0,0]=4 18269 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000765890 [1,0,0,1,0,0|2,0,0]=4 18270 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [1,0,0,1,0,0|1,0,0]=3 18271 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [1,0,0,1,0,0|1,0,0]=3 18272 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [1,0,0,1,0,0|1,0,1]=4 18273 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [1,0,0,1,0,0|1,0,1]=4 18274 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [1,0,0,1,0,0|1,0,0]=3 18275 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [1,0,0,1,0,0|1,0,0]=3 18276 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 18277 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 18278 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 18279 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [1,0,0,1,0,0|2,0,0]=4 18280 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [1,0,0,1,0,0|1,0,0]=3 18281 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [1,0,0,1,0,0|1,0,0]=3 18282 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [1,0,0,1,0,0|1,0,0]=3 18283 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [1,0,0,1,0,0|2,0,0]=4 18284 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [1,0,0,1,0,0|2,0,0]=4 18285 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [1,0,0,1,0,0|2,0,0]=4 18286 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [1,0,0,1,0,0|2,0,0]=4 18287 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [1,0,0,1,0,0|2,0,0]=4 18288 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [1,0,0,1,0,0|2,0,0]=4 18289 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [1,0,0,1,0,0|2,0,0]=4 18290 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [1,0,0,1,0,0|2,0,0]=4 18291 B12R1.1 C=C1CCC(CC1)COCCC 34a_100000074039_100000210303 [1,0,0,1,0,0|2,0,0]=4 18292 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [1,0,0,1,0,0|2,0,0]=4 18293 B12R1.1 C=C1CCN(CC1)CCCCC 2230a_100000752442_100000210326 [1,0,0,1,0,0|2,0,0]=4 18294 B12R1.1 C=C1CCN(CC1)CCCCC 269982a_100000752442_100000210215 [1,0,0,1,0,0|2,0,0]=4 18295 B12R1.1 C=C1CCN(CC1)CCCCC 34a_100000752442_100000718602 [1,0,0,1,0,0|2,0,0]=4 18296 B12R1.1 CCCCCN1CCS(=O)CC1 2230a_100000752083_100000210326 [1,0,0,1,0,0|2,0,0]=4 18297 B12R1.1 CCCCCN1CCS(=O)CC1 269982a_100000752083_100000210215 [1,0,0,1,0,0|2,0,0]=4 18298 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [1,0,0,1,0,0|2,0,0]=4 18299 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [1,0,0,1,0,0|2,0,0]=4 18300 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [1,0,0,1,0,0|1,0,0]=3 18301 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [1,0,0,1,0,0|1,0,0]=3 18302 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [1,0,0,1,0,0|2,0,0]=4 18303 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [1,0,0,1,0,0|1,0,0]=3 18304 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [1,0,0,1,0,0|2,0,0]=4 18305 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [1,0,0,1,0,0|2,0,0]=4 18306 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [1,0,0,1,0,0|2,0,0]=4 18307 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [1,0,0,1,0,0|2,0,0]=4 18308 B12R1.1 CSCOCC1CCC(=O)CC1 34a_100000062911_100011218213 [1,0,0,1,0,0|2,0,0]=4 18309 B12R1.1 O=C1CCC(CC1)COCCF 34a_100000062911_100011217306 [1,0,0,1,0,0|2,0,0]=4 18310 B12R1.1 O=C1CCC(CC1)COCCO 34a_100000062911_100000211926 [1,0,0,1,0,0|2,0,0]=4 18311 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [1,0,0,1,0,0|2,0,0]=4 18312 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [1,0,0,1,0,0|2,0,0]=4 18313 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [1,0,0,1,0,0|2,0,0]=4 18314 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [1,0,0,1,0,0|2,0,0]=4 18315 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [1,0,0,1,0,0|2,0,0]=4 18316 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [1,0,0,1,0,0|2,0,0]=4 18317 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [1,0,0,1,0,0|1,0,0]=3 18318 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [1,0,0,1,0,0|2,0,0]=4 18319 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [1,0,0,1,0,0|2,0,0]=4 18320 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [1,0,0,1,0,0|2,0,0]=4 18321 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [1,0,0,1,0,0|2,0,0]=4 18322 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [1,0,0,1,0,0|2,0,0]=4 18323 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [1,0,0,1,0,0|2,0,0]=4 18324 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [1,0,0,1,0,0|2,0,0]=4 18325 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [1,0,0,1,0,0|2,0,0]=4 18326 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [1,0,0,1,0,0|2,0,0]=4 18327 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [1,0,0,1,0,0|2,0,0]=4 18328 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [1,0,0,1,0,0|2,0,0]=4 18329 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [1,0,0,1,0,0|2,0,0]=4 18330 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [1,0,0,1,0,0|2,0,0]=4 18331 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [1,0,0,1,0,0|2,0,0]=4 18332 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [1,0,0,1,0,0|2,0,0]=4 18333 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [1,0,0,1,0,0|2,0,0]=4 18334 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [1,0,0,1,0,0|2,0,0]=4 18335 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [1,0,0,1,0,0|2,0,0]=4 18336 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [1,0,0,1,0,0|2,0,0]=4 18337 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [1,0,0,1,0,0|2,0,0]=4 18338 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [1,0,0,1,0,0|2,0,0]=4 18339 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [1,0,0,1,0,0|2,0,0]=4 18340 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [1,0,0,1,0,0|2,0,0]=4 18341 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [1,0,0,1,0,0|2,0,0]=4 18342 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [1,0,0,1,0,0|2,0,0]=4 18343 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [1,0,0,1,0,0|2,0,0]=4 18344 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [1,0,0,1,0,0|2,0,0]=4 18345 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [1,0,0,1,0,0|2,0,0]=4 18346 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [1,0,0,1,0,0|2,0,0]=4 18347 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [1,0,0,1,0,0|2,0,0]=4 18348 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [1,0,0,1,0,0|2,0,0]=4 18349 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [1,0,0,1,0,0|2,0,0]=4 18350 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [1,0,0,1,0,0|2,0,0]=4 18351 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [1,0,0,1,0,0|0,0,2]=4 18352 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [1,0,0,1,0,0|0,0,2]=4 18353 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [1,0,0,1,0,0|0,0,2]=4 18354 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [1,0,0,1,0,0|0,0,0]=2 18355 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [1,0,0,1,0,0|0,0,0]=2 18356 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [1,0,0,1,0,0|1,0,0]=3 18357 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [1,0,0,1,0,0|2,0,0]=4 18358 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [1,0,0,1,0,0|1,0,0]=3 18359 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [1,0,0,1,0,0|1,0,0]=3 18360 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [1,0,0,1,0,0|2,0,0]=4 18361 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000210414_100000753993 [1,0,0,1,0,0|2,0,0]=4 18362 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000749337_100000210202 [1,0,0,1,0,0|2,0,0]=4 18363 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [1,0,0,1,0,0|1,0,0]=3 18364 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [1,0,0,1,0,0|1,0,0]=3 18365 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [1,0,0,1,0,0|1,0,0]=3 18366 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [1,0,0,1,0,0|1,0,0]=3 18367 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [1,0,0,1,0,0|2,0,0]=4 18368 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [1,0,0,1,0,0|2,0,0]=4 18369 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [1,0,0,1,0,0|2,0,0]=4 18370 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [1,0,0,1,0,0|2,0,0]=4 18371 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [1,0,0,1,0,0|1,0,0]=3 18372 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [1,0,0,1,0,0|1,0,0]=3 18373 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [1,0,0,1,0,0|2,0,0]=4 18374 B12R1.27 CCC(=O)CSC1CCOCC1 62a_100000747405_100011324220 [1,0,0,1,0,0|2,0,0]=4 18375 B12R1.27 CCC(=O)CSC1CCSCC1 62a_100000747405_100000069128 [1,0,0,1,0,0|2,0,0]=4 18376 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [1,0,0,1,0,0|1,0,0]=3 18377 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [1,0,0,1,0,0|1,0,0]=3 18378 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [1,0,0,1,0,0|1,0,0]=3 18379 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [1,0,0,1,0,0|1,0,0]=3 18380 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [1,0,0,1,0,0|2,0,0]=4 18381 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [1,0,0,1,0,0|2,0,0]=4 18382 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [1,0,0,1,0,0|2,0,0]=4 18383 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [1,0,0,1,0,0|2,0,0]=4 18384 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [1,0,0,1,0,0|2,0,0]=4 18385 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [1,0,0,1,0,0|2,0,0]=4 18386 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [1,0,0,1,0,0|2,0,0]=4 18387 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [1,0,0,1,0,0|2,0,0]=4 18388 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [1,0,0,1,0,0|2,0,0]=4 18389 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [1,0,0,1,0,0|2,0,0]=4 18390 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [1,0,0,1,0,0|2,0,0]=4 18391 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [1,0,0,1,0,0|2,0,0]=4 18392 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [1,0,0,1,0,0|2,0,0]=4 18393 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [1,0,0,1,0,0|2,0,0]=4 18394 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [1,0,0,1,0,0|2,0,0]=4 18395 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [1,0,0,1,0,0|2,0,0]=4 18396 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [1,0,0,1,0,0|2,0,0]=4 18397 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [1,0,0,1,0,0|2,0,0]=4 18398 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [1,0,0,1,0,0|1,0,0]=3 18399 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [1,0,0,1,0,0|1,0,0]=3 18400 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [1,0,0,1,0,0|1,0,0]=3 18401 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [1,0,0,1,0,0|1,0,0]=3 18402 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [1,0,0,1,0,0|2,0,0]=4 18403 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [1,0,0,1,0,0|2,0,0]=4 18404 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [1,0,0,1,0,0|2,0,0]=4 18405 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [1,0,0,1,0,0|2,0,0]=4 18406 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [1,0,0,1,0,0|2,0,0]=4 18407 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [1,0,0,1,0,0|2,0,0]=4 18408 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [1,0,0,1,0,0|2,0,0]=4 18409 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [1,0,0,1,0,0|2,0,0]=4 18410 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [1,0,0,1,0,0|2,0,0]=4 18411 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [1,0,0,1,0,0|2,0,0]=4 18412 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [1,0,0,1,0,0|2,0,0]=4 18413 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [1,0,0,1,0,0|2,0,0]=4 18414 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [1,0,0,1,0,0|2,0,0]=4 18415 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [1,0,0,1,0,0|2,0,0]=4 18416 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [1,0,0,1,0,0|2,0,0]=4 18417 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [1,0,0,1,0,0|2,0,0]=4 18418 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [1,0,0,1,0,0|2,0,0]=4 18419 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [1,0,0,1,0,0|2,0,0]=4 18420 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [1,0,0,1,0,0|2,0,0]=4 18421 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [1,0,0,1,0,0|2,0,0]=4 18422 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [1,0,0,1,0,0|2,0,0]=4 18423 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [1,0,0,1,0,0|2,0,0]=4 18424 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [1,0,0,1,0,0|2,0,0]=4 18425 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [1,0,0,1,0,0|2,0,0]=4 18426 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [1,0,0,1,0,0|2,0,0]=4 18427 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [1,0,0,1,0,0|2,0,0]=4 18428 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [1,0,0,1,0,0|1,0,0]=3 18429 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [1,0,0,1,0,0|1,0,0]=3 18430 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [1,0,0,1,0,0|2,0,0]=4 18431 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [1,0,0,1,0,0|2,0,0]=4 18432 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [1,0,0,1,0,0|2,0,0]=4 18433 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [1,0,0,1,0,0|2,0,0]=4 18434 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [1,0,0,1,0,0|2,0,0]=4 18435 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [1,0,0,1,0,0|2,0,0]=4 18436 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [1,0,0,1,0,0|1,0,0]=3 18437 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [1,0,0,1,0,0|1,0,0]=3 18438 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [1,0,0,1,0,0|2,0,0]=4 18439 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [1,0,0,1,0,0|2,0,0]=4 18440 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [1,0,0,1,0,0|2,0,0]=4 18441 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [1,0,0,1,0,0|2,0,0]=4 18442 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [1,0,0,1,0,0|2,0,0]=4 18443 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [1,0,0,1,0,0|2,0,0]=4 18444 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [1,0,0,1,0,0|1,0,0]=3 18445 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [1,0,0,1,0,0|1,0,0]=3 18446 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [1,0,0,1,0,0|2,0,0]=4 18447 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [1,0,0,1,0,0|2,0,0]=4 18448 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [1,0,0,1,0,0|2,0,0]=4 18449 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [1,0,0,1,0,0|1,0,0]=3 18450 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [1,0,0,1,0,0|2,0,0]=4 18451 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [1,0,0,1,0,0|2,0,0]=4 18452 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [1,0,0,1,0,0|1,0,0]=3 18453 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [1,0,0,1,0,0|2,0,0]=4 18454 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [1,0,0,1,0,0|2,0,0]=4 18455 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [1,0,0,1,0,0|2,0,0]=4 18456 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [1,0,0,1,0,0|2,0,0]=4 18457 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [1,0,0,1,0,0|2,0,0]=4 18458 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [1,0,0,1,0,0|1,0,0]=3 18459 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [1,0,0,1,0,0|1,0,0]=3 18460 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [1,0,0,1,0,0|1,0,0]=3 18461 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [1,0,0,1,0,0|1,0,0]=3 18462 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [1,0,0,1,0,0|1,0,0]=3 18463 B12R1.77 CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210414 [1,0,0,1,0,0|2,0,0]=4 18464 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000210414 [1,0,0,1,0,0|2,0,0]=4 18465 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000210414 [1,0,0,1,0,0|2,0,0]=4 18466 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000210414 [1,0,0,1,0,0|2,0,0]=4 18467 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000210414 [1,0,0,1,0,0|2,0,0]=4 18468 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [1,0,0,1,0,0|2,0,0]=4 18469 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [1,0,0,1,0,0|2,0,0]=4 18470 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [1,0,0,1,0,0|2,0,0]=4 18471 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [1,0,0,1,0,0|2,0,0]=4 18472 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [1,0,0,1,0,0|2,0,0]=4 18473 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [1,0,0,1,0,0|2,0,0]=4 18474 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [1,0,0,1,0,0|2,0,0]=4 18475 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [1,0,0,1,0,0|2,0,0]=4 18476 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [1,0,0,1,0,0|2,0,0]=4 18477 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [1,0,0,1,0,0|2,0,0]=4 18478 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [1,0,0,1,0,0|2,0,0]=4 18479 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [1,0,0,1,0,0|1,0,0]=3 18480 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [1,0,0,1,0,0|1,0,0]=3 18481 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [1,0,0,1,0,0|1,0,0]=3 18482 B12R1.77 CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210202 [1,0,0,1,0,0|2,0,0]=4 18483 B12R1.77 CCN1CCOCC1C(=O)OC 34a_100000765174_100000210202 [1,0,0,1,0,0|2,0,0]=4 18484 B12R1.77 COC(=O)C1CCCCN1CF 269982a_100000734855_100015361967 [1,0,0,1,0,0|2,0,0]=4 18485 B12R1.77 COC(=O)C1CCCCN1CF 34a_100000734855_100015361967 [1,0,0,1,0,0|2,0,0]=4 18486 B12R1.77 COC(=O)C1CNCCC1OC 34a_200103168510_200000210301 [1,0,0,1,0,0|2,0,0]=4 18487 B12R1.77 COC(=O)C1CNCCC1O[13CH3] 34a_200103168510_200025704644 [1,0,0,1,0,0|2,0,0]=4 18488 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [1,0,0,1,0,0|1,0,0]=3 18489 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [1,0,0,1,0,0|1,0,0]=3 18490 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [1,0,0,1,0,0|1,0,0]=3 18491 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [1,0,0,1,0,0|1,0,0]=3 18492 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [1,0,0,1,0,0|1,0,0]=3 18493 B12R1.82 CCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747405 [1,0,0,1,0,0|2,0,0]=4 18494 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [1,0,0,1,0,0|2,0,0]=4 18495 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [1,0,0,1,0,0|2,0,0]=4 18496 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [1,0,0,1,0,0|2,0,0]=4 18497 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [1,0,0,1,0,0|1,0,0]=3 18498 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [1,0,0,1,0,0|1,0,0]=3 18499 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [1,0,0,1,0,0|1,0,0]=3 18500 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [1,0,0,1,0,0|1,0,0]=3 18501 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [1,0,0,1,0,0|1,0,0]=3 18502 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [1,0,0,1,0,0|1,0,0]=3 18503 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [1,0,0,1,0,0|2,0,0]=4 18504 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [1,0,0,1,0,0|2,0,0]=4 18505 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [1,0,0,1,0,0|2,0,0]=4 18506 B12R1.82 COC(=O)C[C@H]1CCCN1CF 269982a_100025726698_100015361967 [1,0,0,1,0,0|2,0,0]=4 18507 B12R1.82 COC(=O)C[C@H]1CCCN1CF 34a_100025726698_100015361967 [1,0,0,1,0,0|2,0,0]=4 18508 B12R1.163 CCC(=O)CN1CCC1COC 269982a_100015195929_100000747405 [1,0,0,1,0,0|2,0,0]=4 18509 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [1,0,0,1,0,0|2,0,0]=4 18510 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [1,0,0,1,0,0|2,0,0]=4 18511 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [1,0,0,1,0,0|2,0,0]=4 18512 B12R1.291 CCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000210414 [1,0,0,1,0,0|2,0,0]=4 18513 B12R1.291 CCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000210414 [1,0,0,1,0,0|2,0,0]=4 18514 B12R1.291 CCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000210414 [1,0,0,1,0,0|2,0,0]=4 18515 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [1,0,0,1,0,0|2,0,0]=4 18516 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [1,0,0,1,0,0|2,0,0]=4 18517 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [1,0,0,1,0,0|2,0,0]=4 18518 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [1,0,0,1,0,0|1,0,0]=3 18519 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [1,0,0,1,0,0|1,0,0]=3 18520 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [1,0,0,1,0,0|2,0,0]=4 18521 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [1,0,0,1,0,0|2,0,0]=4 18522 B12R1.291 CCCN1CSCC1C(=O)OC 269982a_200000724679_100000210303 [1,0,0,1,0,0|2,0,0]=4 18523 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [1,0,0,1,0,0|1,0,0]=3 18524 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [1,0,0,1,0,0|1,0,0]=3 18525 B12R1.291 COC(=O)C1CCCC1OCF 34a_200000081814_100015361967 [1,0,0,1,0,0|2,0,0]=4 18526 B12R1.291 COC(=O)C1CCCC1OCF 7a_200000081814_100015361967 [1,0,0,1,0,0|2,0,0]=4 18527 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [1,0,0,1,0,0|2,0,0]=4 18528 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [1,0,0,1,0,0|2,0,0]=4 18529 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [1,0,0,1,0,0|2,0,0]=4 18530 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [1,0,0,1,0,0|2,0,0]=4 18531 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 2230a_100000752040_100011218213 [1,0,0,1,0,0|2,0,0]=4 18532 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 269982a_100000752040_100011218213 [1,0,0,1,0,0|2,0,0]=4 18533 B12R1.291 COCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000766300 [1,0,0,1,0,0|2,0,0]=4 18534 B12R1.291 COCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000766300 [1,0,0,1,0,0|2,0,0]=4 18535 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [1,0,0,1,0,0|1,0,0]=3 18536 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [1,0,0,1,0,0|1,0,0]=3 18537 B12R1.327 CCOCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000739092 [1,0,0,1,0,0|2,0,0]=4 18538 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 2230a_102516456887_100011934791 [1,0,0,1,0,0|2,0,0]=4 18539 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 269982a_102516456887_100011934791 [1,0,0,1,0,0|2,0,0]=4 18540 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 2230a_102516456887_100000230001 [1,0,0,1,0,0|2,0,0]=4 18541 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 269982a_102516456887_100011215043 [1,0,0,1,0,0|2,0,0]=4 18542 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 2230a_102516456887_100000751147 [1,0,0,1,0,0|2,0,0]=4 18543 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 269982a_102516456887_100000212216 [1,0,0,1,0,0|2,0,0]=4 18544 B12R1.327 COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011201679 [1,0,0,1,0,0|2,0,0]=4 18545 B12R1.327 COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000233755 [1,0,0,1,0,0|2,0,0]=4 18546 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [1,0,0,1,0,0|1,0,0]=3 18547 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [1,0,0,1,0,0|1,0,0]=3 18548 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747405_200016002552 [1,0,0,1,0,0|2,0,0]=4 18549 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747405 [1,0,0,1,0,0|2,0,0]=4 18550 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [1,0,0,1,0,0|2,0,0]=4 18551 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [1,0,0,1,0,0|2,0,0]=4 18552 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [1,0,0,1,0,0|2,0,0]=4 18553 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [1,0,0,1,0,0|2,0,0]=4 18554 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [1,0,0,1,0,0|2,0,0]=4 18555 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [1,0,0,1,0,0|2,0,0]=4 18556 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [1,0,0,1,0,0|2,0,0]=4 18557 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [1,0,0,1,0,0|2,0,0]=4 18558 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [1,0,0,1,0,0|2,0,0]=4 18559 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [1,0,0,1,0,0|2,0,0]=4 18560 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [1,0,0,1,0,0|2,0,0]=4 18561 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [1,0,0,1,0,0|1,0,0]=3 18562 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [1,0,0,1,0,0|1,0,0]=3 18563 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [1,0,0,1,0,0|1,0,0]=3 18564 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [1,0,0,1,0,0|1,0,0]=3 18565 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [1,0,0,1,0,0|1,0,0]=3 18566 B12R1.353 COC(=O)CCN1CCSC1C 2230a_200011216479_100000204255 [1,0,0,1,0,0|2,0,0]=4 18567 B12R1.353 COC(=O)CCN1CCSC1C 269982a_200011216479_100000204255 [1,0,0,1,0,0|2,0,0]=4 18568 B12R1.353 COC(=O)CCN1CCSC1C 34a_200011216479_100000742370 [1,0,0,1,0,0|2,0,0]=4 18569 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [1,0,0,1,0,0|1,0,0]=3 18570 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [1,0,0,1,0,0|1,0,0]=3 18571 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [1,0,0,1,0,0|2,0,0]=4 18572 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [1,0,0,1,0,0|2,0,0]=4 18573 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [1,0,0,1,0,0|2,0,0]=4 18574 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [1,0,0,1,0,0|2,0,0]=4 18575 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [1,0,0,1,0,0|2,0,0]=4 18576 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [1,0,0,1,0,0|2,0,0]=4 18577 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [1,0,0,1,0,0|2,0,0]=4 18578 B12R1.355 COC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218270 [1,0,0,1,0,0|2,0,0]=4 18579 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218270 [1,0,0,1,0,0|2,0,0]=4 18580 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000742333 [1,0,0,1,0,0|2,0,0]=4 18581 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [1,0,0,1,0,0|1,0,0]=3 18582 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [1,0,0,1,0,0|1,0,0]=3 18583 B12R1.356 CCC(=O)NCCNC1CCC1 270004a_100132302217_100000241760 [1,0,0,1,0,0|2,0,0]=4 18584 B12R1.356 CCC(=O)NCCNC1CCC1 34a_100132302217_100000749161 [1,0,0,1,0,0|2,0,0]=4 18585 B12R1.356 CCC(=O)NCCOC1CCC1 34a_200000158885_100000749161 [1,0,0,1,0,0|2,0,0]=4 18586 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [1,0,0,1,0,0|2,0,0]=4 18587 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [1,0,0,1,0,0|2,0,0]=4 18588 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [1,0,0,1,0,0|2,0,0]=4 18589 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [1,0,0,1,0,0|2,0,0]=4 18590 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [1,0,0,1,0,0|2,0,0]=4 18591 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [1,0,0,1,0,0|2,0,0]=4 18592 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [1,0,0,1,0,0|2,0,0]=4 18593 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [1,0,0,1,0,0|2,0,0]=4 18594 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [1,0,0,1,0,0|2,0,0]=4 18595 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [1,0,0,1,0,0|2,0,0]=4 18596 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [1,0,0,1,0,0|2,0,0]=4 18597 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [1,0,0,1,0,0|2,0,0]=4 18598 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [1,0,0,1,0,0|2,0,0]=4 18599 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [1,0,0,1,0,0|2,0,0]=4 18600 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [1,0,0,1,0,0|2,0,0]=4 18601 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [1,0,0,1,0,0|1,0,0]=3 18602 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [1,0,0,1,0,0|1,0,0]=3 18603 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [1,0,0,1,0,0|1,0,0]=3 18604 B12R1.356 COC(=O)CCCNC1COC1 2230a_100016991112_100011218270 [1,0,0,1,0,0|2,0,0]=4 18605 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [1,0,0,1,0,0|1,0,0]=3 18606 B12R1.356 COC(=O)CCCOC1CSC1 7a_100000072292_100011218270 [1,0,0,1,0,0|2,0,0]=4 18607 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [1,0,0,1,0,0|1,0,0]=3 18608 B12R1.356 COC(=O)CCCSC1COC1 62a_100011218270_100009818527 [1,0,0,1,0,0|2,0,0]=4 18609 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [1,0,0,1,0,0|1,0,0]=3 18610 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [1,0,0,1,0,0|1,0,0]=3 18611 B12R1.356 COC(=O)CCNCC1COC1 2230a_100015281925_100000204255 [1,0,0,1,0,0|2,0,0]=4 18612 B12R1.356 COC(=O)CCNCC1COC1 34a_100015281925_100000742370 [1,0,0,1,0,0|2,0,0]=4 18613 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000204255 [1,0,0,1,0,0|2,0,0]=4 18614 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000742370 [1,0,0,1,0,0|2,0,0]=4 18615 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [1,0,0,1,0,0|1,0,0]=3 18616 B12R1.356 COC(=O)CCOCC1CCO1 34a_100000039022_100000742370 [1,0,0,1,0,0|2,0,0]=4 18617 B12R1.356 COC(=O)CCOCC1CNC1 34a_100016987283_100000742370 [1,0,0,1,0,0|2,0,0]=4 18618 B12R1.356 COC(=O)CCOCC1COC1 34a_100000060846_100000742370 [1,0,0,1,0,0|2,0,0]=4 18619 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [1,0,0,1,0,0|1,0,0]=3 18620 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [1,0,0,1,0,0|1,0,0]=3 18621 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [1,0,0,1,0,0|2,0,0]=4 18622 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [1,0,0,1,0,0|2,0,0]=4 18623 B12R1.356 COC(=O)CCSCC1COC1 62a_100000204255_100010264016 [1,0,0,1,0,0|2,0,0]=4 18624 B12R1.356 COC(=O)CCSCC1COC1 62a_100010264016_100000204255 [1,0,0,1,0,0|2,0,0]=4 18625 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [1,0,0,1,0,0|2,0,0]=4 18626 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [1,0,0,1,0,0|2,0,0]=4 18627 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [1,0,0,1,0,0|2,0,0]=4 18628 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [1,0,0,1,0,0|2,0,0]=4 18629 B12R1.360 CCC(=O)COCCCC1CO1 34a_100000725409_100000733510 [1,0,0,1,0,0|2,0,0]=4 18630 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000733510_100000747405 [1,0,0,1,0,0|2,0,0]=4 18631 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000747405_100000733510 [1,0,0,1,0,0|2,0,0]=4 18632 B12R1.360 CCC(=O)NCCNCC1CC1 269862a_100132302217_100000741477 [1,0,0,1,0,0|2,0,0]=4 18633 B12R1.360 CCC(=O)NCCNCC1CC1 34a_100132302217_100000742324 [1,0,0,1,0,0|2,0,0]=4 18634 B12R1.360 CCC(=O)NCCOCC1CC1 34a_200000158885_100000742324 [1,0,0,1,0,0|2,0,0]=4 18635 B12R1.360 CCC(=O)NCCOCC1CC1 7a_200000158885_100000742324 [1,0,0,1,0,0|2,0,0]=4 18636 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [1,0,0,1,0,0|2,0,0]=4 18637 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [1,0,0,1,0,0|2,0,0]=4 18638 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [1,0,0,1,0,0|2,0,0]=4 18639 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [1,0,0,1,0,0|2,0,0]=4 18640 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [1,0,0,1,0,0|2,0,0]=4 18641 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [1,0,0,1,0,0|2,0,0]=4 18642 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [1,0,0,1,0,0|2,0,0]=4 18643 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [1,0,0,1,0,0|2,0,0]=4 18644 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [1,0,0,1,0,0|2,0,0]=4 18645 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [1,0,0,1,0,0|2,0,0]=4 18646 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [1,0,0,1,0,0|2,0,0]=4 18647 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [1,0,0,1,0,0|2,0,0]=4 18648 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [1,0,0,1,0,0|2,0,0]=4 18649 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [1,0,0,1,0,0|2,0,0]=4 18650 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [1,0,0,1,0,0|2,0,0]=4 18651 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [1,0,0,1,0,0|2,0,0]=4 18652 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [1,0,0,1,0,0|2,0,0]=4 18653 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [1,0,0,1,0,0|1,0,0]=3 18654 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [1,0,0,1,0,0|1,0,0]=3 18655 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [1,0,0,1,0,0|1,0,0]=3 18656 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [1,0,0,1,0,0|1,0,0]=3 18657 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [1,0,0,1,0,0|1,0,0]=3 18658 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [1,0,0,1,0,0|1,0,0]=3 18659 B12R1.360 COC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000742333 [1,0,0,1,0,0|2,0,0]=4 18660 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [1,0,0,1,0,0|1,0,0]=3 18661 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [1,0,0,1,0,0|1,0,0]=3 18662 B12R1.360 COC(=O)CCCSCC1CO1 62a_100011218270_102125554688 [1,0,0,1,0,0|2,0,0]=4 18663 B12R1.360 COC(=O)CCCSCC1CO1 62a_102125554688_100011218270 [1,0,0,1,0,0|2,0,0]=4 18664 B12R1.360 COC(=O)CCCSCC1CS1 62a_100000031435_100011218270 [1,0,0,1,0,0|2,0,0]=4 18665 B12R1.360 COC(=O)CCCSCC1CS1 62a_100011218270_100000031435 [1,0,0,1,0,0|2,0,0]=4 18666 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011218270 [1,0,0,1,0,0|2,0,0]=4 18667 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100011218270_100000745022 [1,0,0,1,0,0|2,0,0]=4 18668 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [1,0,0,1,0,0|1,0,0]=3 18669 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [1,0,0,1,0,0|1,0,0]=3 18670 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [1,0,0,1,0,0|1,0,0]=3 18671 B12R1.360 COC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000742370 [1,0,0,1,0,0|2,0,0]=4 18672 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [1,0,0,1,0,0|1,0,0]=3 18673 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [1,0,0,1,0,0|1,0,0]=3 18674 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000204255_100000732470 [1,0,0,1,0,0|2,0,0]=4 18675 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000732470_100000204255 [1,0,0,1,0,0|2,0,0]=4 18676 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [1,0,0,1,0,0|2,0,0]=4 18677 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [1,0,0,1,0,0|2,0,0]=4 18678 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [1,0,0,1,0,0|2,0,0]=4 18679 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [1,0,0,1,0,0|2,0,0]=4 18680 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [1,0,0,1,0,0|2,0,0]=4 18681 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [1,0,0,1,0,0|2,0,0]=4 18682 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [1,0,0,1,0,0|2,0,0]=4 18683 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [1,0,0,1,0,0|2,0,0]=4 18684 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [1,0,0,1,0,0|2,0,0]=4 18685 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [1,0,0,1,0,0|2,0,0]=4 18686 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [1,0,0,1,0,0|1,0,0]=3 18687 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [1,0,0,1,0,0|1,0,0]=3 18688 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [1,0,0,1,0,0|1,0,1]=4 18689 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [1,0,0,1,0,0|1,0,0]=3 18690 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [1,0,0,1,0,0|2,0,0]=4 18691 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [1,0,0,1,0,0|2,0,0]=4 18692 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [1,0,0,1,0,0|2,0,0]=4 18693 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [1,0,0,1,0,0|2,0,0]=4 18694 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [1,0,0,1,0,0|2,0,0]=4 18695 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [1,0,0,1,0,0|1,0,0]=3 18696 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [1,0,0,1,0,0|1,0,0]=3 18697 B12R1.371 CCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747405 [1,0,0,1,0,0|2,0,0]=4 18698 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [1,0,0,1,0,0|1,0,0]=3 18699 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [1,0,0,1,0,0|1,0,0]=3 18700 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [1,0,0,1,0,0|1,0,0]=3 18701 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [1,0,0,1,0,0|1,0,0]=3 18702 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [1,0,0,1,0,0|2,0,0]=4 18703 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [1,0,0,1,0,0|2,0,0]=4 18704 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210414 [1,0,0,1,0,0|2,0,0]=4 18705 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210414 [1,0,0,1,0,0|2,0,0]=4 18706 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210414 [1,0,0,1,0,0|2,0,0]=4 18707 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210414 [1,0,0,1,0,0|2,0,0]=4 18708 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [1,0,0,1,0,0|2,0,0]=4 18709 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [1,0,0,1,0,0|2,0,0]=4 18710 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [1,0,0,1,0,0|2,0,0]=4 18711 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [1,0,0,1,0,0|2,0,0]=4 18712 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [1,0,0,1,0,0|2,0,0]=4 18713 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [1,0,0,1,0,0|2,0,0]=4 18714 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [1,0,0,1,0,0|2,0,0]=4 18715 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [1,0,0,1,0,0|2,0,0]=4 18716 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [1,0,0,1,0,0|2,0,0]=4 18717 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [1,0,0,1,0,0|2,0,0]=4 18718 B12R1.371 COC(=O)CC1COCCN1C 2230a_100000731486_200000210301 [1,0,0,1,0,0|2,0,0]=4 18719 B12R1.371 COC(=O)CC1COCCN1C 34a_100000731486_200000210301 [1,0,0,1,0,0|2,0,0]=4 18720 B12R1.371 COC(=O)CC1COCCN1[13CH3] 2230a_100000731486_200025704644 [1,0,0,1,0,0|2,0,0]=4 18721 B12R1.371 COC(=O)CC1COCCN1[13CH3] 34a_100000731486_200025704644 [1,0,0,1,0,0|2,0,0]=4 18722 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [1,0,0,1,0,0|1,0,0]=3 18723 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [1,0,0,1,0,0|1,0,0]=3 18724 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [1,0,0,1,0,0|1,0,0]=3 18725 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [1,0,0,1,0,0|2,0,0]=4 18726 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [1,0,0,1,0,0|2,0,0]=4 18727 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [1,0,0,1,0,0|2,0,0]=4 18728 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [1,0,0,1,0,0|0,0,2]=4 18729 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [1,0,0,1,0,0|0,0,2]=4 18730 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [1,0,0,1,0,0|0,0,0]=2 18731 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [1,0,0,1,0,0|2,0,0]=4 18732 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [1,0,0,1,0,0|1,0,0]=3 18733 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [1,0,0,1,0,0|1,0,0]=3 18734 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [1,0,0,1,0,0|1,0,0]=3 18735 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [1,0,0,1,0,0|1,0,0]=3 18736 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [1,0,0,1,0,0|2,0,0]=4 18737 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [1,0,0,1,0,0|2,0,0]=4 18738 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [1,0,0,1,0,0|2,0,0]=4 18739 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [1,0,0,1,0,0|1,0,0]=3 18740 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [1,0,0,1,0,0|1,0,0]=3 18741 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [1,0,0,1,0,0|2,0,0]=4 18742 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [1,0,0,1,0,0|2,0,0]=4 18743 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [1,0,0,1,0,0|2,0,0]=4 18744 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000702531_100000747405 [1,0,0,1,0,0|2,0,0]=4 18745 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000747405_100000702531 [1,0,0,1,0,0|2,0,0]=4 18746 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [1,0,0,1,0,0|1,0,0]=3 18747 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [1,0,0,1,0,0|1,0,0]=3 18748 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [1,0,0,1,0,0|1,0,0]=3 18749 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [1,0,0,1,0,0|1,0,0]=3 18750 B12R1.477 CCC(=O)NCCN1CCCC1 240690a_100000212299_100000210414 [1,0,0,1,0,0|2,0,0]=4 18751 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [1,0,0,1,0,0|2,0,0]=4 18752 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [1,0,0,1,0,0|2,0,0]=4 18753 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [1,0,0,1,0,0|2,0,0]=4 18754 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [1,0,0,1,0,0|2,0,0]=4 18755 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [1,0,0,1,0,0|2,0,0]=4 18756 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [1,0,0,1,0,0|2,0,0]=4 18757 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [1,0,0,1,0,0|2,0,0]=4 18758 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [1,0,0,1,0,0|2,0,0]=4 18759 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [1,0,0,1,0,0|2,0,0]=4 18760 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [1,0,0,1,0,0|2,0,0]=4 18761 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [1,0,0,1,0,0|2,0,0]=4 18762 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [1,0,0,1,0,0|2,0,0]=4 18763 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [1,0,0,1,0,0|2,0,0]=4 18764 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [1,0,0,1,0,0|2,0,0]=4 18765 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [1,0,0,1,0,0|2,0,0]=4 18766 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [1,0,0,1,0,0|2,0,0]=4 18767 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [1,0,0,1,0,0|2,0,0]=4 18768 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [1,0,0,1,0,0|2,0,0]=4 18769 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [1,0,0,1,0,0|2,0,0]=4 18770 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [1,0,0,1,0,0|2,0,0]=4 18771 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [1,0,0,1,0,0|2,0,0]=4 18772 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [1,0,0,1,0,0|2,0,0]=4 18773 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [1,0,0,1,0,0|2,0,0]=4 18774 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [1,0,0,1,0,0|2,0,0]=4 18775 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [1,0,0,1,0,0|2,0,0]=4 18776 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [1,0,0,1,0,0|2,0,0]=4 18777 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [1,0,0,1,0,0|2,0,0]=4 18778 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [1,0,0,1,0,0|2,0,0]=4 18779 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [1,0,0,1,0,0|2,0,0]=4 18780 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [1,0,0,1,0,0|2,0,0]=4 18781 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [1,0,0,1,0,0|2,0,0]=4 18782 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [1,0,0,1,0,0|2,0,0]=4 18783 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [1,0,0,1,0,0|2,0,0]=4 18784 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [1,0,0,1,0,0|1,0,0]=3 18785 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [1,0,0,1,0,0|1,0,0]=3 18786 B12R1.477 COC(=O)CCCN1CCSC1 2230a_100011215254_100011218270 [1,0,0,1,0,0|2,0,0]=4 18787 B12R1.477 COC(=O)CCCN1CCSC1 269982a_100011215254_100011218270 [1,0,0,1,0,0|2,0,0]=4 18788 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [1,0,0,1,0,0|1,0,0]=3 18789 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [1,0,0,1,0,0|1,0,0]=3 18790 B12R1.477 COC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000204255 [1,0,0,1,0,0|2,0,0]=4 18791 B12R1.477 COC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000204255 [1,0,0,1,0,0|2,0,0]=4 18792 B12R1.477 COC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000742370 [1,0,0,1,0,0|2,0,0]=4 18793 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [1,0,0,1,0,0|1,0,0]=3 18794 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [1,0,0,1,0,0|1,0,0]=3 18795 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [1,0,0,1,0,0|2,0,0]=4 18796 B12R1.477 COC(=O)CCOC1CCSC1 7a_100011232664_100000204255 [1,0,0,1,0,0|2,0,0]=4 18797 B12R1.477 COC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000742370 [1,0,0,1,0,0|2,0,0]=4 18798 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [1,0,0,1,0,0|1,0,0]=3 18799 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [1,0,0,1,0,0|1,0,0]=3 18800 B12R1.477 COC(=O)CCSC1CCOC1 62a_100000204255_100000690089 [1,0,0,1,0,0|2,0,0]=4 18801 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [1,0,0,1,0,0|1,0,0]=3 18802 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [1,0,0,1,0,0|1,0,0]=3 18803 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [1,0,0,1,0,0|2,0,0]=4 18804 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [1,0,0,1,0,0|2,0,0]=4 18805 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [1,0,0,1,0,0|2,0,0]=4 18806 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [1,0,0,1,0,0|2,0,0]=4 18807 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [1,0,0,1,0,0|1,0,0]=3 18808 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [1,0,0,1,0,0|1,0,0]=3 18809 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [1,0,0,1,0,0|2,0,0]=4 18810 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [1,0,0,1,0,0|2,0,0]=4 18811 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [1,0,0,1,0,0|2,0,0]=4 18812 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [1,0,0,1,0,0|2,0,0]=4 18813 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [1,0,0,1,0,0|2,0,0]=4 18814 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [1,0,0,1,0,0|1,0,0]=3 18815 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [1,0,0,1,0,0|1,0,0]=3 18816 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [1,0,0,1,0,0|2,0,0]=4 18817 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [1,0,0,1,0,0|2,0,0]=4 18818 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [1,0,0,1,0,0|2,0,0]=4 18819 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [1,0,0,1,0,0|2,0,0]=4 18820 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [1,0,0,1,0,0|2,0,0]=4 18821 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [1,0,0,1,0,0|2,0,0]=4 18822 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [1,0,0,1,0,0|1,0,0]=3 18823 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [1,0,0,1,0,0|2,0,0]=4 18824 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [1,0,0,1,0,0|2,0,0]=4 18825 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [1,0,0,1,0,0|2,0,0]=4 18826 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [1,0,0,1,0,0|1,0,0]=3 18827 B12R1.1412 CCOCCN1CC1C(=O)OC 2230a_200009830135_100011215890 [1,0,0,1,0,0|2,0,0]=4 18828 B12R1.1412 CCSCCN1CC1C(=O)OC 2230a_200009830135_100000757381 [1,0,0,1,0,0|2,0,0]=4 18829 B12R1.1412 COC(=O)C1CN1CCCCF 2230a_200009830135_100000729493 [1,0,0,1,0,0|2,0,0]=4 18830 B12R1.1412 COC(=O)C1CN1CCCCO 2230a_200009830135_100000210776 [1,0,0,1,0,0|2,0,0]=4 18831 B12R1.1412 COCCCN1CC1C(=O)OC 2230a_200009830135_100000740836 [1,0,0,1,0,0|2,0,0]=4 18832 B12R1.1659 CCC(=O)C1CC/C=C\CCC1 1458a_100000210414_100021000466 [1,0,0,1,0,0|0,0,2]=4 18833 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [1,0,0,1,0,0|1,0,0]=3 18834 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [1,0,0,1,0,0|1,0,0]=3 18835 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [1,0,0,1,0,0|1,0,0]=3 18836 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [1,0,0,1,0,0|1,0,0]=3 18837 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [1,0,0,1,0,0|2,0,0]=4 18838 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [1,0,0,1,0,0|2,0,0]=4 18839 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [1,0,0,1,0,0|2,0,0]=4 18840 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [1,0,0,1,0,0|2,0,0]=4 18841 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [1,0,0,1,0,0|0,0,2]=4 18842 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [1,0,0,1,0,0|0,0,2]=4 18843 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [1,0,0,1,0,0|0,0,2]=4 18844 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [1,0,0,1,0,0|0,0,0]=2 18845 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [1,0,0,1,0,0|0,0,0]=2 18846 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [1,0,0,1,0,0|1,0,0]=3 18847 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [1,0,0,1,0,0|1,0,0]=3 18848 B12R1.1748 CCC(=O)CN1CCCOCC1 269982a_100000685342_100000747405 [1,0,0,1,0,0|2,0,0]=4 18849 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [1,0,0,1,0,0|1,0,0]=3 18850 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [1,0,0,1,0,0|1,0,0]=3 18851 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [1,0,0,1,0,0|1,0,0]=3 18852 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [1,0,0,1,0,0|1,0,0]=3 18853 B12R1.1748 CCN(C)CC1CCCCCC1 2230a_100000225621_200000696569 [1,0,0,1,0,0|2,0,0]=4 18854 B12R1.1748 CCN(C)CC1CCCCCC1 269982a_100000225621_200000696569 [1,0,0,1,0,0|2,0,0]=4 18855 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [1,0,0,1,0,0|1,0,0]=3 18856 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [1,0,0,1,0,0|1,0,0]=3 18857 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [1,0,0,1,0,0|1,0,0]=3 18858 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [1,0,0,1,0,0|1,0,0]=3 18859 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [1,0,0,1,0,0|2,0,0]=4 18860 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [1,0,0,1,0,0|2,0,0]=4 18861 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [1,0,0,1,0,0|2,0,0]=4 18862 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [1,0,0,1,0,0|2,0,0]=4 18863 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [1,0,0,1,0,0|2,0,0]=4 18864 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [1,0,0,1,0,0|2,0,0]=4 18865 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [1,0,0,1,0,0|2,0,0]=4 18866 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [1,0,0,1,0,0|2,0,0]=4 18867 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [1,0,0,1,0,0|2,0,0]=4 18868 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [1,0,0,1,0,0|2,0,0]=4 18869 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [1,0,0,1,0,0|2,0,0]=4 18870 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [1,0,0,1,0,0|1,0,0]=3 18871 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [1,0,0,1,0,0|1,0,0]=3 18872 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [1,0,0,1,0,0|1,0,0]=3 18873 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [1,0,0,1,0,0|2,0,0]=4 18874 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [1,0,0,1,0,0|2,0,0]=4 18875 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [1,0,0,1,0,0|2,0,0]=4 18876 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [1,0,0,1,0,0|1,0,0]=3 18877 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [1,0,0,1,0,0|2,0,0]=4 18878 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [1,0,0,1,0,0|1,0,0]=3 18879 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [1,0,0,1,0,0|2,0,0]=4 18880 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [1,0,0,1,0,0|2,0,0]=4 18881 B14R1.26 C#CCCCCCN1CCOC(=O)C1 2230a_100000131268_100012094781 [0,1,0,1,0,0|0,0,2]=4 18882 B14R1.26 C=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000700193 [0,1,0,1,0,0|0,0,2]=4 18883 B14R1.26 CCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210681 [0,1,0,1,0,0|2,0,0]=4 18884 B14R1.26 CCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210681 [0,1,0,1,0,0|2,0,0]=4 18885 B14R1.26 CCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210614 [0,1,0,1,0,0|2,0,0]=4 18886 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,1,0,1,0,0|1,0,0]=3 18887 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,1,0,1,0,0|0,0,0]=2 18888 B14R1.26 CCCCCCCN1CCOC(C1)C 2230a_100000729577_100000210681 [0,1,0,1,0,0|1,0,1]=4 18889 B14R1.26 CCCCCCCN1CCOC(C1)C 269982a_100000729577_100000210681 [0,1,0,1,0,0|1,0,1]=4 18890 B14R1.26 CCCCCCCN1CCOC(C1)C 34a_100000729577_100000210614 [0,1,0,1,0,0|1,0,1]=4 18891 B14R1.26 CCCCCCCN1CCOC(C1)O 2230a_100000688207_100000210681 [0,1,0,1,0,0|0,0,2]=4 18892 B14R1.26 CCCCCCCN1CCOC(C1)O 269982a_100000688207_100000210681 [0,1,0,1,0,0|0,0,2]=4 18893 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,1,0,1,0,0|1,0,0]=3 18894 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,1,0,1,0,0|1,0,0]=3 18895 B14R1.26 CCCCCCNC1CCOC(C1)C 270004a_100000210581_100000755752 [0,1,0,1,0,0|1,0,1]=4 18896 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,1,0,1,0,0|1,0,0]=3 18897 B14R1.26 CCCCCCOC1CCOC(C1)C 34a_100011986385_100000210314 [0,1,0,1,0,0|1,0,1]=4 18898 B14R1.26 CCCCCCOC1CCOC(C1)C 7a_100011986385_100000210314 [0,1,0,1,0,0|1,0,1]=4 18899 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,1,0,1,0,0|1,0,0]=3 18900 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,1,0,1,0,0|2,0,0]=4 18901 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,1,0,1,0,0|1,0,0]=3 18902 B14R1.26 CCCCOCCN1CCNC(=O)C1 2230a_100000184651_100000743108 [0,1,0,1,0,0|2,0,0]=4 18903 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,1,0,1,0,0|1,0,0]=3 18904 B14R1.26 CCCCOCNC1CCNC(=O)C1 2230a_100016994916_100011995733 [0,1,0,1,0,0|2,0,0]=4 18905 B14R1.26 CCCCOCNC1CCNC(=O)C1 34a_100016994916_100011995733 [0,1,0,1,0,0|2,0,0]=4 18906 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,1,0,1,0,0|2,0,0]=4 18907 B14R1.26 CCCCOCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011995733 [0,1,0,1,0,0|2,0,0]=4 18908 B14R1.26 CCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210303 [0,1,0,1,0,0|2,0,0]=4 18909 B14R1.26 CCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215938 [0,1,0,1,0,0|2,0,0]=4 18910 B14R1.26 CCCOCCNC1CCNC(=O)C1 34a_100016994916_100011215938 [0,1,0,1,0,0|2,0,0]=4 18911 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,1,0,1,0,0|2,0,0]=4 18912 B14R1.26 CCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215938 [0,1,0,1,0,0|2,0,0]=4 18913 B14R1.26 CCOCCCNC1CCNC(=O)C1 2230a_100016994916_100012232248 [0,1,0,1,0,0|2,0,0]=4 18914 B14R1.26 CCOCCCNC1CCNC(=O)C1 34a_100016994916_100012232248 [0,1,0,1,0,0|2,0,0]=4 18915 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,1,0,1,0,0|2,0,0]=4 18916 B14R1.26 CCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012232248 [0,1,0,1,0,0|2,0,0]=4 18917 B14R1.26 CCOCCOCC1CCNC(=O)C1 34a_100009886756_100000210147 [0,1,0,1,0,0|2,0,0]=4 18918 B14R1.26 CCSCCOCC1CCNC(=O)C1 34a_100009886756_100000757381 [0,1,0,1,0,0|2,0,0]=4 18919 B14R1.26 COCCCCNC1CCNC(=O)C1 2230a_100016994916_100000730899 [0,1,0,1,0,0|2,0,0]=4 18920 B14R1.26 COCCCCNC1CCNC(=O)C1 34a_100016994916_100000755781 [0,1,0,1,0,0|2,0,0]=4 18921 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,1,0,1,0,0|2,0,0]=4 18922 B14R1.26 COCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000755781 [0,1,0,1,0,0|2,0,0]=4 18923 B14R1.26 COCCCOCC1CCNC(=O)C1 34a_100009886756_100000740836 [0,1,0,1,0,0|2,0,0]=4 18924 B14R1.26 COCCOCCN1CCOC(=O)C1 2230a_100000131268_100000695917 [0,1,0,1,0,0|2,0,0]=4 18925 B14R1.26 N#CCCCCCN1CCOC(=O)C1 2230a_100000131268_100009813376 [0,1,0,1,0,0|1,0,1]=4 18926 B14R1.26 O=C1CC(CCN1)COCCCCF 34a_100009886756_100000729493 [0,1,0,1,0,0|2,0,0]=4 18927 B14R1.26 O=C1CC(CCN1)COCCCCO 34a_100009886756_100011216708 [0,1,0,1,0,0|2,0,0]=4 18928 B14R1.26 O=C1CC(CCN1)NCCCCCF 2230a_100016994916_100000729378 [0,1,0,1,0,0|2,0,0]=4 18929 B14R1.26 O=C1CC(CCN1)NCCCCCF 34a_100016994916_100000729378 [0,1,0,1,0,0|2,0,0]=4 18930 B14R1.26 O=C1CC(CCN1)NCCCCCO 2230a_100016994916_100000746330 [0,1,0,1,0,0|2,0,0]=4 18931 B14R1.26 O=C1CC(CCN1)NCCCCCO 34a_100016994916_100000746330 [0,1,0,1,0,0|2,0,0]=4 18932 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,1,0,1,0,0|2,0,0]=4 18933 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,1,0,1,0,0|2,0,0]=4 18934 B14R1.26 O=C1CN(CCN1)CCCCCCF 2230a_100000184651_100015922095 [0,1,0,1,0,0|2,0,0]=4 18935 B14R1.26 O=C1CN(CCN1)CCCCCCO 2230a_100000184651_100000766143 [0,1,0,1,0,0|2,0,0]=4 18936 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,1,0,1,0,0|1,0,0]=3 18937 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,1,0,1,0,0|1,0,0]=3 18938 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCF 34a_100015189427_100000729378 [0,1,0,1,0,0|2,0,0]=4 18939 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCO 34a_100015189427_100000746330 [0,1,0,1,0,0|2,0,0]=4 18940 B14R1.26 O=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000139337 [0,1,0,1,0,0|1,0,1]=4 18941 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [0,1,0,1,0,0|1,0,1]=4 18942 B14R1.40 CCCCCCCNCC1CCCO1 2230a_100000229938_100000203698 [0,1,0,1,0,0|1,0,1]=4 18943 B14R1.40 CCCCCCCNCC1OCCO1 2230a_100000036311_100000210681 [0,1,0,1,0,0|0,0,2]=4 18944 B14R1.40 CCCCCCCNCC1OCCO1 2230a_100000229938_100000755774 [0,1,0,1,0,0|0,0,2]=4 18945 B14R1.40 CCCCCCCNCC1OCCO1 34a_100000036311_100000210614 [0,1,0,1,0,0|0,0,2]=4 18946 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210681 [0,1,0,1,0,0|1,0,1]=4 18947 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210614 [0,1,0,1,0,0|1,0,1]=4 18948 B14R1.40 CCCCCCCOCC1=NCCN1 34a_100000210272_100000737910 [0,1,0,1,0,0|2,0,0]=4 18949 B14R1.40 CCCCCCCOCC1=NCCN1 7a_100000210272_100000737910 [0,1,0,1,0,0|2,0,0]=4 18950 B14R1.40 CCCCCCCOCC1CCCO1 34a_100000210270_100000210614 [0,1,0,1,0,0|1,0,1]=4 18951 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210270_100000210614 [0,1,0,1,0,0|1,0,1]=4 18952 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210272_100000203698 [0,1,0,1,0,0|1,0,1]=4 18953 B14R1.40 CCCCCCCOCC1OCCO1 34a_100000087154_100000210614 [0,1,0,1,0,0|0,0,2]=4 18954 B14R1.40 CCCCCCCOCC1OCCO1 34a_100000210272_100000755774 [0,1,0,1,0,0|0,0,2]=4 18955 B14R1.40 CCCCCCCOCC1OCCO1 7a_100000210272_100000755774 [0,1,0,1,0,0|0,0,2]=4 18956 B14R1.40 CCCCCCCSCC1=NCCN1 62a_100000210614_100000737910 [0,1,0,1,0,0|2,0,0]=4 18957 B14R1.40 CCCCCCCSCC1=NCCN1 62a_100000737910_100000210316 [0,1,0,1,0,0|2,0,0]=4 18958 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000203698_100000210316 [0,1,0,1,0,0|1,0,1]=4 18959 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000210614_100000203698 [0,1,0,1,0,0|1,0,1]=4 18960 B14R1.40 CCCCCCCSCC1OCCO1 62a_100000210614_100000755774 [0,1,0,1,0,0|0,0,2]=4 18961 B14R1.40 CCCCCCCSCC1OCCO1 62a_100000755774_100000210316 [0,1,0,1,0,0|0,0,2]=4 18962 B14R1.40 CCCCCCNCCC1OCCO1 2230a_100000034215_100000210314 [0,1,0,1,0,0|0,0,2]=4 18963 B14R1.40 CCCCCCNCCC1OCCO1 2230a_100000210581_100000740749 [0,1,0,1,0,0|0,0,2]=4 18964 B14R1.40 CCCCCCNCCC1OCCO1 34a_100000034215_100000210314 [0,1,0,1,0,0|0,0,2]=4 18965 B14R1.40 CCCCCCOCCC1OCCO1 34a_100000210259_100000740749 [0,1,0,1,0,0|0,0,2]=4 18966 B14R1.40 CCCCCCOCCC1OCCO1 7a_100000210259_100000740749 [0,1,0,1,0,0|0,0,2]=4 18967 B14R1.40 CCCCCCSCCC1OCCO1 62a_100000210314_100000740749 [0,1,0,1,0,0|0,0,2]=4 18968 B14R1.40 CCCCCNCCCC1OCCO1 2230a_100000209983_100000042513 [0,1,0,1,0,0|0,0,2]=4 18969 B14R1.40 CCCCCOCCCC1OCCO1 34a_100000210253_100009861162 [0,1,0,1,0,0|0,0,2]=4 18970 B14R1.40 CCCCCOCCCC1OCCO1 34a_100009871617_100000718602 [0,1,0,1,0,0|0,0,2]=4 18971 B14R1.40 CCCCCOCCCC1OCCO1 7a_100000210253_100000042513 [0,1,0,1,0,0|0,0,2]=4 18972 B14R1.40 CCCCCOCCCC1OCCO1 7a_100009871617_100000210326 [0,1,0,1,0,0|0,0,2]=4 18973 B14R1.40 CCCCCSCCCC1OCCO1 62a_100000210326_100000042513 [0,1,0,1,0,0|0,0,2]=4 18974 B14R1.40 CCCCNCCCCC1OCCO1 2230a_100000102301_100000034956 [0,1,0,1,0,0|0,0,2]=4 18975 B14R1.40 CCCCNCCCCC1OCCO1 7a_106832991798_100000034956 [0,1,0,1,0,0|0,0,2]=4 18976 B14R1.40 CCCCOCCCCC1OCCO1 34a_100000210227_200009813554 [0,1,0,1,0,0|0,0,2]=4 18977 B14R1.40 CCCCOCCCCC1OCCO1 7a_100000210227_100000034956 [0,1,0,1,0,0|0,0,2]=4 18978 B14R1.40 CCCCSCCCCC1OCCO1 62a_100000210211_100000034956 [0,1,0,1,0,0|0,0,2]=4 18979 B14R1.216 C#CCCCCCOC1CCOC1=O 34a_100000766912_100000211211 [0,1,0,1,0,0|0,0,2]=4 18980 B14R1.216 C#CCCCCCOC1CCOC1=O 7a_100000766912_100000211211 [0,1,0,1,0,0|0,0,2]=4 18981 B14R1.216 C#CCCCCCSC1CCOC1=O 62a_100000211211_100012094781 [0,1,0,1,0,0|0,0,2]=4 18982 B14R1.216 C#CCCCCCSC1CCOC1=O 62a_100012094781_100000211211 [0,1,0,1,0,0|0,0,2]=4 18983 B14R1.216 C=CCCCCCOC1CCOC1=O 34a_100011216702_100000211211 [0,1,0,1,0,0|0,0,2]=4 18984 B14R1.216 C=CCCCCCOC1CCOC1=O 7a_100011216702_100000211211 [0,1,0,1,0,0|0,0,2]=4 18985 B14R1.216 C=CCCCCCSC1CCOC1=O 62a_100000211211_100000700193 [0,1,0,1,0,0|0,0,2]=4 18986 B14R1.216 C=CCCCCCSC1CCOC1=O 62a_100000700193_100000211211 [0,1,0,1,0,0|0,0,2]=4 18987 B14R1.216 CC/C=C/CCCOC1CCOC1=O 34a_100016287902_100000211211 [0,1,0,1,0,0|0,0,2]=4 18988 B14R1.216 CC/C=C/CCCOC1CCOC1=O 7a_100016287902_100000211211 [0,1,0,1,0,0|0,0,2]=4 18989 B14R1.216 CCCC#CCCOC1CCOC1=O 34a_100000042726_100000211211 [0,1,0,1,0,0|0,0,2]=4 18990 B14R1.216 CCCC#CCCOC1CCOC1=O 7a_100000042726_100000211211 [0,1,0,1,0,0|0,0,2]=4 18991 B14R1.216 CCCC/C=C/COC1CCOC1=O 34a_200016272032_100000211211 [0,1,0,1,0,0|0,0,2]=4 18992 B14R1.216 CCCC/C=C/COC1CCOC1=O 7a_200016272032_100000211211 [0,1,0,1,0,0|0,0,2]=4 18993 B14R1.216 CCCCC#CCOC1CCOC1=O 34a_200000034558_100000211211 [0,1,0,1,0,0|0,0,2]=4 18994 B14R1.216 CCCCC#CCOC1CCOC1=O 7a_200000034558_100000211211 [0,1,0,1,0,0|0,0,2]=4 18995 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,1,0,1,0,0|1,0,0]=3 18996 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,1,0,1,0,0|1,0,0]=3 18997 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,1,0,1,0,0|1,0,0]=3 18998 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,1,0,1,0,0|0,0,0]=2 18999 B14R1.216 CCCCCCCNC1CCOC1C 270004a_100000229938_100000691750 [0,1,0,1,0,0|1,0,1]=4 19000 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210681 [0,1,0,1,0,0|2,0,0]=4 19001 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210614 [0,1,0,1,0,0|2,0,0]=4 19002 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,1,0,1,0,0|1,0,0]=3 19003 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,1,0,1,0,0|1,0,0]=3 19004 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,1,0,1,0,0|1,0,0]=3 19005 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,1,0,1,0,0|0,0,0]=2 19006 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,1,0,1,0,0|0,0,0]=2 19007 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,1,0,1,0,0|1,0,0]=3 19008 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,1,0,1,0,0|1,0,0]=3 19009 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,1,0,1,0,0|1,0,0]=3 19010 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,1,0,1,0,0|0,0,0]=2 19011 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,1,0,1,0,0|0,0,0]=2 19012 B14R1.216 CCCCCCOCC1=CCCC1=O 34a_100000087531_100000210314 [0,1,0,1,0,0|2,0,0]=4 19013 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,1,0,1,0,0|1,0,0]=3 19014 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,1,0,1,0,0|2,0,0]=4 19015 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,1,0,1,0,0|2,0,0]=4 19016 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,1,0,1,0,0|2,0,0]=4 19017 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,1,0,1,0,0|2,0,0]=4 19018 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,1,0,1,0,0|2,0,0]=4 19019 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,1,0,1,0,0|2,0,0]=4 19020 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,1,0,1,0,0|2,0,0]=4 19021 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,1,0,1,0,0|2,0,0]=4 19022 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,1,0,1,0,0|2,0,0]=4 19023 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,1,0,1,0,0|2,0,0]=4 19024 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,1,0,1,0,0|2,0,0]=4 19025 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,1,0,1,0,0|2,0,0]=4 19026 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,1,0,1,0,0|2,0,0]=4 19027 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,1,0,1,0,0|2,0,0]=4 19028 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,1,0,1,0,0|2,0,0]=4 19029 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,1,0,1,0,0|2,0,0]=4 19030 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,1,0,1,0,0|2,0,0]=4 19031 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,1,0,1,0,0|2,0,0]=4 19032 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,1,0,1,0,0|2,0,0]=4 19033 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,1,0,1,0,0|2,0,0]=4 19034 B14R1.216 CCCCOCCNC1CCNC1=O 2230a_100016995588_100000743108 [0,1,0,1,0,0|2,0,0]=4 19035 B14R1.216 CCCCOCCNC1CCNC1=O 34a_100016995588_100000743108 [0,1,0,1,0,0|2,0,0]=4 19036 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,1,0,1,0,0|2,0,0]=4 19037 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,1,0,1,0,0|2,0,0]=4 19038 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,1,0,1,0,0|2,0,0]=4 19039 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,1,0,1,0,0|1,0,0]=3 19040 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,1,0,1,0,0|1,0,0]=3 19041 B14R1.216 CCCCOCCO[C@H]1CCNC1=O 34a_100000688343_100000743108 [0,1,0,1,0,0|2,0,0]=4 19042 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,1,0,1,0,0|2,0,0]=4 19043 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,1,0,1,0,0|2,0,0]=4 19044 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,1,0,1,0,0|1,0,0]=3 19045 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,1,0,1,0,0|1,0,0]=3 19046 B14R1.216 CCCCOCOCC1CCNC1=O 34a_100000133458_100011995733 [0,1,0,1,0,0|2,0,0]=4 19047 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,1,0,1,0,0|2,0,0]=4 19048 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,1,0,1,0,0|1,0,0]=3 19049 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,1,0,1,0,0|2,0,0]=4 19050 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,1,0,1,0,0|2,0,0]=4 19051 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,1,0,1,0,0|1,0,0]=3 19052 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,1,0,1,0,0|1,0,0]=3 19053 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,1,0,1,0,0|2,0,0]=4 19054 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,1,0,1,0,0|2,0,0]=4 19055 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,1,0,1,0,0|1,0,0]=3 19056 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,1,0,1,0,0|1,0,0]=3 19057 B14R1.216 CCCOCCOCC1CCNC1=O 34a_100000133458_100011215938 [0,1,0,1,0,0|2,0,0]=4 19058 B14R1.216 CCOCCCOCC1CCNC1=O 34a_100000133458_100012232248 [0,1,0,1,0,0|2,0,0]=4 19059 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,1,0,1,0,0|2,0,0]=4 19060 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,1,0,1,0,0|1,0,0]=3 19061 B14R1.216 CNCCOCCOC1CCOC1=O 34a_100000228057_100000211211 [0,1,0,1,0,0|2,0,0]=4 19062 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,1,0,1,0,0|2,0,0]=4 19063 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,1,0,1,0,0|2,0,0]=4 19064 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,1,0,1,0,0|1,0,0]=3 19065 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,1,0,1,0,0|1,0,0]=3 19066 B14R1.216 COCCCCOCC1CCNC1=O 34a_100000133458_100000755781 [0,1,0,1,0,0|2,0,0]=4 19067 B14R1.216 COCCOCCNC1CCOC1=O 2230a_100000745349_100000211211 [0,1,0,1,0,0|2,0,0]=4 19068 B14R1.216 COCCOCCNC1CCOC1=O 34a_100000745349_100000211211 [0,1,0,1,0,0|2,0,0]=4 19069 B14R1.216 COCCOCCOC1CCOC1=O 34a_100011215163_100000211211 [0,1,0,1,0,0|2,0,0]=4 19070 B14R1.216 COCCOCCOC1CCOC1=O 7a_100011215163_100000211211 [0,1,0,1,0,0|2,0,0]=4 19071 B14R1.216 COCCOCCSC1CCOC1=O 62a_100000211211_100000695917 [0,1,0,1,0,0|2,0,0]=4 19072 B14R1.216 COCCOCCSC1CCOC1=O 62a_100000695917_100000211211 [0,1,0,1,0,0|2,0,0]=4 19073 B14R1.216 N#CCCCCCSC1CCOC1=O 62a_100000211211_100009813376 [0,1,0,1,0,0|1,0,1]=4 19074 B14R1.216 N#CCCCCCSC1CCOC1=O 62a_100009813376_100000211211 [0,1,0,1,0,0|1,0,1]=4 19075 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,1,0,1,0,0|2,0,0]=4 19076 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,1,0,1,0,0|1,0,0]=3 19077 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,1,0,1,0,0|2,0,0]=4 19078 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,1,0,1,0,0|2,0,0]=4 19079 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,1,0,1,0,0|2,0,0]=4 19080 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,1,0,1,0,0|2,0,0]=4 19081 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,1,0,1,0,0|2,0,0]=4 19082 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,1,0,1,0,0|2,0,0]=4 19083 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,1,0,1,0,0|2,0,0]=4 19084 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,1,0,1,0,0|2,0,0]=4 19085 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,1,0,1,0,0|2,0,0]=4 19086 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,1,0,1,0,0|2,0,0]=4 19087 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,1,0,1,0,0|2,0,0]=4 19088 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,1,0,1,0,0|2,0,0]=4 19089 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,1,0,1,0,0|2,0,0]=4 19090 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,1,0,1,0,0|2,0,0]=4 19091 B14R1.216 O=C1NCCC1COCCCCCF 34a_100000133458_100000729378 [0,1,0,1,0,0|2,0,0]=4 19092 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [0,1,0,1,0,0|2,0,0]=4 19093 B14R1.216 O=C1NCCC1NCCCCCCF 2230a_100016995588_100015922095 [0,1,0,1,0,0|2,0,0]=4 19094 B14R1.216 O=C1NCCC1NCCCCCCF 34a_100016995588_100015922095 [0,1,0,1,0,0|2,0,0]=4 19095 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [0,1,0,1,0,0|2,0,0]=4 19096 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [0,1,0,1,0,0|2,0,0]=4 19097 B14R1.216 O=C1NCC[C@@H]1OCCCCCCF 34a_100000688343_100015922095 [0,1,0,1,0,0|2,0,0]=4 19098 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [0,1,0,1,0,0|2,0,0]=4 19099 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,1,0,1,0,0|1,0,0]=3 19100 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,1,0,1,0,0|1,0,0]=3 19101 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,1,0,1,0,0|1,0,0]=3 19102 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,1,0,1,0,0|1,0,0]=3 19103 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,1,0,1,0,0|1,0,0]=3 19104 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,1,0,1,0,0|1,0,0]=3 19105 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,1,0,1,0,0|1,0,0]=3 19106 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,1,0,1,0,0|1,0,0]=3 19107 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,1,0,1,0,0|1,0,0]=3 19108 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,1,0,1,0,0|1,0,0]=3 19109 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,1,0,1,0,0|1,0,0]=3 19110 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,1,0,1,0,0|1,0,0]=3 19111 B14R1.216 O=CCCCCCSC1CCOC1=O 62a_100000139337_100000211211 [0,1,0,1,0,0|1,0,1]=4 19112 B14R1.216 O=CCCCCCSC1CCOC1=O 62a_100000211211_100000139337 [0,1,0,1,0,0|1,0,1]=4 19113 B14R1.219 CCCCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210314 [0,1,0,1,0,0|1,0,1]=4 19114 B14R1.219 CCCCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210757 [0,1,0,1,0,0|1,0,1]=4 19115 B14R1.219 CCCCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210314 [0,1,0,1,0,0|1,0,1]=4 19116 B14R1.257 CCNC(=O)CCN1CCC1COC 2230a_100015195929_100000737597 [0,1,0,1,0,0|2,0,0]=4 19117 B14R1.257 CCNC(=O)CCN1CCC1COC 269982a_100015195929_100000737597 [0,1,0,1,0,0|2,0,0]=4 19118 B14R1.257 CCOC(=O)CCN1CCC1COC 2230a_100015195929_100011206558 [0,1,0,1,0,0|1,0,0]=3 19119 B14R1.257 CCOC(=O)CCN1CCC1COC 269982a_100015195929_100011206558 [0,1,0,1,0,0|1,0,0]=3 19120 B14R1.257 CCOC(=O)CCN1CCC1COC 34a_100015195929_100000765890 [0,1,0,1,0,0|1,0,0]=3 19121 B14R1.263 C#CCN1CCCCC1C(=O)OCC 2230a_100016990872_100000038162 [0,1,0,1,0,0|0,0,2]=4 19122 B14R1.263 C=CCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210623 [0,1,0,1,0,0|0,0,2]=4 19123 B14R1.263 C=CCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210623 [0,1,0,1,0,0|0,0,2]=4 19124 B14R1.263 CC=CC(=O)N1CCCCC1CCC 11a_100000701414_100000210699 [0,1,0,1,0,0|1,0,1]=4 19125 B14R1.263 CC=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000210699 [0,1,0,1,0,0|1,0,1]=4 19126 B14R1.263 CC=CC(=O)N1CCCCC1CCC 240690a_100000701414_100000210699 [0,1,0,1,0,0|1,0,1]=4 19127 B14R1.263 CCCC(=O)C1CCCCN1CCC 1458a_100000743559_100000210303 [0,1,0,1,0,0|1,0,0]=3 19128 B14R1.263 CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000211992 [0,1,0,1,0,0|1,0,0]=3 19129 B14R1.263 CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000211992 [0,1,0,1,0,0|1,0,0]=3 19130 B14R1.263 CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000211992 [0,1,0,1,0,0|1,0,0]=3 19131 B14R1.263 CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000211992 [0,1,0,1,0,0|1,0,0]=3 19132 B14R1.263 CCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000211992 [0,1,0,1,0,0|2,0,0]=4 19133 B14R1.263 CCCC(=O)N1CCCCC1COC 11a_100015184032_100000211992 [0,1,0,1,0,0|2,0,0]=4 19134 B14R1.263 CCCC(=O)N1CCCCC1COC 1626a_100015184032_100000211992 [0,1,0,1,0,0|2,0,0]=4 19135 B14R1.263 CCCC(=O)N1CCCCC1COC 240690a_100015184032_100000211992 [0,1,0,1,0,0|2,0,0]=4 19136 B14R1.263 CCCC(=O)N1CCCCC1COC 527a_100015184032_100000211992 [0,1,0,1,0,0|2,0,0]=4 19137 B14R1.263 CCCC(=O)N1CCOCC1CCC 11a_102495339903_100000211992 [0,1,0,1,0,0|2,0,0]=4 19138 B14R1.263 CCCC(=O)N1CCOCC1CCC 1626a_102495339903_100000211992 [0,1,0,1,0,0|2,0,0]=4 19139 B14R1.263 CCCC(=O)N1CCOCC1CCC 240690a_102495339903_100000211992 [0,1,0,1,0,0|2,0,0]=4 19140 B14R1.263 CCCC(=O)N1CCOCC1CCC 527a_102495339903_100000211992 [0,1,0,1,0,0|2,0,0]=4 19141 B14R1.263 CCCC1CCCCN1C(=O)CCO 240690a_100000701414_100011216618 [0,1,0,1,0,0|2,0,0]=4 19142 B14R1.263 CCCC1CCCCN1C(=O)COC 11a_100000701414_100000210968 [0,1,0,1,0,0|2,0,0]=4 19143 B14R1.263 CCCC1CCCCN1C(=O)COC 1626a_100000701414_100000210968 [0,1,0,1,0,0|2,0,0]=4 19144 B14R1.263 CCCC1CCCCN1C(=O)COC 240690a_100000701414_100000210968 [0,1,0,1,0,0|2,0,0]=4 19145 B14R1.263 CCCC1CCCCN1C(=O)COC 527a_100000701414_100000210968 [0,1,0,1,0,0|2,0,0]=4 19146 B14R1.263 CCCC1CCCCN1C(=O)CSC 11a_100000701414_100000184570 [0,1,0,1,0,0|2,0,0]=4 19147 B14R1.263 CCCC1CCCCN1C(=O)CSC 1626a_100000701414_100000184570 [0,1,0,1,0,0|2,0,0]=4 19148 B14R1.263 CCCC1CCCCN1C(=O)CSC 240690a_100000701414_100000184570 [0,1,0,1,0,0|2,0,0]=4 19149 B14R1.263 CCCC1CCCCN1C(=O)CSC 527a_100000701414_100000184570 [0,1,0,1,0,0|2,0,0]=4 19150 B14R1.263 CCCC1CCCCN1C(=O)NCC 2708a_100015525214_100000701414 [0,1,0,1,0,0|1,0,0]=3 19151 B14R1.263 CCCC1CCCCN1C(=O)NCC 273464a_100015525214_100000701414 [0,1,0,1,0,0|1,0,0]=3 19152 B14R1.263 CCCC1COCCN1C(=O)NCC 2708a_100015525214_102495339903 [0,1,0,1,0,0|2,0,0]=4 19153 B14R1.263 CCCC1COCCN1C(=O)NCC 273464a_100015525214_102495339903 [0,1,0,1,0,0|2,0,0]=4 19154 B14R1.263 CCCN1CCCCC1C(=O)CCF 1458a_100000743559_100011217306 [0,1,0,1,0,0|2,0,0]=4 19155 B14R1.263 CCCN1CCCCC1C(=O)CCO 1458a_100000743559_100000211926 [0,1,0,1,0,0|2,0,0]=4 19156 B14R1.263 CCCN1CCCCC1C(=O)NCC 240690a_100015525214_100000743559 [0,1,0,1,0,0|1,0,0]=3 19157 B14R1.263 CCCN1CCCCC1C(=O)NNC 22a_100016993582_100000743559 [0,1,0,1,0,0|2,0,0]=4 19158 B14R1.263 CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210303 [0,1,0,1,0,0|0,0,0]=2 19159 B14R1.263 CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210303 [0,1,0,1,0,0|0,0,0]=2 19160 B14R1.263 CCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210303 [0,1,0,1,0,0|1,0,0]=3 19161 B14R1.263 CCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210303 [0,1,0,1,0,0|1,0,0]=3 19162 B14R1.263 CCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210303 [0,1,0,1,0,0|1,0,0]=3 19163 B14R1.263 CCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210303 [0,1,0,1,0,0|1,0,0]=3 19164 B14R1.263 CCNC(=O)N1CCCCC1CCO 2708a_100015525214_100000211664 [0,1,0,1,0,0|2,0,0]=4 19165 B14R1.263 CCNC(=O)N1CCCCC1CCO 273464a_100015525214_100000211664 [0,1,0,1,0,0|2,0,0]=4 19166 B14R1.263 CCNC(=O)N1CCCCC1COC 2708a_100015525214_100015184032 [0,1,0,1,0,0|2,0,0]=4 19167 B14R1.263 CCNC(=O)N1CCCCC1COC 273464a_100015525214_100015184032 [0,1,0,1,0,0|2,0,0]=4 19168 B14R1.263 CCOC(=O)C1CCCCC1OCC 7a_100000038711_100000210202 [0,1,0,1,0,0|0,0,0]=2 19169 B14R1.263 CCOC(=O)C1CCCCC1OCF 7a_100000038711_100015361967 [0,1,0,1,0,0|1,0,0]=3 19170 B14R1.263 CCOC(=O)C1CCCCN1CC#N 2230a_100016990872_100011215382 [0,1,0,1,0,0|1,0,1]=4 19171 B14R1.263 CCOC(=O)C1CCCCN1CC#N 269982a_100016990872_100011214920 [0,1,0,1,0,0|1,0,1]=4 19172 B14R1.263 CCOC(=O)C1CCCCN1CC=O 2230a_100016990872_200015260668 [0,1,0,1,0,0|1,0,1]=4 19173 B14R1.263 CCOC(=O)C1CCCCN1CC=O 269982a_100016990872_200015260668 [0,1,0,1,0,0|1,0,1]=4 19174 B14R1.263 CCOC(=O)C1CCCCN1CCF 2230a_100016990872_100011217306 [0,1,0,1,0,0|1,0,0]=3 19175 B14R1.263 CCOC(=O)C1CCCCN1CCF 269982a_100016990872_100011217306 [0,1,0,1,0,0|1,0,0]=3 19176 B14R1.263 CCOC(=O)C1CCCCN1CCO 2230a_100016990872_100000211926 [0,1,0,1,0,0|1,0,0]=3 19177 B14R1.263 CCOC(=O)C1CCCCN1CCO 269982a_100016990872_100000211926 [0,1,0,1,0,0|1,0,0]=3 19178 B14R1.263 CCOC(=O)C1CCCCN1COC 2230a_100016990872_100000766300 [0,1,0,1,0,0|1,0,0]=3 19179 B14R1.263 CCOC(=O)C1CCCCN1COC 269982a_100016990872_100000766300 [0,1,0,1,0,0|1,0,0]=3 19180 B14R1.263 CCOC(=O)C1CCCCN1CSC 2230a_100016990872_100011218213 [0,1,0,1,0,0|1,0,0]=3 19181 B14R1.263 CCOC(=O)C1CCCCN1CSC 269982a_100016990872_100011218213 [0,1,0,1,0,0|1,0,0]=3 19182 B14R1.263 CCOC(=O)C1CSCCN1CCF 2230a_100000735462_100011217306 [0,1,0,1,0,0|2,0,0]=4 19183 B14R1.263 CCOC(=O)C1CSCCN1CCF 269982a_100000735462_100011217306 [0,1,0,1,0,0|2,0,0]=4 19184 B14R1.263 CCOC(=O)C1CSCCN1CCO 2230a_100000735462_100000211926 [0,1,0,1,0,0|2,0,0]=4 19185 B14R1.263 CCOC(=O)C1CSCCN1CCO 269982a_100000735462_100000211926 [0,1,0,1,0,0|2,0,0]=4 19186 B14R1.263 CCOC(=O)C1CSCCN1COC 2230a_100000735462_100000766300 [0,1,0,1,0,0|2,0,0]=4 19187 B14R1.263 CCOC(=O)C1CSCCN1COC 269982a_100000735462_100000766300 [0,1,0,1,0,0|2,0,0]=4 19188 B14R1.263 CCOC(=O)C1CSCCN1CSC 2230a_100000735462_100011218213 [0,1,0,1,0,0|2,0,0]=4 19189 B14R1.263 CCOC(=O)C1CSCCN1CSC 269982a_100000735462_100011218213 [0,1,0,1,0,0|2,0,0]=4 19190 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCF 2230a_100015229691_100011217306 [0,1,0,1,0,0|2,0,0]=4 19191 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCF 269982a_100015229691_100011217306 [0,1,0,1,0,0|2,0,0]=4 19192 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCO 2230a_100015229691_100000211926 [0,1,0,1,0,0|2,0,0]=4 19193 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCO 269982a_100015229691_100000211926 [0,1,0,1,0,0|2,0,0]=4 19194 B14R1.263 CCOC(=O)[C@@H]1COCCN1COC 2230a_100015229691_100000766300 [0,1,0,1,0,0|2,0,0]=4 19195 B14R1.263 CCOC(=O)[C@@H]1COCCN1COC 269982a_100015229691_100000766300 [0,1,0,1,0,0|2,0,0]=4 19196 B14R1.263 CCOC(=O)[C@@H]1COCCN1CSC 2230a_100015229691_100011218213 [0,1,0,1,0,0|2,0,0]=4 19197 B14R1.263 CCOC(=O)[C@@H]1COCCN1CSC 269982a_100015229691_100011218213 [0,1,0,1,0,0|2,0,0]=4 19198 B14R1.273 CCCC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000747444 [0,1,0,1,0,0|2,0,0]=4 19199 B14R1.273 CCCC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000747444 [0,1,0,1,0,0|2,0,0]=4 19200 B14R1.273 CCNC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000183381 [0,1,0,1,0,0|2,0,0]=4 19201 B14R1.273 CCNC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000183381 [0,1,0,1,0,0|2,0,0]=4 19202 B14R1.273 CCNC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000183381 [0,1,0,1,0,0|2,0,0]=4 19203 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000188475 [0,1,0,1,0,0|1,0,0]=3 19204 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000188475 [0,1,0,1,0,0|1,0,0]=3 19205 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000188475 [0,1,0,1,0,0|1,0,0]=3 19206 B14R1.520 C=COC(=O)CNCC1CCCCC1 2230a_100000210473_100000036128 [0,1,0,1,0,0|0,0,2]=4 19207 B14R1.520 C=COC(=O)CNCC1CCCCC1 34a_100000210473_100000036128 [0,1,0,1,0,0|0,0,2]=4 19208 B14R1.520 C=COC(=O)COCC1CCCCC1 34a_100000212181_100000036128 [0,1,0,1,0,0|0,0,2]=4 19209 B14R1.520 C=COC(=O)CSCC1CCCCC1 62a_100000036128_100000211423 [0,1,0,1,0,0|0,0,2]=4 19210 B14R1.520 C=COC(=O)CSCC1CCCCC1 62a_100000211423_100000036128 [0,1,0,1,0,0|0,0,2]=4 19211 B14R1.520 CC#CC(=O)CCCC1CCCCC1 1458a_100000763181_100011713725 [0,1,0,1,0,0|1,0,1]=4 19212 B14R1.520 CC#CC(=O)CCCN1CCCCC1 1458a_100000763181_100000690320 [0,1,0,1,0,0|1,0,1]=4 19213 B14R1.520 CC#CC(=O)CCOC1CCCCC1 1458a_100000763181_100011211530 [0,1,0,1,0,0|1,0,1]=4 19214 B14R1.520 CC=CC(=O)CCCC1CCCCC1 1458a_100000210699_100011713725 [0,1,0,1,0,0|1,0,1]=4 19215 B14R1.520 CC=CC(=O)CCCN1CCCCC1 1458a_100000210699_100000690320 [0,1,0,1,0,0|1,0,1]=4 19216 B14R1.520 CC=CC(=O)CCOC1CCCCC1 1458a_100000210699_100011211530 [0,1,0,1,0,0|1,0,1]=4 19217 B14R1.520 CC=CC(=O)NCCC1CCCCC1 11a_100000738074_100000210699 [0,1,0,1,0,0|1,0,1]=4 19218 B14R1.520 CC=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000210699 [0,1,0,1,0,0|1,0,1]=4 19219 B14R1.520 CC=CC(=O)NCCC1CCCCC1 240690a_100000738074_100000210699 [0,1,0,1,0,0|1,0,1]=4 19220 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210303 [0,1,0,1,0,0|1,0,0]=3 19221 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211992_100011713725 [0,1,0,1,0,0|1,0,0]=3 19222 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000211992_100000690320 [0,1,0,1,0,0|1,0,0]=3 19223 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210303 [0,1,0,1,0,0|1,0,0]=3 19224 B14R1.520 CCCC(=O)CCCN1CCOCC1 1458a_100000211992_100000748698 [0,1,0,1,0,0|2,0,0]=4 19225 B14R1.520 CCCC(=O)CCOC1CCCCC1 1458a_100000211992_100011211530 [0,1,0,1,0,0|1,0,0]=3 19226 B14R1.520 CCCC(=O)CCOC1CCCCO1 1458a_100000211992_100000744793 [0,1,0,1,0,0|2,0,0]=4 19227 B14R1.520 CCCC(=O)CNCC1CCCCC1 2230a_100000210473_100000747444 [0,1,0,1,0,0|1,0,0]=3 19228 B14R1.520 CCCC(=O)CNCC1CCCCO1 2230a_100000174945_100000747444 [0,1,0,1,0,0|2,0,0]=4 19229 B14R1.520 CCCC(=O)CNCC1CCCOC1 2230a_100000720124_100000747444 [0,1,0,1,0,0|2,0,0]=4 19230 B14R1.520 CCCC(=O)CNCC1CCOCC1 2230a_100000746373_100000747444 [0,1,0,1,0,0|2,0,0]=4 19231 B14R1.520 CCCC(=O)CNCC1CCSCC1 2230a_100015188806_100000747444 [0,1,0,1,0,0|2,0,0]=4 19232 B14R1.520 CCCC(=O)COCC1CCCCC1 7a_100000212181_100000747444 [0,1,0,1,0,0|1,0,0]=3 19233 B14R1.520 CCCC(=O)COCC1CCCCO1 1458a_100011223378_100000210303 [0,1,0,1,0,0|2,0,0]=4 19234 B14R1.520 CCCC(=O)COCC1CCCCO1 7a_100000211370_100000747444 [0,1,0,1,0,0|2,0,0]=4 19235 B14R1.520 CCCC(=O)COCC1CCSCC1 7a_100000070558_100000747444 [0,1,0,1,0,0|2,0,0]=4 19236 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000211423_100000747444 [0,1,0,1,0,0|1,0,0]=3 19237 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000747444_100000211423 [0,1,0,1,0,0|1,0,0]=3 19238 B14R1.520 CCCC(=O)CSCC1CCCCO1 62a_100000211543_100000747444 [0,1,0,1,0,0|2,0,0]=4 19239 B14R1.520 CCCC(=O)CSCC1CCCCO1 62a_100000747444_100000211543 [0,1,0,1,0,0|2,0,0]=4 19240 B14R1.520 CCCC(=O)CSCC1CCCOC1 62a_100000741521_100000747444 [0,1,0,1,0,0|2,0,0]=4 19241 B14R1.520 CCCC(=O)CSCC1CCCOC1 62a_100000747444_100000741521 [0,1,0,1,0,0|2,0,0]=4 19242 B14R1.520 CCCC(=O)CSCC1CCOCC1 62a_100000747444_100000749018 [0,1,0,1,0,0|2,0,0]=4 19243 B14R1.520 CCCC(=O)CSCC1CCOCC1 62a_100000754603_100000747444 [0,1,0,1,0,0|2,0,0]=4 19244 B14R1.520 CCCC(=O)NCCC1CCCCC1 11a_100000738074_100000211992 [0,1,0,1,0,0|1,0,0]=3 19245 B14R1.520 CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211992 [0,1,0,1,0,0|1,0,0]=3 19246 B14R1.520 CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211992 [0,1,0,1,0,0|1,0,0]=3 19247 B14R1.520 CCCC(=O)NCCC1CCCCC1 527a_100000738074_100000211992 [0,1,0,1,0,0|1,0,0]=3 19248 B14R1.520 CCCC(=O)NCCC1CCCCO1 11a_100015183643_100000211992 [0,1,0,1,0,0|2,0,0]=4 19249 B14R1.520 CCCC(=O)NCCC1CCCCO1 1626a_100015183643_100000211992 [0,1,0,1,0,0|2,0,0]=4 19250 B14R1.520 CCCC(=O)NCCC1CCCCO1 240690a_100015183643_100000211992 [0,1,0,1,0,0|2,0,0]=4 19251 B14R1.520 CCCC(=O)NCCC1CCCCO1 527a_100015183643_100000211992 [0,1,0,1,0,0|2,0,0]=4 19252 B14R1.520 CCCC(=O)NCCC1CCOCC1 11a_100000755988_100000211992 [0,1,0,1,0,0|2,0,0]=4 19253 B14R1.520 CCCC(=O)NCCC1CCOCC1 1626a_100000755988_100000211992 [0,1,0,1,0,0|2,0,0]=4 19254 B14R1.520 CCCC(=O)NCCC1CCOCC1 240690a_100000755988_100000211992 [0,1,0,1,0,0|2,0,0]=4 19255 B14R1.520 CCCC(=O)NCCC1CCOCC1 527a_100000755988_100000211992 [0,1,0,1,0,0|2,0,0]=4 19256 B14R1.520 CCCC(=O)NCCN1CCCCC1 240690a_100000216509_100000211992 [0,1,0,1,0,0|2,0,0]=4 19257 B14R1.520 CCCC(=O)NCCN1CCCCC1 527a_100000216509_100000211992 [0,1,0,1,0,0|2,0,0]=4 19258 B14R1.520 CCCC(=O)NNCC1CCCCC1 22a_100000740227_100000211992 [0,1,0,1,0,0|2,0,0]=4 19259 B14R1.520 CCCC(=O)OCNC1CCCCC1 2230a_100000182618_100000034017 [0,1,0,1,0,0|2,0,0]=4 19260 B14R1.520 CCCC(=O)OCNC1CCCCC1 34a_100000182618_100000034017 [0,1,0,1,0,0|2,0,0]=4 19261 B14R1.520 CCCC(=O)OCOC1CCCCC1 34a_100000210231_100000034017 [0,1,0,1,0,0|2,0,0]=4 19262 B14R1.520 CCCC(=O)OCSC1CCCCC1 62a_100000210327_100000034017 [0,1,0,1,0,0|2,0,0]=4 19263 B14R1.520 CCNC(=O)CCCC1CCCCC1 11a_100015525214_100000211478 [0,1,0,1,0,0|1,0,0]=3 19264 B14R1.520 CCNC(=O)CCCC1CCCCC1 240690a_100015525214_100000211478 [0,1,0,1,0,0|1,0,0]=3 19265 B14R1.520 CCNC(=O)CCCC1CCCCC1 527a_100015525214_100000211478 [0,1,0,1,0,0|1,0,0]=3 19266 B14R1.520 CCNC(=O)CCCN1CCCCC1 240690a_100015525214_100000742516 [0,1,0,1,0,0|1,0,0]=3 19267 B14R1.520 CCNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737597 [0,1,0,1,0,0|1,0,0]=3 19268 B14R1.520 CCNC(=O)CCNC1CCCCC1 270004a_100025743525_100000210434 [0,1,0,1,0,0|1,0,0]=3 19269 B14R1.520 CCNC(=O)CCNC1CCCCC1 34a_100025743525_100000210327 [0,1,0,1,0,0|1,0,0]=3 19270 B14R1.520 CCNC(=O)CCNC1CCCOC1 2230a_100000719290_100000737597 [0,1,0,1,0,0|2,0,0]=4 19271 B14R1.520 CCNC(=O)CCNC1CCCOC1 270004a_100025743525_100000753404 [0,1,0,1,0,0|2,0,0]=4 19272 B14R1.520 CCNC(=O)CCNC1CCCOC1 34a_100025743525_100000693364 [0,1,0,1,0,0|2,0,0]=4 19273 B14R1.520 CCNC(=O)CCNC1CCCSC1 270004a_100025743525_100000057913 [0,1,0,1,0,0|2,0,0]=4 19274 B14R1.520 CCNC(=O)CCNC1CCNCC1 270004a_100025743525_100015192401 [0,1,0,1,0,0|2,0,0]=4 19275 B14R1.520 CCNC(=O)CCNC1CCOCC1 2230a_100000741149_100000737597 [0,1,0,1,0,0|2,0,0]=4 19276 B14R1.520 CCNC(=O)CCNC1CCOCC1 270004a_100025743525_100011217826 [0,1,0,1,0,0|2,0,0]=4 19277 B14R1.520 CCNC(=O)CCNC1CCSCC1 2230a_100000748639_100000737597 [0,1,0,1,0,0|2,0,0]=4 19278 B14R1.520 CCNC(=O)CCNC1CCSCC1 270004a_100025743525_100000203788 [0,1,0,1,0,0|2,0,0]=4 19279 B14R1.520 CCNC(=O)CCNC1CCSCC1 34a_100025743525_100000069128 [0,1,0,1,0,0|2,0,0]=4 19280 B14R1.520 CCNC(=O)CCOC1CCCCC1 7a_100000210231_100000737597 [0,1,0,1,0,0|1,0,0]=3 19281 B14R1.520 CCNC(=O)CCOC1CCCSC1 7a_100015962668_100000737597 [0,1,0,1,0,0|2,0,0]=4 19282 B14R1.520 CCNC(=O)CCOC1CCSCC1 7a_100000731022_100000737597 [0,1,0,1,0,0|2,0,0]=4 19283 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000210327_100000737597 [0,1,0,1,0,0|1,0,0]=3 19284 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000737597_100000210327 [0,1,0,1,0,0|1,0,0]=3 19285 B14R1.520 CCNC(=O)CCSC1CCCOC1 62a_100000737597_100000693364 [0,1,0,1,0,0|2,0,0]=4 19286 B14R1.520 CCNC(=O)CCSC1CCOCC1 62a_100000737597_100011324220 [0,1,0,1,0,0|2,0,0]=4 19287 B14R1.520 CCNC(=O)CCSC1CCSCC1 62a_100000737597_100000069128 [0,1,0,1,0,0|2,0,0]=4 19288 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183381 [0,1,0,1,0,0|1,0,0]=3 19289 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100016988866_100000211423 [0,1,0,1,0,0|1,0,0]=3 19290 B14R1.520 CCNC(=O)CNCC1CCCCC1 34a_100000210473_100000183381 [0,1,0,1,0,0|1,0,0]=3 19291 B14R1.520 CCNC(=O)CNCC1CCCCO1 2230a_100000174945_100000183381 [0,1,0,1,0,0|2,0,0]=4 19292 B14R1.520 CCNC(=O)CNCC1CCCCO1 2230a_100016988866_100000211543 [0,1,0,1,0,0|2,0,0]=4 19293 B14R1.520 CCNC(=O)CNCC1CCCCO1 34a_100000174945_100000183381 [0,1,0,1,0,0|2,0,0]=4 19294 B14R1.520 CCNC(=O)CNCC1CCCOC1 2230a_100000720124_100000183381 [0,1,0,1,0,0|2,0,0]=4 19295 B14R1.520 CCNC(=O)CNCC1CCCOC1 2230a_100016988866_100000741521 [0,1,0,1,0,0|2,0,0]=4 19296 B14R1.520 CCNC(=O)CNCC1CCCOC1 34a_100000720124_100000183381 [0,1,0,1,0,0|2,0,0]=4 19297 B14R1.520 CCNC(=O)CNCC1CCOCC1 2230a_100000746373_100000183381 [0,1,0,1,0,0|2,0,0]=4 19298 B14R1.520 CCNC(=O)CNCC1CCOCC1 2230a_100016988866_100000754603 [0,1,0,1,0,0|2,0,0]=4 19299 B14R1.520 CCNC(=O)CNCC1CCOCC1 34a_100000746373_100000183381 [0,1,0,1,0,0|2,0,0]=4 19300 B14R1.520 CCNC(=O)CNCC1CCSCC1 2230a_100015188806_100000183381 [0,1,0,1,0,0|2,0,0]=4 19301 B14R1.520 CCNC(=O)CNCC1CCSCC1 270004a_100016988866_100000067145 [0,1,0,1,0,0|2,0,0]=4 19302 B14R1.520 CCNC(=O)CNCC1CCSCC1 34a_100015188806_100000183381 [0,1,0,1,0,0|2,0,0]=4 19303 B14R1.520 CCNC(=O)COCC1CCCCC1 34a_100000212181_100000183381 [0,1,0,1,0,0|1,0,0]=3 19304 B14R1.520 CCNC(=O)COCC1CCCCC1 7a_100000212181_100000183381 [0,1,0,1,0,0|1,0,0]=3 19305 B14R1.520 CCNC(=O)COCC1CCCCN1 34a_100000210821_100000183381 [0,1,0,1,0,0|2,0,0]=4 19306 B14R1.520 CCNC(=O)COCC1CCCCO1 11a_100015525214_100011223378 [0,1,0,1,0,0|2,0,0]=4 19307 B14R1.520 CCNC(=O)COCC1CCCCO1 240690a_100015525214_100011223378 [0,1,0,1,0,0|2,0,0]=4 19308 B14R1.520 CCNC(=O)COCC1CCCCO1 34a_100000211370_100000183381 [0,1,0,1,0,0|2,0,0]=4 19309 B14R1.520 CCNC(=O)COCC1CCCCO1 527a_100015525214_100011223378 [0,1,0,1,0,0|2,0,0]=4 19310 B14R1.520 CCNC(=O)COCC1CCCCO1 7a_100000211370_100000183381 [0,1,0,1,0,0|2,0,0]=4 19311 B14R1.520 CCNC(=O)COCC1CCCNC1 34a_100000211344_100000183381 [0,1,0,1,0,0|2,0,0]=4 19312 B14R1.520 CCNC(=O)COCC1CCCOC1 34a_100000741520_100000183381 [0,1,0,1,0,0|2,0,0]=4 19313 B14R1.520 CCNC(=O)COCC1CCNCC1 34a_100000738675_100000183381 [0,1,0,1,0,0|2,0,0]=4 19314 B14R1.520 CCNC(=O)COCC1CCOCC1 34a_100000749013_100000183381 [0,1,0,1,0,0|2,0,0]=4 19315 B14R1.520 CCNC(=O)COCC1CCSCC1 34a_100000070558_100000183381 [0,1,0,1,0,0|2,0,0]=4 19316 B14R1.520 CCNC(=O)COCC1CCSCC1 7a_100000070558_100000183381 [0,1,0,1,0,0|2,0,0]=4 19317 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000183381_100000211423 [0,1,0,1,0,0|1,0,0]=3 19318 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000211423_100000183381 [0,1,0,1,0,0|1,0,0]=3 19319 B14R1.520 CCNC(=O)CSCC1CCCCO1 62a_100000183381_100000211543 [0,1,0,1,0,0|2,0,0]=4 19320 B14R1.520 CCNC(=O)CSCC1CCCCO1 62a_100000211543_100000183381 [0,1,0,1,0,0|2,0,0]=4 19321 B14R1.520 CCNC(=O)CSCC1CCCOC1 62a_100000183381_100000741521 [0,1,0,1,0,0|2,0,0]=4 19322 B14R1.520 CCNC(=O)CSCC1CCCOC1 62a_100000741521_100000183381 [0,1,0,1,0,0|2,0,0]=4 19323 B14R1.520 CCNC(=O)CSCC1CCOCC1 62a_100000183381_100000749018 [0,1,0,1,0,0|2,0,0]=4 19324 B14R1.520 CCNC(=O)CSCC1CCOCC1 62a_100000754603_100000183381 [0,1,0,1,0,0|2,0,0]=4 19325 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100000738074_100015525214 [0,1,0,1,0,0|1,0,0]=3 19326 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100015525214_100000738074 [0,1,0,1,0,0|1,0,0]=3 19327 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100000738074_100015525214 [0,1,0,1,0,0|1,0,0]=3 19328 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100015525214_100000738074 [0,1,0,1,0,0|1,0,0]=3 19329 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100000738074_100015525214 [0,1,0,1,0,0|1,0,0]=3 19330 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100015525214_100000738074 [0,1,0,1,0,0|1,0,0]=3 19331 B14R1.520 CCNC(=O)NCCC1CCCCO1 2708a_100015183643_100015525214 [0,1,0,1,0,0|2,0,0]=4 19332 B14R1.520 CCNC(=O)NCCC1CCCCO1 2708a_100015525214_100015183643 [0,1,0,1,0,0|2,0,0]=4 19333 B14R1.520 CCNC(=O)NCCC1CCCCO1 273464a_100015183643_100015525214 [0,1,0,1,0,0|2,0,0]=4 19334 B14R1.520 CCNC(=O)NCCC1CCCCO1 273464a_100015525214_100015183643 [0,1,0,1,0,0|2,0,0]=4 19335 B14R1.520 CCNC(=O)NCCC1CCCCO1 512a_100015183643_100015525214 [0,1,0,1,0,0|2,0,0]=4 19336 B14R1.520 CCNC(=O)NCCC1CCCCO1 512a_100015525214_100015183643 [0,1,0,1,0,0|2,0,0]=4 19337 B14R1.520 CCNC(=O)NCCC1CCOCC1 2708a_100000755988_100015525214 [0,1,0,1,0,0|2,0,0]=4 19338 B14R1.520 CCNC(=O)NCCC1CCOCC1 2708a_100015525214_100000755988 [0,1,0,1,0,0|2,0,0]=4 19339 B14R1.520 CCNC(=O)NCCC1CCOCC1 273464a_100000755988_100015525214 [0,1,0,1,0,0|2,0,0]=4 19340 B14R1.520 CCNC(=O)NCCC1CCOCC1 273464a_100015525214_100000755988 [0,1,0,1,0,0|2,0,0]=4 19341 B14R1.520 CCNC(=O)NCCC1CCOCC1 512a_100000755988_100015525214 [0,1,0,1,0,0|2,0,0]=4 19342 B14R1.520 CCNC(=O)NCCC1CCOCC1 512a_100015525214_100000755988 [0,1,0,1,0,0|2,0,0]=4 19343 B14R1.520 CCNC(=O)NCCN1CCCCC1 2708a_100015525214_100000216509 [0,1,0,1,0,0|2,0,0]=4 19344 B14R1.520 CCNC(=O)NCCN1CCCCC1 273464a_100000216509_100015525214 [0,1,0,1,0,0|2,0,0]=4 19345 B14R1.520 CCNC(=O)NCCN1CCCCC1 273464a_100015525214_100000216509 [0,1,0,1,0,0|2,0,0]=4 19346 B14R1.520 CCNC(=O)NNCC1CCCCC1 273464a_100015525214_100000740227 [0,1,0,1,0,0|2,0,0]=4 19347 B14R1.520 CCNC(=O)NNCC1CCCCC1 512a_100015525214_100000740227 [0,1,0,1,0,0|2,0,0]=4 19348 B14R1.520 CCOC(=O)C=NNC1CCCCC1 4a_100000709804_100000742314 [0,1,0,1,0,0|1,0,1]=4 19349 B14R1.520 CCOC(=O)CCCN1CC=CCC1 2230a_100000698166_100009991533 [0,1,0,1,0,0|0,0,2]=4 19350 B14R1.520 CCOC(=O)CCCN1CC=CCC1 269982a_100000698166_100009991533 [0,1,0,1,0,0|0,0,2]=4 19351 B14R1.520 CCOC(=O)CCCN1CC=CCC1 34a_100000698166_100009991533 [0,1,0,1,0,0|0,0,2]=4 19352 B14R1.520 CCOC(=O)CCCN1CCCOC1 2230a_100000131196_100009991533 [0,1,0,1,0,0|1,0,0]=3 19353 B14R1.520 CCOC(=O)CCCN1CCCOC1 269982a_100000131196_100009991533 [0,1,0,1,0,0|1,0,0]=3 19354 B14R1.520 CCOC(=O)CCCN1CCCOC1 34a_100000131196_100009991533 [0,1,0,1,0,0|1,0,0]=3 19355 B14R1.520 CCOC(=O)CCCN1CCOCC1 2230a_100015191051_100009991533 [0,1,0,1,0,0|1,0,0]=3 19356 B14R1.520 CCOC(=O)CCCN1CCOCC1 269982a_100015191051_100009991533 [0,1,0,1,0,0|1,0,0]=3 19357 B14R1.520 CCOC(=O)CCCN1CCOCC1 34a_100015191051_100009991533 [0,1,0,1,0,0|1,0,0]=3 19358 B14R1.520 CCOC(=O)CCCN1CCSCC1 2230a_100000737611_100009991533 [0,1,0,1,0,0|1,0,0]=3 19359 B14R1.520 CCOC(=O)CCCN1CCSCC1 269982a_100000737611_100009991533 [0,1,0,1,0,0|1,0,0]=3 19360 B14R1.520 CCOC(=O)CCNC1CCCCC1 2230a_100000182618_100011206558 [0,1,0,1,0,0|0,0,0]=2 19361 B14R1.520 CCOC(=O)CCNC1CCCCC1 34a_100000182618_100000765890 [0,1,0,1,0,0|0,0,0]=2 19362 B14R1.520 CCOC(=O)CCNC1CCCOC1 2230a_100000719290_100011206558 [0,1,0,1,0,0|1,0,0]=3 19363 B14R1.520 CCOC(=O)CCNC1CCCOC1 34a_100000719290_100000765890 [0,1,0,1,0,0|1,0,0]=3 19364 B14R1.520 CCOC(=O)CCNC1CCOCC1 2230a_100000741149_100011206558 [0,1,0,1,0,0|1,0,0]=3 19365 B14R1.520 CCOC(=O)CCNC1CCOCC1 34a_100000741149_100000765890 [0,1,0,1,0,0|1,0,0]=3 19366 B14R1.520 CCOC(=O)CCNC1CCSCC1 2230a_100000748639_100011206558 [0,1,0,1,0,0|1,0,0]=3 19367 B14R1.520 CCOC(=O)CCNC1CCSCC1 34a_100000748639_100000765890 [0,1,0,1,0,0|1,0,0]=3 19368 B14R1.520 CCOC(=O)CCOC1C=CCCC1 34a_100011215024_100000765890 [0,1,0,1,0,0|0,0,2]=4 19369 B14R1.520 CCOC(=O)CCOC1CC=CCC1 34a_100000073881_100000765890 [0,1,0,1,0,0|0,0,2]=4 19370 B14R1.520 CCOC(=O)CCOC1CCCCC1 34a_100000210231_100000765890 [0,1,0,1,0,0|0,0,0]=2 19371 B14R1.520 CCOC(=O)CCOC1CCCCC1 7a_100000210231_100011206558 [0,1,0,1,0,0|0,0,0]=2 19372 B14R1.520 CCOC(=O)CCOC1CCCCO1 34a_100000033831_100000765890 [0,1,0,1,0,0|1,0,0]=3 19373 B14R1.520 CCOC(=O)CCOC1CCCOC1 34a_100000754041_100000765890 [0,1,0,1,0,0|1,0,0]=3 19374 B14R1.520 CCOC(=O)CCOC1CCCSC1 7a_100015962668_100011206558 [0,1,0,1,0,0|1,0,0]=3 19375 B14R1.520 CCOC(=O)CCOC1CCOCC1 34a_100000744328_100000765890 [0,1,0,1,0,0|1,0,0]=3 19376 B14R1.520 CCOC(=O)CCOC1CCSCC1 34a_100000731022_100000765890 [0,1,0,1,0,0|1,0,0]=3 19377 B14R1.520 CCOC(=O)CCOC1CCSCC1 7a_100000731022_100011206558 [0,1,0,1,0,0|1,0,0]=3 19378 B14R1.520 CCOC(=O)CCSC1C=CCCC1 62a_100000751183_100000765890 [0,1,0,1,0,0|0,0,2]=4 19379 B14R1.520 CCOC(=O)CCSC1C=CCCC1 62a_100000765890_100000751183 [0,1,0,1,0,0|0,0,2]=4 19380 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000210327_100000765890 [0,1,0,1,0,0|0,0,0]=2 19381 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000765890_100000210327 [0,1,0,1,0,0|0,0,0]=2 19382 B14R1.520 CCOC(=O)CCSC1CCCOC1 62a_100000765890_100000693364 [0,1,0,1,0,0|1,0,0]=3 19383 B14R1.520 CCOC(=O)CCSC1CCOCC1 62a_100000765890_100011324220 [0,1,0,1,0,0|1,0,0]=3 19384 B14R1.520 CCOC(=O)CCSC1CCSCC1 62a_100000765890_100000069128 [0,1,0,1,0,0|1,0,0]=3 19385 B14R1.520 CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000188475 [0,1,0,1,0,0|0,0,0]=2 19386 B14R1.520 CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000188475 [0,1,0,1,0,0|0,0,0]=2 19387 B14R1.520 CCOC(=O)CNCC1CCCCO1 2230a_100000174945_100000188475 [0,1,0,1,0,0|1,0,0]=3 19388 B14R1.520 CCOC(=O)CNCC1CCCCO1 34a_100000174945_100000188475 [0,1,0,1,0,0|1,0,0]=3 19389 B14R1.520 CCOC(=O)CNCC1CCCOC1 2230a_100000720124_100000188475 [0,1,0,1,0,0|1,0,0]=3 19390 B14R1.520 CCOC(=O)CNCC1CCCOC1 34a_100000720124_100000188475 [0,1,0,1,0,0|1,0,0]=3 19391 B14R1.520 CCOC(=O)CNCC1CCOCC1 2230a_100000746373_100000188475 [0,1,0,1,0,0|1,0,0]=3 19392 B14R1.520 CCOC(=O)CNCC1CCOCC1 34a_100000746373_100000188475 [0,1,0,1,0,0|1,0,0]=3 19393 B14R1.520 CCOC(=O)CNCC1CCSCC1 2230a_100015188806_100000188475 [0,1,0,1,0,0|1,0,0]=3 19394 B14R1.520 CCOC(=O)CNCC1CCSCC1 34a_100015188806_100000188475 [0,1,0,1,0,0|1,0,0]=3 19395 B14R1.520 CCOC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000188475 [0,1,0,1,0,0|2,0,0]=4 19396 B14R1.520 CCOC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000188475 [0,1,0,1,0,0|2,0,0]=4 19397 B14R1.520 CCOC(=O)COCC1CC=CCC1 34a_100000210713_100000188475 [0,1,0,1,0,0|0,0,2]=4 19398 B14R1.520 CCOC(=O)COCC1CCCCC1 34a_100000212181_100000188475 [0,1,0,1,0,0|0,0,0]=2 19399 B14R1.520 CCOC(=O)COCC1CCCCC1 7a_100000212181_100000188475 [0,1,0,1,0,0|0,0,0]=2 19400 B14R1.520 CCOC(=O)COCC1CCCCN1 34a_100000210821_100000188475 [0,1,0,1,0,0|1,0,0]=3 19401 B14R1.520 CCOC(=O)COCC1CCCCO1 34a_100000211370_100000188475 [0,1,0,1,0,0|1,0,0]=3 19402 B14R1.520 CCOC(=O)COCC1CCCCO1 7a_100000211370_100000188475 [0,1,0,1,0,0|1,0,0]=3 19403 B14R1.520 CCOC(=O)COCC1CCCNC1 34a_100000211344_100000188475 [0,1,0,1,0,0|1,0,0]=3 19404 B14R1.520 CCOC(=O)COCC1CCCOC1 34a_100000741520_100000188475 [0,1,0,1,0,0|1,0,0]=3 19405 B14R1.520 CCOC(=O)COCC1CCNCC1 34a_100000738675_100000188475 [0,1,0,1,0,0|1,0,0]=3 19406 B14R1.520 CCOC(=O)COCC1CCOCC1 34a_100000749013_100000188475 [0,1,0,1,0,0|1,0,0]=3 19407 B14R1.520 CCOC(=O)COCC1CCSCC1 34a_100000070558_100000188475 [0,1,0,1,0,0|1,0,0]=3 19408 B14R1.520 CCOC(=O)COCC1CCSCC1 7a_100000070558_100000188475 [0,1,0,1,0,0|1,0,0]=3 19409 B14R1.520 CCOC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000188475 [0,1,0,1,0,0|2,0,0]=4 19410 B14R1.520 CCOC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000188475 [0,1,0,1,0,0|2,0,0]=4 19411 B14R1.520 CCOC(=O)COC[C@H]1COCCO1 34a_100009875890_100000188475 [0,1,0,1,0,0|2,0,0]=4 19412 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000188475_100000211423 [0,1,0,1,0,0|0,0,0]=2 19413 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000188475 [0,1,0,1,0,0|0,0,0]=2 19414 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000188475_100000211543 [0,1,0,1,0,0|1,0,0]=3 19415 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000211543_100000188475 [0,1,0,1,0,0|1,0,0]=3 19416 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000188475_100000741521 [0,1,0,1,0,0|1,0,0]=3 19417 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000741521_100000188475 [0,1,0,1,0,0|1,0,0]=3 19418 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000188475_100000749018 [0,1,0,1,0,0|1,0,0]=3 19419 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000754603_100000188475 [0,1,0,1,0,0|1,0,0]=3 19420 B14R1.520 CCOC(=O)NCCN1CCCOC1 269982a_100000131196_200011445536 [0,1,0,1,0,0|2,0,0]=4 19421 B14R1.520 CCOC(=O)NCCN1CCOCC1 269982a_100015191051_200011445536 [0,1,0,1,0,0|2,0,0]=4 19422 B14R1.520 CCOC(=O)NCCN1CCSCC1 269982a_100000737611_200011445536 [0,1,0,1,0,0|2,0,0]=4 19423 B14R1.520 CCOC(=O)OCSC1CCCCC1 62a_100000210327_100000075025 [0,1,0,1,0,0|1,0,0]=3 19424 B14R1.520 CNNC(=O)CCCC1CCCCC1 22a_100016993582_100000211478 [0,1,0,1,0,0|2,0,0]=4 19425 B14R1.520 CNNC(=O)CCCN1CCCCC1 22a_100016993582_100000742516 [0,1,0,1,0,0|2,0,0]=4 19426 B14R1.520 CNNC(=O)NCCC1CCCCC1 273464a_100000738074_100016993582 [0,1,0,1,0,0|2,0,0]=4 19427 B14R1.520 CNNC(=O)NCCC1CCCCC1 512a_100000738074_100016993582 [0,1,0,1,0,0|2,0,0]=4 19428 B14R1.520 CNNC(=O)NCCC1CCCCC1 512a_100016993582_100000738074 [0,1,0,1,0,0|2,0,0]=4 19429 B14R1.520 COCC(=O)CCCC1CCCCC1 1458a_100000210968_100011713725 [0,1,0,1,0,0|2,0,0]=4 19430 B14R1.520 COCC(=O)CCCN1CCCCC1 1458a_100000210968_100000690320 [0,1,0,1,0,0|2,0,0]=4 19431 B14R1.520 COCC(=O)CCOC1CCCCC1 1458a_100000210968_100011211530 [0,1,0,1,0,0|2,0,0]=4 19432 B14R1.520 COCC(=O)NCCC1CCCCC1 11a_100000738074_100000210968 [0,1,0,1,0,0|2,0,0]=4 19433 B14R1.520 COCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210968 [0,1,0,1,0,0|2,0,0]=4 19434 B14R1.520 COCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210968 [0,1,0,1,0,0|2,0,0]=4 19435 B14R1.520 COCC(=O)NCCC1CCCCC1 527a_100000738074_100000210968 [0,1,0,1,0,0|2,0,0]=4 19436 B14R1.520 CSCC(=O)CCCC1CCCCC1 1458a_100000184570_100011713725 [0,1,0,1,0,0|2,0,0]=4 19437 B14R1.520 CSCC(=O)CCCN1CCCCC1 1458a_100000184570_100000690320 [0,1,0,1,0,0|2,0,0]=4 19438 B14R1.520 CSCC(=O)CCOC1CCCCC1 1458a_100000184570_100011211530 [0,1,0,1,0,0|2,0,0]=4 19439 B14R1.520 CSCC(=O)NCCC1CCCCC1 11a_100000738074_100000184570 [0,1,0,1,0,0|2,0,0]=4 19440 B14R1.520 CSCC(=O)NCCC1CCCCC1 1626a_100000738074_100000184570 [0,1,0,1,0,0|2,0,0]=4 19441 B14R1.520 CSCC(=O)NCCC1CCCCC1 240690a_100000738074_100000184570 [0,1,0,1,0,0|2,0,0]=4 19442 B14R1.520 CSCC(=O)NCCC1CCCCC1 527a_100000738074_100000184570 [0,1,0,1,0,0|2,0,0]=4 19443 B14R1.520 O=C(CCF)CCCC1CCCCC1 1458a_100000211478_100011217306 [0,1,0,1,0,0|2,0,0]=4 19444 B14R1.520 O=C(CCF)CCCN1CCCCC1 1458a_100000742516_100011217306 [0,1,0,1,0,0|2,0,0]=4 19445 B14R1.520 O=C(CCO)CCCC1CCCCC1 1458a_100000211478_100000211926 [0,1,0,1,0,0|2,0,0]=4 19446 B14R1.520 O=C(CCO)CCCC1CCCCC1 1458a_100011216618_100011713725 [0,1,0,1,0,0|2,0,0]=4 19447 B14R1.520 O=C(CCO)CCCN1CCCCC1 1458a_100000742516_100000211926 [0,1,0,1,0,0|2,0,0]=4 19448 B14R1.520 O=C(CCO)CCCN1CCCCC1 1458a_100011216618_100000690320 [0,1,0,1,0,0|2,0,0]=4 19449 B14R1.520 O=C(CCO)CCOC1CCCCC1 1458a_100011216618_100011211530 [0,1,0,1,0,0|2,0,0]=4 19450 B14R1.520 O=C(CCO)NCCC1CCCCC1 240690a_100000738074_100011216618 [0,1,0,1,0,0|2,0,0]=4 19451 B14R1.520 O=C(CNCC1CCCCC1)NCO 2230a_100000210473_100000185155 [0,1,0,1,0,0|2,0,0]=4 19452 B14R1.520 O=C(CNCC1CCCCC1)NCO 34a_100000210473_100000185155 [0,1,0,1,0,0|2,0,0]=4 19453 B14R1.520 O=C(COCC1CCCCC1)NCO 34a_100000212181_100000185155 [0,1,0,1,0,0|2,0,0]=4 19454 B14R1.520 O=C(COCC1CCCCC1)NCO 7a_100000212181_100000185155 [0,1,0,1,0,0|2,0,0]=4 19455 B14R1.520 O=C(CSCC1CCCCC1)NCO 62a_100000185155_100000211423 [0,1,0,1,0,0|2,0,0]=4 19456 B14R1.520 O=C(CSCC1CCCCC1)NCO 62a_100000211423_100000185155 [0,1,0,1,0,0|2,0,0]=4 19457 B14R1.598 C=COC(=O)CNC1CCCCC1C 2230a_100000211402_100000036128 [0,1,0,1,0,0|0,0,2]=4 19458 B14R1.598 C=COC(=O)CNC1CCCCC1C 34a_100000211402_100000036128 [0,1,0,1,0,0|0,0,2]=4 19459 B14R1.598 C=COC(=O)COC1CCCCC1C 34a_100000211207_100000036128 [0,1,0,1,0,0|0,0,2]=4 19460 B14R1.598 CC#CC(=O)CCC1CCCCN1C 1458a_100000763181_100000211948 [0,1,0,1,0,0|1,0,1]=4 19461 B14R1.598 CC1CCCCC1NCC(=O)NCO 2230a_100000211402_100000185155 [0,1,0,1,0,0|2,0,0]=4 19462 B14R1.598 CC1CCCCC1NCC(=O)NCO 34a_100000211402_100000185155 [0,1,0,1,0,0|2,0,0]=4 19463 B14R1.598 CC1CCCCC1OCC(=O)CCF 1458a_100011223357_100011217306 [0,1,0,1,0,0|2,0,0]=4 19464 B14R1.598 CC1CCCCC1OCC(=O)CCO 1458a_100011223357_100000211926 [0,1,0,1,0,0|2,0,0]=4 19465 B14R1.598 CC1CCCCC1OCC(=O)NCO 34a_100000211207_100000185155 [0,1,0,1,0,0|2,0,0]=4 19466 B14R1.598 CC1CCCCC1OCC(=O)NCO 7a_100000211207_100000185155 [0,1,0,1,0,0|2,0,0]=4 19467 B14R1.598 CC=CC(=O)CCC1CCCCN1C 1458a_100000210699_100000211948 [0,1,0,1,0,0|1,0,1]=4 19468 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000211992_100000211948 [0,1,0,1,0,0|1,0,0]=3 19469 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210303 [0,1,0,1,0,0|1,0,0]=3 19470 B14R1.598 CCCC(=O)CNC1CCCCC1C 2230a_100000211402_100000747444 [0,1,0,1,0,0|1,0,0]=3 19471 B14R1.598 CCCC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747444 [0,1,0,1,0,0|2,0,0]=4 19472 B14R1.598 CCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210303 [0,1,0,1,0,0|1,0,0]=3 19473 B14R1.598 CCCC(=O)COC1CCCCC1C 7a_100000211207_100000747444 [0,1,0,1,0,0|1,0,0]=3 19474 B14R1.598 CCCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747444 [0,1,0,1,0,0|2,0,0]=4 19475 B14R1.598 CCCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747444 [0,1,0,1,0,0|2,0,0]=4 19476 B14R1.598 CCCC(=O)CSC1CCCCC1F 62a_100000747444_100015423560 [0,1,0,1,0,0|2,0,0]=4 19477 B14R1.598 CCCC(=O)CSC1CCCCC1F 62a_100015423560_100000747444 [0,1,0,1,0,0|2,0,0]=4 19478 B14R1.598 CCCC(=O)CSC1CCCCC1O 62a_100000038908_100000747444 [0,1,0,1,0,0|2,0,0]=4 19479 B14R1.598 CCCC(=O)CSC1CCCCC1O 62a_100000747444_100000038908 [0,1,0,1,0,0|2,0,0]=4 19480 B14R1.598 CCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000211992 [0,1,0,1,0,0|2,0,0]=4 19481 B14R1.598 CCCC(=O)NCC1CCCCC1O 527a_100011216029_100000211992 [0,1,0,1,0,0|2,0,0]=4 19482 B14R1.598 CCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000211992 [0,1,0,1,0,0|2,0,0]=4 19483 B14R1.598 CCCC(=O)NCC1CCCCN1C 527a_100011228421_100000211992 [0,1,0,1,0,0|2,0,0]=4 19484 B14R1.598 CCCC(=O)OCN1CCCCC1C 2230a_100000211376_100000034017 [0,1,0,1,0,0|2,0,0]=4 19485 B14R1.598 CCCC(=O)OCN1CCCCC1C 269982a_100000211376_100000034017 [0,1,0,1,0,0|2,0,0]=4 19486 B14R1.598 CCCC(=O)OCN1CCCCC1C 34a_100000211376_100000034017 [0,1,0,1,0,0|2,0,0]=4 19487 B14R1.598 CCNC(=O)CCC1CCCCN1C 240690a_100015525214_100000718493 [0,1,0,1,0,0|1,0,0]=3 19488 B14R1.598 CCNC(=O)CCC1CCCCN1C 527a_100015525214_100000718493 [0,1,0,1,0,0|1,0,0]=3 19489 B14R1.598 CCNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737597 [0,1,0,1,0,0|1,0,0]=3 19490 B14R1.598 CCNC(=O)CCN1CCCCC1C 240690a_100015525214_100000727554 [0,1,0,1,0,0|1,0,0]=3 19491 B14R1.598 CCNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737597 [0,1,0,1,0,0|1,0,0]=3 19492 B14R1.598 CCNC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000737597 [0,1,0,1,0,0|2,0,0]=4 19493 B14R1.598 CCNC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000737597 [0,1,0,1,0,0|2,0,0]=4 19494 B14R1.598 CCNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183381 [0,1,0,1,0,0|1,0,0]=3 19495 B14R1.598 CCNC(=O)CNC1CCCCC1C 270004a_100016988866_100000210921 [0,1,0,1,0,0|1,0,0]=3 19496 B14R1.598 CCNC(=O)CNC1CCCCC1C 34a_100000211402_100000183381 [0,1,0,1,0,0|1,0,0]=3 19497 B14R1.598 CCNC(=O)CNC1CCNCC1C 270004a_100016988866_100000703950 [0,1,0,1,0,0|2,0,0]=4 19498 B14R1.598 CCNC(=O)CNC1CCOCC1C 270004a_100016988866_100000755695 [0,1,0,1,0,0|2,0,0]=4 19499 B14R1.598 CCNC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000183381 [0,1,0,1,0,0|2,0,0]=4 19500 B14R1.598 CCNC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000183381 [0,1,0,1,0,0|2,0,0]=4 19501 B14R1.598 CCNC(=O)COC1CCCCC1C 11a_100015525214_100011223357 [0,1,0,1,0,0|1,0,0]=3 19502 B14R1.598 CCNC(=O)COC1CCCCC1C 240690a_100015525214_100011223357 [0,1,0,1,0,0|1,0,0]=3 19503 B14R1.598 CCNC(=O)COC1CCCCC1C 34a_100000211207_100000183381 [0,1,0,1,0,0|1,0,0]=3 19504 B14R1.598 CCNC(=O)COC1CCCCC1C 527a_100015525214_100011223357 [0,1,0,1,0,0|1,0,0]=3 19505 B14R1.598 CCNC(=O)COC1CCCCC1C 7a_100000211207_100000183381 [0,1,0,1,0,0|1,0,0]=3 19506 B14R1.598 CCNC(=O)COC1CCCCC1Cl 34a_100000038908_100000183381 [0,1,0,1,0,0|2,0,0]=4 19507 B14R1.598 CCNC(=O)COC1CCCCC1Cl 7a_100000038908_100000183381 [0,1,0,1,0,0|2,0,0]=4 19508 B14R1.598 CCNC(=O)COC1CCNCC1C 34a_100011998114_100000183381 [0,1,0,1,0,0|2,0,0]=4 19509 B14R1.598 CCNC(=O)COC1CNCCC1C 34a_100000696640_100000183381 [0,1,0,1,0,0|2,0,0]=4 19510 B14R1.598 CCNC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000183381 [0,1,0,1,0,0|2,0,0]=4 19511 B14R1.598 CCNC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000183381 [0,1,0,1,0,0|2,0,0]=4 19512 B14R1.598 CCNC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000183381 [0,1,0,1,0,0|2,0,0]=4 19513 B14R1.598 CCNC(=O)CSC1CCCCC1F 62a_100000183381_100015423560 [0,1,0,1,0,0|2,0,0]=4 19514 B14R1.598 CCNC(=O)CSC1CCCCC1F 62a_100015423560_100000183381 [0,1,0,1,0,0|2,0,0]=4 19515 B14R1.598 CCNC(=O)CSC1CCCCC1O 62a_100000038908_100000183381 [0,1,0,1,0,0|2,0,0]=4 19516 B14R1.598 CCNC(=O)CSC1CCCCC1O 62a_100000183381_100000038908 [0,1,0,1,0,0|2,0,0]=4 19517 B14R1.598 CCNC(=O)NCC1CCCCC1O 2708a_100015525214_100011216029 [0,1,0,1,0,0|2,0,0]=4 19518 B14R1.598 CCNC(=O)NCC1CCCCC1O 273464a_100015525214_100011216029 [0,1,0,1,0,0|2,0,0]=4 19519 B14R1.598 CCNC(=O)NCC1CCCCC1O 512a_100015525214_100011216029 [0,1,0,1,0,0|2,0,0]=4 19520 B14R1.598 CCNC(=O)NCC1CCCCN1C 2708a_100011228421_100015525214 [0,1,0,1,0,0|2,0,0]=4 19521 B14R1.598 CCNC(=O)NCC1CCCCN1C 2708a_100015525214_100011228421 [0,1,0,1,0,0|2,0,0]=4 19522 B14R1.598 CCNC(=O)NCC1CCCCN1C 273464a_100011228421_100015525214 [0,1,0,1,0,0|2,0,0]=4 19523 B14R1.598 CCNC(=O)NCC1CCCCN1C 273464a_100015525214_100011228421 [0,1,0,1,0,0|2,0,0]=4 19524 B14R1.598 CCNC(=O)NCC1CCCCN1C 512a_100011228421_100015525214 [0,1,0,1,0,0|2,0,0]=4 19525 B14R1.598 CCNC(=O)NCC1CCCCN1C 512a_100015525214_100011228421 [0,1,0,1,0,0|2,0,0]=4 19526 B14R1.598 CCOC(=O)CCN1CCCCC1C 2230a_100000211376_100011206558 [0,1,0,1,0,0|0,0,0]=2 19527 B14R1.598 CCOC(=O)CCN1CCCCC1C 269982a_100000211376_100011206558 [0,1,0,1,0,0|0,0,0]=2 19528 B14R1.598 CCOC(=O)CCN1CCCCC1C 34a_100000211376_100000765890 [0,1,0,1,0,0|0,0,0]=2 19529 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100011206558 [0,1,0,1,0,0|1,0,0]=3 19530 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100011206558 [0,1,0,1,0,0|1,0,0]=3 19531 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000765890 [0,1,0,1,0,0|1,0,0]=3 19532 B14R1.598 CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000188475 [0,1,0,1,0,0|0,0,0]=2 19533 B14R1.598 CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000188475 [0,1,0,1,0,0|0,0,0]=2 19534 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000188475 [0,1,0,1,0,0|1,0,0]=3 19535 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000188475 [0,1,0,1,0,0|1,0,0]=3 19536 B14R1.598 CCOC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000188475 [0,1,0,1,0,0|2,0,0]=4 19537 B14R1.598 CCOC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000188475 [0,1,0,1,0,0|2,0,0]=4 19538 B14R1.598 CCOC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000188475 [0,1,0,1,0,0|2,0,0]=4 19539 B14R1.598 CCOC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000188475 [0,1,0,1,0,0|2,0,0]=4 19540 B14R1.598 CCOC(=O)COC1CCCCC1=O 34a_100011214950_100000188475 [0,1,0,1,0,0|1,0,1]=4 19541 B14R1.598 CCOC(=O)COC1CCCCC1C 34a_100000211207_100000188475 [0,1,0,1,0,0|0,0,0]=2 19542 B14R1.598 CCOC(=O)COC1CCCCC1C 7a_100000211207_100000188475 [0,1,0,1,0,0|0,0,0]=2 19543 B14R1.598 CCOC(=O)COC1CCCCC1Cl 34a_100000038908_100000188475 [0,1,0,1,0,0|1,0,0]=3 19544 B14R1.598 CCOC(=O)COC1CCCCC1Cl 7a_100000038908_100000188475 [0,1,0,1,0,0|1,0,0]=3 19545 B14R1.598 CCOC(=O)COC1CCNCC1C 34a_100011998114_100000188475 [0,1,0,1,0,0|1,0,0]=3 19546 B14R1.598 CCOC(=O)COC1CNCCC1C 34a_100000696640_100000188475 [0,1,0,1,0,0|1,0,0]=3 19547 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000188475 [0,1,0,1,0,0|1,0,0]=3 19548 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000188475 [0,1,0,1,0,0|1,0,0]=3 19549 B14R1.598 CCOC(=O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000188475 [0,1,0,1,0,0|2,0,0]=4 19550 B14R1.598 CCOC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000188475 [0,1,0,1,0,0|1,0,0]=3 19551 B14R1.598 CCOC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000188475 [0,1,0,1,0,0|2,0,0]=4 19552 B14R1.598 CCOC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000188475 [0,1,0,1,0,0|2,0,0]=4 19553 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000188475_100000204591 [0,1,0,1,0,0|1,0,1]=4 19554 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000204591_100000188475 [0,1,0,1,0,0|1,0,1]=4 19555 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100000188475_100015423560 [0,1,0,1,0,0|1,0,0]=3 19556 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100015423560_100000188475 [0,1,0,1,0,0|1,0,0]=3 19557 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000038908_100000188475 [0,1,0,1,0,0|1,0,0]=3 19558 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000188475_100000038908 [0,1,0,1,0,0|1,0,0]=3 19559 B14R1.598 CN1CCCCC1CCC(=O)CCF 1458a_100000718493_100011217306 [0,1,0,1,0,0|2,0,0]=4 19560 B14R1.598 CN1CCCCC1CCC(=O)CCO 1458a_100000718493_100000211926 [0,1,0,1,0,0|2,0,0]=4 19561 B14R1.598 CN1CCCCC1CCC(=O)CCO 1458a_100011216618_100000211948 [0,1,0,1,0,0|2,0,0]=4 19562 B14R1.598 CNNC(=O)CCC1CCCCN1C 22a_100016993582_100000718493 [0,1,0,1,0,0|2,0,0]=4 19563 B14R1.598 CNNC(=O)CCN1CCCCC1C 22a_100016993582_100000727554 [0,1,0,1,0,0|2,0,0]=4 19564 B14R1.598 CNNC(=O)COC1CCCCC1C 22a_100016993582_100011223357 [0,1,0,1,0,0|2,0,0]=4 19565 B14R1.598 COCC(=O)CCC1CCCCN1C 1458a_100000210968_100000211948 [0,1,0,1,0,0|2,0,0]=4 19566 B14R1.598 CSCC(=O)CCC1CCCCN1C 1458a_100000184570_100000211948 [0,1,0,1,0,0|2,0,0]=4 19567 B14R1.609 C=COC(=O)CNCCC1CCCC1 2230a_100000739158_100000036128 [0,1,0,1,0,0|0,0,2]=4 19568 B14R1.609 C=COC(=O)CNCCC1CCCC1 34a_100000739158_100000036128 [0,1,0,1,0,0|0,0,2]=4 19569 B14R1.609 C=COC(=O)COCCC1CCCC1 34a_100000749090_100000036128 [0,1,0,1,0,0|0,0,2]=4 19570 B14R1.609 C=COC(=O)CSCCC1CCCC1 62a_100000036128_100000760354 [0,1,0,1,0,0|0,0,2]=4 19571 B14R1.609 C=COC(=O)CSCCC1CCCC1 62a_100000760354_100000036128 [0,1,0,1,0,0|0,0,2]=4 19572 B14R1.609 CC=CC(=O)NCCCC1CCCC1 11a_100000736752_100000210699 [0,1,0,1,0,0|1,0,1]=4 19573 B14R1.609 CC=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000210699 [0,1,0,1,0,0|1,0,1]=4 19574 B14R1.609 CC=CC(=O)NCCCC1CCCC1 240690a_100000736752_100000210699 [0,1,0,1,0,0|1,0,1]=4 19575 B14R1.609 CCCC(=O)CCCCC1OCCO1 1458a_100000211992_100000034956 [0,1,0,1,0,0|2,0,0]=4 19576 B14R1.609 CCCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210303 [0,1,0,1,0,0|2,0,0]=4 19577 B14R1.609 CCCC(=O)CNCCC1CCCC1 2230a_100000739158_100000747444 [0,1,0,1,0,0|1,0,0]=3 19578 B14R1.609 CCCC(=O)COCCC1CCCC1 7a_100000749090_100000747444 [0,1,0,1,0,0|1,0,0]=3 19579 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000747444_100000760354 [0,1,0,1,0,0|1,0,0]=3 19580 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000760354_100000747444 [0,1,0,1,0,0|1,0,0]=3 19581 B14R1.609 CCCC(=O)CSCCN1CCCC1 1458a_200015187850_100000210303 [0,1,0,1,0,0|2,0,0]=4 19582 B14R1.609 CCCC(=O)CSCCN1CCCC1 62a_100000700749_100000747444 [0,1,0,1,0,0|2,0,0]=4 19583 B14R1.609 CCCC(=O)CSCCN1CCCC1 62a_100000747444_100000004467 [0,1,0,1,0,0|2,0,0]=4 19584 B14R1.609 CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000211992 [0,1,0,1,0,0|1,0,0]=3 19585 B14R1.609 CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211992 [0,1,0,1,0,0|1,0,0]=3 19586 B14R1.609 CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211992 [0,1,0,1,0,0|1,0,0]=3 19587 B14R1.609 CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000211992 [0,1,0,1,0,0|1,0,0]=3 19588 B14R1.609 CCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000211992 [0,1,0,1,0,0|2,0,0]=4 19589 B14R1.609 CCCC(=O)NCCOC1CCCC1 11a_100000741755_100000211992 [0,1,0,1,0,0|2,0,0]=4 19590 B14R1.609 CCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000211992 [0,1,0,1,0,0|2,0,0]=4 19591 B14R1.609 CCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000211992 [0,1,0,1,0,0|2,0,0]=4 19592 B14R1.609 CCCC(=O)NCCOC1CCCC1 527a_100000741755_100000211992 [0,1,0,1,0,0|2,0,0]=4 19593 B14R1.609 CCCC(=O)OCNCC1CCCC1 2230a_100000737975_100000034017 [0,1,0,1,0,0|2,0,0]=4 19594 B14R1.609 CCCC(=O)OCNCC1CCCC1 34a_100000737975_100000034017 [0,1,0,1,0,0|2,0,0]=4 19595 B14R1.609 CCCC(=O)OCOCC1CCCC1 34a_100000742336_100000034017 [0,1,0,1,0,0|2,0,0]=4 19596 B14R1.609 CCCC(=O)OCSCC1CCCC1 62a_100000740388_100000034017 [0,1,0,1,0,0|2,0,0]=4 19597 B14R1.609 CCNC(=O)CCCC[C@@H]1CCSS1 11a_100015525214_100009816572 [0,1,0,1,0,0|2,0,0]=4 19598 B14R1.609 CCNC(=O)CCCC[C@@H]1CCSS1 240690a_100015525214_100009816572 [0,1,0,1,0,0|2,0,0]=4 19599 B14R1.609 CCNC(=O)CCCC[C@@H]1CCSS1 527a_100015525214_100009816572 [0,1,0,1,0,0|2,0,0]=4 19600 B14R1.609 CCNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737597 [0,1,0,1,0,0|1,0,0]=3 19601 B14R1.609 CCNC(=O)CCNCC1CCCC1 269862a_100025743525_100000746403 [0,1,0,1,0,0|1,0,0]=3 19602 B14R1.609 CCNC(=O)CCNCC1CCCC1 34a_100025743525_100000740388 [0,1,0,1,0,0|1,0,0]=3 19603 B14R1.609 CCNC(=O)CCNCC1CCOC1 2230a_100000737293_100000737597 [0,1,0,1,0,0|2,0,0]=4 19604 B14R1.609 CCNC(=O)CCNCC1CCOC1 34a_100025743525_100011261433 [0,1,0,1,0,0|2,0,0]=4 19605 B14R1.609 CCNC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000737597 [0,1,0,1,0,0|2,0,0]=4 19606 B14R1.609 CCNC(=O)CCOCC1CCCC1 7a_100000742336_100000737597 [0,1,0,1,0,0|1,0,0]=3 19607 B14R1.609 CCNC(=O)CCOCC1CCCO1 7a_100000210270_100000737597 [0,1,0,1,0,0|2,0,0]=4 19608 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000737597_100000740388 [0,1,0,1,0,0|1,0,0]=3 19609 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000740388_100000737597 [0,1,0,1,0,0|1,0,0]=3 19610 B14R1.609 CCNC(=O)CCSCC1CCCO1 62a_100000203698_100000737597 [0,1,0,1,0,0|2,0,0]=4 19611 B14R1.609 CCNC(=O)CCSCC1CCCO1 62a_100000737597_100000203698 [0,1,0,1,0,0|2,0,0]=4 19612 B14R1.609 CCNC(=O)CCSCC1CCOC1 62a_100000702531_100000737597 [0,1,0,1,0,0|2,0,0]=4 19613 B14R1.609 CCNC(=O)CCSCC1CCOC1 62a_100000737597_100000702531 [0,1,0,1,0,0|2,0,0]=4 19614 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183381 [0,1,0,1,0,0|1,0,0]=3 19615 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100016988866_100000760354 [0,1,0,1,0,0|1,0,0]=3 19616 B14R1.609 CCNC(=O)CNCCC1CCCC1 34a_100000739158_100000183381 [0,1,0,1,0,0|1,0,0]=3 19617 B14R1.609 CCNC(=O)COCCC1CCCC1 34a_100000749090_100000183381 [0,1,0,1,0,0|1,0,0]=3 19618 B14R1.609 CCNC(=O)COCCC1CCCC1 7a_100000749090_100000183381 [0,1,0,1,0,0|1,0,0]=3 19619 B14R1.609 CCNC(=O)COCCC1CCNC1 34a_100016987287_100000183381 [0,1,0,1,0,0|2,0,0]=4 19620 B14R1.609 CCNC(=O)COCCC1CCOC1 34a_100011879284_100000183381 [0,1,0,1,0,0|2,0,0]=4 19621 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000183381_100000760354 [0,1,0,1,0,0|1,0,0]=3 19622 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000760354_100000183381 [0,1,0,1,0,0|1,0,0]=3 19623 B14R1.609 CCNC(=O)CSCCN1CCCC1 11a_100015525214_200015187850 [0,1,0,1,0,0|2,0,0]=4 19624 B14R1.609 CCNC(=O)CSCCN1CCCC1 240690a_100015525214_200015187850 [0,1,0,1,0,0|2,0,0]=4 19625 B14R1.609 CCNC(=O)CSCCN1CCCC1 62a_100000183381_100000004467 [0,1,0,1,0,0|2,0,0]=4 19626 B14R1.609 CCNC(=O)CSCCN1CCCC1 62a_100000700749_100000183381 [0,1,0,1,0,0|2,0,0]=4 19627 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100000736752_100015525214 [0,1,0,1,0,0|1,0,0]=3 19628 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100015525214_100000736752 [0,1,0,1,0,0|1,0,0]=3 19629 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100000736752_100015525214 [0,1,0,1,0,0|1,0,0]=3 19630 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100015525214_100000736752 [0,1,0,1,0,0|1,0,0]=3 19631 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100000736752_100015525214 [0,1,0,1,0,0|1,0,0]=3 19632 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100015525214_100000736752 [0,1,0,1,0,0|1,0,0]=3 19633 B14R1.609 CCNC(=O)NCCCN1CCCC1 2708a_100000204695_100015525214 [0,1,0,1,0,0|2,0,0]=4 19634 B14R1.609 CCNC(=O)NCCCN1CCCC1 2708a_100015525214_100000204695 [0,1,0,1,0,0|2,0,0]=4 19635 B14R1.609 CCNC(=O)NCCCN1CCCC1 273464a_100000204695_100015525214 [0,1,0,1,0,0|2,0,0]=4 19636 B14R1.609 CCNC(=O)NCCCN1CCCC1 273464a_100015525214_100000204695 [0,1,0,1,0,0|2,0,0]=4 19637 B14R1.609 CCNC(=O)NCCOC1CCCC1 2708a_100000741755_100015525214 [0,1,0,1,0,0|2,0,0]=4 19638 B14R1.609 CCNC(=O)NCCOC1CCCC1 2708a_100015525214_100000741755 [0,1,0,1,0,0|2,0,0]=4 19639 B14R1.609 CCNC(=O)NCCOC1CCCC1 273464a_100000741755_100015525214 [0,1,0,1,0,0|2,0,0]=4 19640 B14R1.609 CCNC(=O)NCCOC1CCCC1 273464a_100015525214_100000741755 [0,1,0,1,0,0|2,0,0]=4 19641 B14R1.609 CCNC(=O)NCCOC1CCCC1 512a_100000741755_100015525214 [0,1,0,1,0,0|2,0,0]=4 19642 B14R1.609 CCNC(=O)NCCOC1CCCC1 512a_100015525214_100000741755 [0,1,0,1,0,0|2,0,0]=4 19643 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100016267167 [0,1,0,1,0,0|0,0,2]=4 19644 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 34a_100000211070_100016267167 [0,1,0,1,0,0|0,0,2]=4 19645 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 34a_100000210269_100016267167 [0,1,0,1,0,0|0,0,2]=4 19646 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 7a_100000210269_100016267167 [0,1,0,1,0,0|0,0,2]=4 19647 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100011217020_100016267167 [0,1,0,1,0,0|0,0,2]=4 19648 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100016267167_100000179811 [0,1,0,1,0,0|0,0,2]=4 19649 B14R1.609 CCOC(=O)CCCCN1CC=CC1 269982a_100015195280_100000750268 [0,1,0,1,0,0|0,0,2]=4 19650 B14R1.609 CCOC(=O)CCCCN1CCCC1 2230a_100000188435_100000750268 [0,1,0,1,0,0|0,0,0]=2 19651 B14R1.609 CCOC(=O)CCCCN1CCCC1 269982a_100000188435_100000750268 [0,1,0,1,0,0|0,0,0]=2 19652 B14R1.609 CCOC(=O)CCCCN1CCSC1 2230a_100011215254_100000750268 [0,1,0,1,0,0|1,0,0]=3 19653 B14R1.609 CCOC(=O)CCCCN1CCSC1 269982a_100011215254_100000750268 [0,1,0,1,0,0|1,0,0]=3 19654 B14R1.609 CCOC(=O)CCCNC1CC=CC1 2230a_100015188752_100009991533 [0,1,0,1,0,0|0,0,2]=4 19655 B14R1.609 CCOC(=O)CCCNC1CCCC1 2230a_100000211070_100009991533 [0,1,0,1,0,0|0,0,0]=2 19656 B14R1.609 CCOC(=O)CCCNC1CCCC1 34a_100000211070_100009991533 [0,1,0,1,0,0|0,0,0]=2 19657 B14R1.609 CCOC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100009991533 [0,1,0,1,0,0|1,0,0]=3 19658 B14R1.609 CCOC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100009991533 [0,1,0,1,0,0|1,0,0]=3 19659 B14R1.609 CCOC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100009991533 [0,1,0,1,0,0|1,0,0]=3 19660 B14R1.609 CCOC(=O)CCCOC1CCCC1 34a_100000210269_100009991533 [0,1,0,1,0,0|0,0,0]=2 19661 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100000210269_100011215271 [0,1,0,1,0,0|0,0,0]=2 19662 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100012001163_100000179811 [0,1,0,1,0,0|0,0,0]=2 19663 B14R1.609 CCOC(=O)CCCOC1CCCO1 34a_100000085407_100009991533 [0,1,0,1,0,0|1,0,0]=3 19664 B14R1.609 CCOC(=O)CCCOC1CCOC1 7a_100012001163_100000731011 [0,1,0,1,0,0|1,0,0]=3 19665 B14R1.609 CCOC(=O)CCCOC1CCSC1 7a_100011232664_100011215271 [0,1,0,1,0,0|1,0,0]=3 19666 B14R1.609 CCOC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100009991533 [0,1,0,1,0,0|1,0,0]=3 19667 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100009991533_100000179811 [0,1,0,1,0,0|0,0,0]=2 19668 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100011217020_100009991533 [0,1,0,1,0,0|0,0,0]=2 19669 B14R1.609 CCOC(=O)CCCSC1CCOC1 62a_100009991533_100000690089 [0,1,0,1,0,0|1,0,0]=3 19670 B14R1.609 CCOC(=O)CCNCC1CCCC1 2230a_100000737975_100011206558 [0,1,0,1,0,0|0,0,0]=2 19671 B14R1.609 CCOC(=O)CCNCC1CCCC1 34a_100000737975_100000765890 [0,1,0,1,0,0|0,0,0]=2 19672 B14R1.609 CCOC(=O)CCNCC1CCOC1 2230a_100000737293_100011206558 [0,1,0,1,0,0|1,0,0]=3 19673 B14R1.609 CCOC(=O)CCNCC1CCOC1 34a_100000737293_100000765890 [0,1,0,1,0,0|1,0,0]=3 19674 B14R1.609 CCOC(=O)CCNCC1OCCO1 2230a_100000036311_100011206558 [0,1,0,1,0,0|2,0,0]=4 19675 B14R1.609 CCOC(=O)CCNCC1OCCO1 34a_100000036311_100000765890 [0,1,0,1,0,0|2,0,0]=4 19676 B14R1.609 CCOC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100011206558 [0,1,0,1,0,0|1,0,0]=3 19677 B14R1.609 CCOC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000765890 [0,1,0,1,0,0|1,0,0]=3 19678 B14R1.609 CCOC(=O)CCOCC1CC=CC1 34a_100000688395_100000765890 [0,1,0,1,0,0|0,0,2]=4 19679 B14R1.609 CCOC(=O)CCOCC1CCCC1 34a_100000742336_100000765890 [0,1,0,1,0,0|0,0,0]=2 19680 B14R1.609 CCOC(=O)CCOCC1CCCC1 7a_100000742336_100011206558 [0,1,0,1,0,0|0,0,0]=2 19681 B14R1.609 CCOC(=O)CCOCC1CCCO1 34a_100000210270_100000765890 [0,1,0,1,0,0|1,0,0]=3 19682 B14R1.609 CCOC(=O)CCOCC1CCCO1 7a_100000210270_100011206558 [0,1,0,1,0,0|1,0,0]=3 19683 B14R1.609 CCOC(=O)CCOCC1CCNC1 34a_100000748654_100000765890 [0,1,0,1,0,0|1,0,0]=3 19684 B14R1.609 CCOC(=O)CCOCC1CCOC1 34a_100000740260_100000765890 [0,1,0,1,0,0|1,0,0]=3 19685 B14R1.609 CCOC(=O)CCOCC1COCO1 34a_100011216627_100000765890 [0,1,0,1,0,0|2,0,0]=4 19686 B14R1.609 CCOC(=O)CCOCC1OCCO1 34a_100000087154_100000765890 [0,1,0,1,0,0|2,0,0]=4 19687 B14R1.609 CCOC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000765890 [0,1,0,1,0,0|1,0,0]=3 19688 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000740388_100000765890 [0,1,0,1,0,0|0,0,0]=2 19689 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000765890_100000740388 [0,1,0,1,0,0|0,0,0]=2 19690 B14R1.609 CCOC(=O)CCSCC1CCCO1 62a_100000203698_100000765890 [0,1,0,1,0,0|1,0,0]=3 19691 B14R1.609 CCOC(=O)CCSCC1CCCO1 62a_100000765890_100000203698 [0,1,0,1,0,0|1,0,0]=3 19692 B14R1.609 CCOC(=O)CCSCC1CCOC1 62a_100000702531_100000765890 [0,1,0,1,0,0|1,0,0]=3 19693 B14R1.609 CCOC(=O)CCSCC1CCOC1 62a_100000765890_100000702531 [0,1,0,1,0,0|1,0,0]=3 19694 B14R1.609 CCOC(=O)CCSCC1OCCO1 62a_100000755774_100000765890 [0,1,0,1,0,0|2,0,0]=4 19695 B14R1.609 CCOC(=O)CCSCC1OCCO1 62a_100000765890_100000755774 [0,1,0,1,0,0|2,0,0]=4 19696 B14R1.609 CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000188475 [0,1,0,1,0,0|0,0,0]=2 19697 B14R1.609 CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000188475 [0,1,0,1,0,0|0,0,0]=2 19698 B14R1.609 CCOC(=O)CNCCC1OCCO1 2230a_100000034215_100000188475 [0,1,0,1,0,0|2,0,0]=4 19699 B14R1.609 CCOC(=O)CNCCC1OCCO1 34a_100000034215_100000188475 [0,1,0,1,0,0|2,0,0]=4 19700 B14R1.609 CCOC(=O)COCCC1CCCC1 34a_100000749090_100000188475 [0,1,0,1,0,0|0,0,0]=2 19701 B14R1.609 CCOC(=O)COCCC1CCCC1 7a_100000749090_100000188475 [0,1,0,1,0,0|0,0,0]=2 19702 B14R1.609 CCOC(=O)COCCC1CCNC1 34a_100016987287_100000188475 [0,1,0,1,0,0|1,0,0]=3 19703 B14R1.609 CCOC(=O)COCCC1CCOC1 34a_100011879284_100000188475 [0,1,0,1,0,0|1,0,0]=3 19704 B14R1.609 CCOC(=O)COCCN1CCCC1 2230a_100000188435_100000088970 [0,1,0,1,0,0|1,0,0]=3 19705 B14R1.609 CCOC(=O)COCCN1CCCC1 269982a_100000188435_100000088970 [0,1,0,1,0,0|1,0,0]=3 19706 B14R1.609 CCOC(=O)COCCN1CCSC1 2230a_100011215254_100000088970 [0,1,0,1,0,0|2,0,0]=4 19707 B14R1.609 CCOC(=O)COCCN1CCSC1 269982a_100011215254_100000088970 [0,1,0,1,0,0|2,0,0]=4 19708 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000188475_100000760354 [0,1,0,1,0,0|0,0,0]=2 19709 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000188475 [0,1,0,1,0,0|0,0,0]=2 19710 B14R1.609 CCOC(=O)CSCCC1OCCO1 62a_100000188475_100000740749 [0,1,0,1,0,0|2,0,0]=4 19711 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000188475_100000004467 [0,1,0,1,0,0|1,0,0]=3 19712 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000700749_100000188475 [0,1,0,1,0,0|1,0,0]=3 19713 B14R1.609 CCOC(=O)NCCOC1CCCC1 34a_100000158857_100000179811 [0,1,0,1,0,0|1,0,0]=3 19714 B14R1.609 CCOC(=O)NCCOC1CCCC1 7a_100000210269_200011445536 [0,1,0,1,0,0|1,0,0]=3 19715 B14R1.609 CCOC(=O)NCCOC1CCOC1 34a_100000158857_100000690089 [0,1,0,1,0,0|2,0,0]=4 19716 B14R1.609 CCOC(=O)NCCOC1CCSC1 7a_100011232664_200011445536 [0,1,0,1,0,0|2,0,0]=4 19717 B14R1.609 CCOC(=O)NCCSC1CCCC1 62a_100011217020_200011445536 [0,1,0,1,0,0|1,0,0]=3 19718 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,1,0,1,0,0|1,0,0]=3 19719 B14R1.609 CCOC(=O)OCSCC1CCCO1 62a_100000203698_100000075025 [0,1,0,1,0,0|2,0,0]=4 19720 B14R1.609 CCOC(=O)OCSCC1CCOC1 62a_100000702531_100000075025 [0,1,0,1,0,0|2,0,0]=4 19721 B14R1.609 CNNC(=O)NCCCC1CCCC1 273464a_100000736752_100016993582 [0,1,0,1,0,0|2,0,0]=4 19722 B14R1.609 CNNC(=O)NCCCC1CCCC1 512a_100000736752_100016993582 [0,1,0,1,0,0|2,0,0]=4 19723 B14R1.609 CNNC(=O)NCCCC1CCCC1 512a_100016993582_100000736752 [0,1,0,1,0,0|2,0,0]=4 19724 B14R1.609 COCC(=O)NCCCC1CCCC1 11a_100000736752_100000210968 [0,1,0,1,0,0|2,0,0]=4 19725 B14R1.609 COCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210968 [0,1,0,1,0,0|2,0,0]=4 19726 B14R1.609 COCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210968 [0,1,0,1,0,0|2,0,0]=4 19727 B14R1.609 COCC(=O)NCCCC1CCCC1 527a_100000736752_100000210968 [0,1,0,1,0,0|2,0,0]=4 19728 B14R1.609 CSCC(=O)NCCCC1CCCC1 11a_100000736752_100000184570 [0,1,0,1,0,0|2,0,0]=4 19729 B14R1.609 CSCC(=O)NCCCC1CCCC1 1626a_100000736752_100000184570 [0,1,0,1,0,0|2,0,0]=4 19730 B14R1.609 CSCC(=O)NCCCC1CCCC1 240690a_100000736752_100000184570 [0,1,0,1,0,0|2,0,0]=4 19731 B14R1.609 CSCC(=O)NCCCC1CCCC1 527a_100000736752_100000184570 [0,1,0,1,0,0|2,0,0]=4 19732 B14R1.609 O=C(CCO)NCCCC1CCCC1 240690a_100000736752_100011216618 [0,1,0,1,0,0|2,0,0]=4 19733 B14R1.609 O=C(CNCCC1CCCC1)NCO 2230a_100000739158_100000185155 [0,1,0,1,0,0|2,0,0]=4 19734 B14R1.609 O=C(CNCCC1CCCC1)NCO 34a_100000739158_100000185155 [0,1,0,1,0,0|2,0,0]=4 19735 B14R1.609 O=C(COCCC1CCCC1)NCO 34a_100000749090_100000185155 [0,1,0,1,0,0|2,0,0]=4 19736 B14R1.609 O=C(COCCC1CCCC1)NCO 7a_100000749090_100000185155 [0,1,0,1,0,0|2,0,0]=4 19737 B14R1.609 O=C(CSCCC1CCCC1)NCO 62a_100000185155_100000760354 [0,1,0,1,0,0|2,0,0]=4 19738 B14R1.609 O=C(CSCCC1CCCC1)NCO 62a_100000760354_100000185155 [0,1,0,1,0,0|2,0,0]=4 19739 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 34a_100000744939_100016267167 [0,1,0,1,0,0|0,0,2]=4 19740 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 7a_100000744939_100016267167 [0,1,0,1,0,0|0,0,2]=4 19741 B14R1.611 CCOC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000750268 [0,1,0,1,0,0|1,0,0]=3 19742 B14R1.611 CCOC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000750268 [0,1,0,1,0,0|1,0,0]=3 19743 B14R1.611 CCOC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000750268 [0,1,0,1,0,0|1,0,0]=3 19744 B14R1.611 CCOC(=O)CCCOCC1CC1C 34a_100000744939_100009991533 [0,1,0,1,0,0|0,0,0]=2 19745 B14R1.611 CCOC(=O)CCCOCC1CC1C 7a_100000744939_100011215271 [0,1,0,1,0,0|0,0,0]=2 19746 B14R1.611 CCOC(=O)COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000088970 [0,1,0,1,0,0|2,0,0]=4 19747 B14R1.611 CCOC(=O)COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000088970 [0,1,0,1,0,0|2,0,0]=4 19748 B14R1.611 CCOC(=O)COCCN[C@@H]1C[C@H]1F 34a_100025746932_100000088970 [0,1,0,1,0,0|2,0,0]=4 19749 B14R1.611 CCOC(=O)NCCOCC1CC1C 7a_100000744939_200011445536 [0,1,0,1,0,0|1,0,0]=3 19750 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100016267167 [0,1,0,1,0,0|0,0,2]=4 19751 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 34a_100000738700_100016267167 [0,1,0,1,0,0|0,0,2]=4 19752 B14R1.612 CCOC(=O)/C=C/COCC1CCC1 34a_100000760304_100016267167 [0,1,0,1,0,0|0,0,2]=4 19753 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100000763275_100016267167 [0,1,0,1,0,0|0,0,2]=4 19754 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100016267167_100000763275 [0,1,0,1,0,0|0,0,2]=4 19755 B14R1.612 CCOC(=O)CCCCCN1CCC1 269982a_100000754969_100000755133 [0,1,0,1,0,0|0,0,0]=2 19756 B14R1.612 CCOC(=O)CCCCNC1CCC1 2230a_100000749019_100000750268 [0,1,0,1,0,0|0,0,0]=2 19757 B14R1.612 CCOC(=O)CCCCNC1CCC1 34a_100000749019_100000750268 [0,1,0,1,0,0|0,0,0]=2 19758 B14R1.612 CCOC(=O)CCCCNC1COC1 2230a_100016991112_100000750268 [0,1,0,1,0,0|1,0,0]=3 19759 B14R1.612 CCOC(=O)CCCCOC1CCC1 34a_100000748187_100000750268 [0,1,0,1,0,0|0,0,0]=2 19760 B14R1.612 CCOC(=O)CCCCOC1CSC1 7a_100000072292_100000750268 [0,1,0,1,0,0|1,0,0]=3 19761 B14R1.612 CCOC(=O)CCCCSC1CCC1 62a_100000750268_100000749161 [0,1,0,1,0,0|0,0,0]=2 19762 B14R1.612 CCOC(=O)CCCCSC1COC1 62a_100000750268_100009818527 [0,1,0,1,0,0|1,0,0]=3 19763 B14R1.612 CCOC(=O)CCCNCC1CCC1 2230a_100000738700_100009991533 [0,1,0,1,0,0|0,0,0]=2 19764 B14R1.612 CCOC(=O)CCCNCC1CCC1 34a_100000738700_100009991533 [0,1,0,1,0,0|0,0,0]=2 19765 B14R1.612 CCOC(=O)CCCNCC1COC1 2230a_100015281925_100009991533 [0,1,0,1,0,0|1,0,0]=3 19766 B14R1.612 CCOC(=O)CCCNCC1COC1 34a_100015281925_100009991533 [0,1,0,1,0,0|1,0,0]=3 19767 B14R1.612 CCOC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100009991533 [0,1,0,1,0,0|1,0,0]=3 19768 B14R1.612 CCOC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100009991533 [0,1,0,1,0,0|1,0,0]=3 19769 B14R1.612 CCOC(=O)CCCOCC1CCC1 34a_100000760304_100009991533 [0,1,0,1,0,0|0,0,0]=2 19770 B14R1.612 CCOC(=O)CCCOCC1CCC1 7a_100012001163_100000763275 [0,1,0,1,0,0|0,0,0]=2 19771 B14R1.612 CCOC(=O)CCCOCC1CCO1 34a_100000039022_100009991533 [0,1,0,1,0,0|1,0,0]=3 19772 B14R1.612 CCOC(=O)CCCOCC1CCO1 7a_100012001163_100000103362 [0,1,0,1,0,0|1,0,0]=3 19773 B14R1.612 CCOC(=O)CCCOCC1CNC1 34a_100016987283_100009991533 [0,1,0,1,0,0|1,0,0]=3 19774 B14R1.612 CCOC(=O)CCCOCC1COC1 34a_100000060846_100009991533 [0,1,0,1,0,0|1,0,0]=3 19775 B14R1.612 CCOC(=O)CCCOCC1COC1 7a_100012001163_100010264016 [0,1,0,1,0,0|1,0,0]=3 19776 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100000763275_100009991533 [0,1,0,1,0,0|0,0,0]=2 19777 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100009991533_100000763275 [0,1,0,1,0,0|0,0,0]=2 19778 B14R1.612 CCOC(=O)CCCSCC1CCO1 62a_100000103362_100009991533 [0,1,0,1,0,0|1,0,0]=3 19779 B14R1.612 CCOC(=O)CCCSCC1CCO1 62a_100009991533_100000103362 [0,1,0,1,0,0|1,0,0]=3 19780 B14R1.612 CCOC(=O)CCCSCC1COC1 62a_100009991533_100010264016 [0,1,0,1,0,0|1,0,0]=3 19781 B14R1.612 CCOC(=O)CCCSCC1COC1 62a_100010264016_100009991533 [0,1,0,1,0,0|1,0,0]=3 19782 B14R1.612 CCOC(=O)CCOCCC1COC1 34a_100009855314_100000765890 [0,1,0,1,0,0|1,0,0]=3 19783 B14R1.612 CCOC(=O)COCCCN1CCC1 269982a_100000754969_100009893628 [0,1,0,1,0,0|1,0,0]=3 19784 B14R1.612 CCOC(=O)COCCNC1CCC1 2230a_100000749019_100000088970 [0,1,0,1,0,0|1,0,0]=3 19785 B14R1.612 CCOC(=O)COCCNC1CCC1 34a_100000749019_100000088970 [0,1,0,1,0,0|1,0,0]=3 19786 B14R1.612 CCOC(=O)COCCNC1COC1 2230a_100016991112_100000088970 [0,1,0,1,0,0|2,0,0]=4 19787 B14R1.612 CCOC(=O)COCCOC1CCC1 34a_100000748187_100000088970 [0,1,0,1,0,0|1,0,0]=3 19788 B14R1.612 CCOC(=O)COCCOC1CSC1 7a_100000072292_100000088970 [0,1,0,1,0,0|2,0,0]=4 19789 B14R1.612 CCOC(=O)COCCSC1CCC1 62a_100000088970_100000749161 [0,1,0,1,0,0|1,0,0]=3 19790 B14R1.612 CCOC(=O)COCCSC1COC1 62a_100000088970_100009818527 [0,1,0,1,0,0|2,0,0]=4 19791 B14R1.612 CCOC(=O)CSCCOC1COC1 7a_200000230590_100009818527 [0,1,0,1,0,0|2,0,0]=4 19792 B14R1.612 CCOC(=O)NCCOCC1CCC1 34a_100000158857_100000763275 [0,1,0,1,0,0|1,0,0]=3 19793 B14R1.612 CCOC(=O)NCCOCC1CCO1 34a_100000158857_100000103362 [0,1,0,1,0,0|2,0,0]=4 19794 B14R1.612 CCOC(=O)NCCOCC1COC1 34a_100000158857_100010264016 [0,1,0,1,0,0|2,0,0]=4 19795 B14R1.612 CCOC(=O)NCCSCC1CCC1 62a_100000763275_200011445536 [0,1,0,1,0,0|1,0,0]=3 19796 B14R1.612 CCOC(=O)NCCSCC1CCO1 62a_100000103362_200011445536 [0,1,0,1,0,0|2,0,0]=4 19797 B14R1.612 CCOC(=O)NCCSCC1COC1 62a_100010264016_200011445536 [0,1,0,1,0,0|2,0,0]=4 19798 B14R1.635 C#CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000688953 [0,1,0,1,0,0|0,0,2]=4 19799 B14R1.635 C#CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000730999 [0,1,0,1,0,0|0,0,2]=4 19800 B14R1.635 C#CCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000038162 [0,1,0,1,0,0|0,0,2]=4 19801 B14R1.635 C/C=C/CN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100102629194 [0,1,0,1,0,0|0,0,2]=4 19802 B14R1.635 C=CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000754431 [0,1,0,1,0,0|0,0,2]=4 19803 B14R1.635 C=CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000754431 [0,1,0,1,0,0|0,0,2]=4 19804 B14R1.635 C=CCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100015514636 [0,1,0,1,0,0|0,0,2]=4 19805 B14R1.635 CC#CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000748600 [0,1,0,1,0,0|0,0,2]=4 19806 B14R1.635 CC=CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000070051 [0,1,0,1,0,0|0,0,2]=4 19807 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210211 [0,1,0,1,0,0|1,0,0]=3 19808 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210211 [0,1,0,1,0,0|1,0,0]=3 19809 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210210 [0,1,0,1,0,0|1,0,0]=3 19810 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210211 [0,1,0,1,0,0|0,0,0]=2 19811 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210211 [0,1,0,1,0,0|0,0,0]=2 19812 B14R1.635 CCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210211 [0,1,0,1,0,0|1,0,0]=3 19813 B14R1.635 CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210303 [0,1,0,1,0,0|0,0,0]=2 19814 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCF 2230a_100020641767_100011934791 [0,1,0,1,0,0|2,0,0]=4 19815 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCF 269982a_100020641767_100011934791 [0,1,0,1,0,0|2,0,0]=4 19816 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCF 34a_100020641767_100011934791 [0,1,0,1,0,0|2,0,0]=4 19817 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCO 2230a_100020641767_100000230001 [0,1,0,1,0,0|2,0,0]=4 19818 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCO 269982a_100020641767_100011215043 [0,1,0,1,0,0|2,0,0]=4 19819 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCO 34a_100020641767_100000230001 [0,1,0,1,0,0|2,0,0]=4 19820 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCOC 2230a_100020641767_100011201679 [0,1,0,1,0,0|2,0,0]=4 19821 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCOC 269982a_100020641767_100000233755 [0,1,0,1,0,0|2,0,0]=4 19822 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCOC 34a_100020641767_100011201679 [0,1,0,1,0,0|2,0,0]=4 19823 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCSC 2230a_100020641767_100000751147 [0,1,0,1,0,0|2,0,0]=4 19824 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCSC 269982a_100020641767_100000212216 [0,1,0,1,0,0|2,0,0]=4 19825 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCSC 34a_100020641767_100000212216 [0,1,0,1,0,0|2,0,0]=4 19826 B14R1.635 CCNC(=O)[C@@H]1CCCN1COCC 269982a_100020641767_100000739092 [0,1,0,1,0,0|2,0,0]=4 19827 B14R1.635 CCNN=C1CCCC1C(=O)OCC 4a_100000756455_100000183750 [0,1,0,1,0,0|1,0,1]=4 19828 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCC#N 2230a_100000703725_100011215226 [0,1,0,1,0,0|1,0,1]=4 19829 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCC#N 269982a_100000703725_100011215226 [0,1,0,1,0,0|1,0,1]=4 19830 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCF 2230a_100000703725_100011934791 [0,1,0,1,0,0|1,0,0]=3 19831 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCF 269982a_100000703725_100011934791 [0,1,0,1,0,0|1,0,0]=3 19832 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCO 2230a_100000703725_100000230001 [0,1,0,1,0,0|1,0,0]=3 19833 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCO 269982a_100000703725_100011215043 [0,1,0,1,0,0|1,0,0]=3 19834 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCOC 2230a_100000703725_100011201679 [0,1,0,1,0,0|1,0,0]=3 19835 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCOC 269982a_100000703725_100000233755 [0,1,0,1,0,0|1,0,0]=3 19836 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCSC 2230a_100000703725_100000751147 [0,1,0,1,0,0|1,0,0]=3 19837 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCSC 269982a_100000703725_100000212216 [0,1,0,1,0,0|1,0,0]=3 19838 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCC#N 7a_200015395474_100011215382 [0,1,0,1,0,0|1,0,1]=4 19839 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCC=O 7a_200015395474_200015260668 [0,1,0,1,0,0|1,0,1]=4 19840 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCCF 7a_200015395474_100011217306 [0,1,0,1,0,0|1,0,0]=3 19841 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCCO 7a_200015395474_100000211926 [0,1,0,1,0,0|1,0,0]=3 19842 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCCF 269982a_100016989239_100011934791 [0,1,0,1,0,0|2,0,0]=4 19843 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCCO 269982a_100016989239_100011215043 [0,1,0,1,0,0|2,0,0]=4 19844 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCOC 269982a_100016989239_100000233755 [0,1,0,1,0,0|2,0,0]=4 19845 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCSC 269982a_100016989239_100000212216 [0,1,0,1,0,0|2,0,0]=4 19846 B14R1.635 CCOCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000739092 [0,1,0,1,0,0|1,0,0]=3 19847 B14R1.635 CCOCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000739092 [0,1,0,1,0,0|2,0,0]=4 19848 B14R1.774 CCCCNCC1CCC(=CC1C)C 269862a_100000102301_100000075207 [0,1,0,1,0,0|2,0,0]=4 19849 B14R1.898 CCCCCN1CCCC(C1)OCC 2230a_100000745229_100000210326 [0,1,0,1,0,0|1,0,1]=4 19850 B14R1.898 CCCCCN1CCCC(C1)OCC 269982a_100000745229_100000210215 [0,1,0,1,0,0|1,0,1]=4 19851 B14R1.898 CCCCCN1CCCC(C1)OCC 34a_100000745229_100000718602 [0,1,0,1,0,0|1,0,1]=4 19852 B14R1.947 CCCC(=O)NCC1CCCN1CC 11a_100000211693_100000211992 [0,1,0,1,0,0|2,0,0]=4 19853 B14R1.947 CCCC(=O)NCC1CCCN1CC 1626a_100000211693_100000211992 [0,1,0,1,0,0|2,0,0]=4 19854 B14R1.947 CCCC(=O)NCC1CCCN1CC 240690a_100000211693_100000211992 [0,1,0,1,0,0|2,0,0]=4 19855 B14R1.947 CCCC(=O)NCC1CCCN1CC 527a_100000211693_100000211992 [0,1,0,1,0,0|2,0,0]=4 19856 B14R1.947 CCCC(=O)OCN1CCCC1CC 2230a_100000754278_100000034017 [0,1,0,1,0,0|2,0,0]=4 19857 B14R1.947 CCCC(=O)OCN1CCCC1CC 269982a_100000754278_100000034017 [0,1,0,1,0,0|2,0,0]=4 19858 B14R1.947 CCCC(=O)OCN1CCCC1CC 34a_100000754278_100000034017 [0,1,0,1,0,0|2,0,0]=4 19859 B14R1.947 CCNC(=O)CCN1CCCC1CC 2230a_100000754278_100000737597 [0,1,0,1,0,0|1,0,0]=3 19860 B14R1.947 CCNC(=O)CCN1CCCC1CC 269982a_100000754278_100000737597 [0,1,0,1,0,0|1,0,0]=3 19861 B14R1.947 CCNC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000737597 [0,1,0,1,0,0|2,0,0]=4 19862 B14R1.947 CCNC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000737597 [0,1,0,1,0,0|2,0,0]=4 19863 B14R1.947 CCNC(=O)CNC1CCCC1CC 270004a_100016988866_100000749056 [0,1,0,1,0,0|1,0,0]=3 19864 B14R1.947 CCNC(=O)NCC1CCCN1CC 2708a_100015525214_100000211693 [0,1,0,1,0,0|2,0,0]=4 19865 B14R1.947 CCNC(=O)NCC1CCCN1CC 273464a_100000211693_100015525214 [0,1,0,1,0,0|2,0,0]=4 19866 B14R1.947 CCNC(=O)NCC1CCCN1CC 273464a_100015525214_100000211693 [0,1,0,1,0,0|2,0,0]=4 19867 B14R1.947 CCNC(=O)NCC1CCCN1CC 512a_100000211693_100015525214 [0,1,0,1,0,0|2,0,0]=4 19868 B14R1.947 CCNC(=O)NCC1CCCN1CC 512a_100015525214_100000211693 [0,1,0,1,0,0|2,0,0]=4 19869 B14R1.947 CCOC(=O)CCN1CC=CC1CC 2230a_100000730860_100011206558 [0,1,0,1,0,0|0,0,2]=4 19870 B14R1.947 CCOC(=O)CCN1CC=CC1CC 269982a_100000730860_100011206558 [0,1,0,1,0,0|0,0,2]=4 19871 B14R1.947 CCOC(=O)CCN1CC=CC1CC 34a_100000730860_100000765890 [0,1,0,1,0,0|0,0,2]=4 19872 B14R1.947 CCOC(=O)CCN1CCCC1C#N 2230a_100000701862_100011206558 [0,1,0,1,0,0|1,0,1]=4 19873 B14R1.947 CCOC(=O)CCN1CCCC1CC 2230a_100000754278_100011206558 [0,1,0,1,0,0|0,0,0]=2 19874 B14R1.947 CCOC(=O)CCN1CCCC1CC 269982a_100000754278_100011206558 [0,1,0,1,0,0|0,0,0]=2 19875 B14R1.947 CCOC(=O)CCN1CCCC1CC 34a_100000754278_100000765890 [0,1,0,1,0,0|0,0,0]=2 19876 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1C#N 2230a_106645074975_100011206558 [0,1,0,1,0,0|1,0,1]=4 19877 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1C#N 269982a_106645074975_100011206558 [0,1,0,1,0,0|1,0,1]=4 19878 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100011206558 [0,1,0,1,0,0|1,0,0]=3 19879 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100011206558 [0,1,0,1,0,0|1,0,0]=3 19880 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000765890 [0,1,0,1,0,0|1,0,0]=3 19881 B14R1.947 CCOC(=O)CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000188475 [0,1,0,1,0,0|1,0,1]=4 19882 B14R1.947 CCOC(=O)CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000188475 [0,1,0,1,0,0|1,0,1]=4 19883 B14R1.948 CCCC(=O)NCCC1CCCN1C 240690a_100011219722_100000211992 [0,1,0,1,0,0|2,0,0]=4 19884 B14R1.948 CCCC(=O)NCCC1CCCN1C 527a_100011219722_100000211992 [0,1,0,1,0,0|2,0,0]=4 19885 B14R1.948 CCCC(=O)OCOC1CCCC1C 34a_100011216460_100000034017 [0,1,0,1,0,0|2,0,0]=4 19886 B14R1.948 CCCC(C)CCOC1CCCC1=O 34a_100011217855_100000709159 [0,1,0,1,0,0|2,0,0]=4 19887 B14R1.948 CCCC(C)CCOC1CCCC1=O 7a_100011217855_100000211823 [0,1,0,1,0,0|2,0,0]=4 19888 B14R1.948 CCCC(C)CCOC1CCOC1=O 34a_100011217855_100000211211 [0,1,0,1,0,0|1,0,0]=3 19889 B14R1.948 CCCC(C)CCOC1CCOC1=O 7a_100011217855_100000211211 [0,1,0,1,0,0|1,0,0]=3 19890 B14R1.948 CCCC(C)COCC1CCNC1=O 34a_100000133458_100011216630 [0,1,0,1,0,0|2,0,0]=4 19891 B14R1.948 CCC[C@H](N)CCOC1CCCC1=O 34a_100015193777_100000709159 [0,1,0,1,0,0|2,0,0]=4 19892 B14R1.948 CCC[C@H](N)CCOC1CCOC1=O 34a_100015193777_100000211211 [0,1,0,1,0,0|1,0,0]=3 19893 B14R1.948 CCNC(=O)CCNC1CCCC1C 269862a_100025743525_100000752053 [0,1,0,1,0,0|1,0,0]=3 19894 B14R1.948 CCNC(=O)CCNC1CCOC1C 270004a_100025743525_100000691750 [0,1,0,1,0,0|2,0,0]=4 19895 B14R1.948 CCNC(=O)CCOC1CCCC1C 7a_100011216460_100000737597 [0,1,0,1,0,0|1,0,0]=3 19896 B14R1.948 CCNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000737597_200016002552 [0,1,0,1,0,0|2,0,0]=4 19897 B14R1.948 CCNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000737597 [0,1,0,1,0,0|2,0,0]=4 19898 B14R1.948 CCNC(=O)COCC1CCCN1C 34a_100000743107_100000183381 [0,1,0,1,0,0|2,0,0]=4 19899 B14R1.948 CCNC(=O)NCCC1CCCN1C 2708a_100011219722_100015525214 [0,1,0,1,0,0|2,0,0]=4 19900 B14R1.948 CCNC(=O)NCCC1CCCN1C 2708a_100015525214_100011219722 [0,1,0,1,0,0|2,0,0]=4 19901 B14R1.948 CCNC(=O)NCCC1CCCN1C 273464a_100011219722_100015525214 [0,1,0,1,0,0|2,0,0]=4 19902 B14R1.948 CCNC(=O)NCCC1CCCN1C 273464a_100015525214_100011219722 [0,1,0,1,0,0|2,0,0]=4 19903 B14R1.948 CCNC(=O)NCCC1CCCN1C 512a_100011219722_100015525214 [0,1,0,1,0,0|2,0,0]=4 19904 B14R1.948 CCNC(=O)NCCC1CCCN1C 512a_100015525214_100011219722 [0,1,0,1,0,0|2,0,0]=4 19905 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100016267167 [0,1,0,1,0,0|0,0,2]=4 19906 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100016267167 [0,1,0,1,0,0|0,0,2]=4 19907 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100016267167 [0,1,0,1,0,0|0,0,2]=4 19908 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100016267167 [0,1,0,1,0,0|0,0,2]=4 19909 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100016267167 [0,1,0,1,0,0|0,0,2]=4 19910 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100009991533 [0,1,0,1,0,0|0,0,0]=2 19911 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100009991533 [0,1,0,1,0,0|0,0,0]=2 19912 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100009991533 [0,1,0,1,0,0|0,0,0]=2 19913 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100009991533 [0,1,0,1,0,0|0,0,0]=2 19914 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100009991533 [0,1,0,1,0,0|0,0,0]=2 19915 B14R1.948 CCOC(=O)CCCN1CCSC1C 2230a_200011216479_100009991533 [0,1,0,1,0,0|1,0,0]=3 19916 B14R1.948 CCOC(=O)CCCN1CCSC1C 269982a_200011216479_100009991533 [0,1,0,1,0,0|1,0,0]=3 19917 B14R1.948 CCOC(=O)CCCN1CCSC1C 34a_200011216479_100009991533 [0,1,0,1,0,0|1,0,0]=3 19918 B14R1.948 CCOC(=O)CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011206558 [0,1,0,1,0,0|2,0,0]=4 19919 B14R1.948 CCOC(=O)CCOC1CCCC1=O 34a_200000719330_100000765890 [0,1,0,1,0,0|1,0,1]=4 19920 B14R1.948 CCOC(=O)CCOC1CCCC1C 34a_100011216460_100000765890 [0,1,0,1,0,0|0,0,0]=2 19921 B14R1.948 CCOC(=O)CCOC1CCCC1C 7a_100011216460_100011206558 [0,1,0,1,0,0|0,0,0]=2 19922 B14R1.948 CCOC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000765890 [0,1,0,1,0,0|1,0,0]=3 19923 B14R1.948 CCOC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000765890 [0,1,0,1,0,0|1,0,0]=3 19924 B14R1.948 CCOC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000765890 [0,1,0,1,0,0|1,0,0]=3 19925 B14R1.948 CCOC(=O)CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000765890 [0,1,0,1,0,0|2,0,0]=4 19926 B14R1.948 CCOC(=O)CCSC1CCCC1=O 62a_100000211823_100000765890 [0,1,0,1,0,0|1,0,1]=4 19927 B14R1.948 CCOC(=O)CCSC1CCCC1=O 62a_100000765890_100000211823 [0,1,0,1,0,0|1,0,1]=4 19928 B14R1.948 CCOC(=O)CCSC1COCC1O 62a_100000765890_200000725654 [0,1,0,1,0,0|2,0,0]=4 19929 B14R1.948 CCOC(=O)CCSC1COCC1O 62a_200000725654_100000765890 [0,1,0,1,0,0|2,0,0]=4 19930 B14R1.948 CCOC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000765890_200016002552 [0,1,0,1,0,0|1,0,0]=3 19931 B14R1.948 CCOC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000765890 [0,1,0,1,0,0|1,0,0]=3 19932 B14R1.948 CCOC(=O)COCC1CCCN1C 34a_100000743107_100000188475 [0,1,0,1,0,0|1,0,0]=3 19933 B14R1.948 CCOC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_200011445536 [0,1,0,1,0,0|1,0,0]=3 19934 B14R1.948 CCOC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_200011445536 [0,1,0,1,0,0|1,0,0]=3 19935 B14R1.948 CCOC(=O)NCCN1CCSC1C 269982a_200011216479_200011445536 [0,1,0,1,0,0|2,0,0]=4 19936 B14R1.948 CCOC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000075025 [0,1,0,1,0,0|2,0,0]=4 19937 B14R1.955 CCNC(=O)CCNCCCC1CO1 34a_100025743525_100000733510 [0,1,0,1,0,0|2,0,0]=4 19938 B14R1.955 CCNC(=O)CCSCCCC1CO1 62a_100000733510_100000737597 [0,1,0,1,0,0|2,0,0]=4 19939 B14R1.955 CCNC(=O)CCSCCCC1CO1 62a_100000737597_100000733510 [0,1,0,1,0,0|2,0,0]=4 19940 B14R1.955 CCOC(=O)/C=C/CNCCC1CC1 34a_100000764129_100016267167 [0,1,0,1,0,0|0,0,2]=4 19941 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 34a_100000754188_100016267167 [0,1,0,1,0,0|0,0,2]=4 19942 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 7a_100000754188_100016267167 [0,1,0,1,0,0|0,0,2]=4 19943 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100000764125_100016267167 [0,1,0,1,0,0|0,0,2]=4 19944 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100016267167_100000764125 [0,1,0,1,0,0|0,0,2]=4 19945 B14R1.955 CCOC(=O)CCCCCNC1CC1 34a_100000212008_100000755133 [0,1,0,1,0,0|0,0,0]=2 19946 B14R1.955 CCOC(=O)CCCCCSC1CC1 62a_100000755133_100000211595 [0,1,0,1,0,0|0,0,0]=2 19947 B14R1.955 CCOC(=O)CCCCNCC1CC1 2230a_100000735609_100000750268 [0,1,0,1,0,0|0,0,0]=2 19948 B14R1.955 CCOC(=O)CCCCNCC1CC1 34a_100000735609_100000750268 [0,1,0,1,0,0|0,0,0]=2 19949 B14R1.955 CCOC(=O)CCCCOCC1CC1 34a_100000211283_100000750268 [0,1,0,1,0,0|0,0,0]=2 19950 B14R1.955 CCOC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000750268 [0,1,0,1,0,0|1,0,0]=3 19951 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000750268_100000742324 [0,1,0,1,0,0|0,0,0]=2 19952 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000756562_100000750268 [0,1,0,1,0,0|0,0,0]=2 19953 B14R1.955 CCOC(=O)CCCCSCC1CO1 62a_100000750268_102125554688 [0,1,0,1,0,0|1,0,0]=3 19954 B14R1.955 CCOC(=O)CCCCSCC1CO1 62a_102125554688_100000750268 [0,1,0,1,0,0|1,0,0]=3 19955 B14R1.955 CCOC(=O)CCCCSCC1CS1 62a_100000031435_100000750268 [0,1,0,1,0,0|1,0,0]=3 19956 B14R1.955 CCOC(=O)CCCCSCC1CS1 62a_100000750268_100000031435 [0,1,0,1,0,0|1,0,0]=3 19957 B14R1.955 CCOC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000750268 [0,1,0,1,0,0|1,0,0]=3 19958 B14R1.955 CCOC(=O)CCCCSC[C@@H]1CO1 62a_100000750268_100000745022 [0,1,0,1,0,0|1,0,0]=3 19959 B14R1.955 CCOC(=O)CCCNCCC1CC1 34a_100000764129_100009991533 [0,1,0,1,0,0|0,0,0]=2 19960 B14R1.955 CCOC(=O)CCCOCCC1CC1 34a_100000754188_100009991533 [0,1,0,1,0,0|0,0,0]=2 19961 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100000754188_100011215271 [0,1,0,1,0,0|0,0,0]=2 19962 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100012001163_100000764125 [0,1,0,1,0,0|0,0,0]=2 19963 B14R1.955 CCOC(=O)CCCOCCC1CO1 7a_100012001163_100000732470 [0,1,0,1,0,0|1,0,0]=3 19964 B14R1.955 CCOC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100009991533 [0,1,0,1,0,0|1,0,0]=3 19965 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100000764125_100009991533 [0,1,0,1,0,0|0,0,0]=2 19966 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100009991533_100000764125 [0,1,0,1,0,0|0,0,0]=2 19967 B14R1.955 CCOC(=O)CCCSCCC1CO1 62a_100000732470_100009991533 [0,1,0,1,0,0|1,0,0]=3 19968 B14R1.955 CCOC(=O)CCCSCCC1CO1 62a_100009991533_100000732470 [0,1,0,1,0,0|1,0,0]=3 19969 B14R1.955 CCOC(=O)CCOCC#CC1CC1 34a_100000083941_100000765890 [0,1,0,1,0,0|0,0,2]=4 19970 B14R1.955 CCOC(=O)CCOCC#CC1CC1 7a_100000083941_100011206558 [0,1,0,1,0,0|0,0,2]=4 19971 B14R1.955 CCOC(=O)CCOCCNC1CC1 34a_100000738766_100000765890 [0,1,0,1,0,0|1,0,0]=3 19972 B14R1.955 CCOC(=O)CCSCC#CC1CC1 62a_100000765890_100009895102 [0,1,0,1,0,0|0,0,2]=4 19973 B14R1.955 CCOC(=O)CCSCC#CC1CC1 62a_100009895102_100000765890 [0,1,0,1,0,0|0,0,2]=4 19974 B14R1.955 CCOC(=O)CCSCCCC1CO1 62a_100000733510_100000765890 [0,1,0,1,0,0|1,0,0]=3 19975 B14R1.955 CCOC(=O)CCSCCCC1CO1 62a_100000765890_100000733510 [0,1,0,1,0,0|1,0,0]=3 19976 B14R1.955 CCOC(=O)COCCCNC1CC1 34a_100000212008_100009893628 [0,1,0,1,0,0|1,0,0]=3 19977 B14R1.955 CCOC(=O)COCCCSC1CC1 62a_100009893628_100000211595 [0,1,0,1,0,0|1,0,0]=3 19978 B14R1.955 CCOC(=O)COCCNCC1CC1 2230a_100000735609_100000088970 [0,1,0,1,0,0|1,0,0]=3 19979 B14R1.955 CCOC(=O)COCCNCC1CC1 34a_100000735609_100000088970 [0,1,0,1,0,0|1,0,0]=3 19980 B14R1.955 CCOC(=O)COCCOCC1CC1 34a_100000211283_100000088970 [0,1,0,1,0,0|1,0,0]=3 19981 B14R1.955 CCOC(=O)COCCOC[C@@H]1CO1 34a_100000757423_100000088970 [0,1,0,1,0,0|2,0,0]=4 19982 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000088970_100000742324 [0,1,0,1,0,0|1,0,0]=3 19983 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000756562_100000088970 [0,1,0,1,0,0|1,0,0]=3 19984 B14R1.955 CCOC(=O)COCCSCC1CO1 62a_100000088970_102125554688 [0,1,0,1,0,0|2,0,0]=4 19985 B14R1.955 CCOC(=O)COCCSCC1CO1 62a_102125554688_100000088970 [0,1,0,1,0,0|2,0,0]=4 19986 B14R1.955 CCOC(=O)COCCSCC1CS1 62a_100000031435_100000088970 [0,1,0,1,0,0|2,0,0]=4 19987 B14R1.955 CCOC(=O)COCCSCC1CS1 62a_100000088970_100000031435 [0,1,0,1,0,0|2,0,0]=4 19988 B14R1.955 CCOC(=O)COCCSC[C@@H]1CO1 62a_100000088970_100000745022 [0,1,0,1,0,0|2,0,0]=4 19989 B14R1.955 CCOC(=O)COCCSC[C@@H]1CO1 62a_100000745022_100000088970 [0,1,0,1,0,0|2,0,0]=4 19990 B14R1.955 CCOC(=O)CSCCOCC1CC1 7a_200000230590_100000742324 [0,1,0,1,0,0|1,0,0]=3 19991 B14R1.955 CCOC(=O)CSCCOCC1CO1 7a_200000230590_102125554688 [0,1,0,1,0,0|2,0,0]=4 19992 B14R1.955 CCOC(=O)CSCCOCC1CS1 7a_200000230590_100000031435 [0,1,0,1,0,0|2,0,0]=4 19993 B14R1.955 CCOC(=O)CSCCOC[C@@H]1CO1 7a_200000230590_100000745022 [0,1,0,1,0,0|2,0,0]=4 19994 B14R1.955 CCOC(=O)NCCOCCC1CC1 34a_100000158857_100000694398 [0,1,0,1,0,0|1,0,0]=3 19995 B14R1.955 CCOC(=O)NCCOCCC1CC1 7a_100000754188_200011445536 [0,1,0,1,0,0|1,0,0]=3 19996 B14R1.955 CCOC(=O)NCCOCCC1CO1 34a_100000158857_100000732470 [0,1,0,1,0,0|2,0,0]=4 19997 B14R1.955 CCOC(=O)NCCSCCC1CC1 62a_100000764125_200011445536 [0,1,0,1,0,0|1,0,0]=3 19998 B14R1.955 CCOC(=O)NCCSCCC1CO1 62a_100000732470_200011445536 [0,1,0,1,0,0|2,0,0]=4 19999 B14R1.955 CCOC(=O)OCSCCCC1CO1 62a_100000733510_100000075025 [0,1,0,1,0,0|2,0,0]=4 20000 B14R1.963 CCOC(=O)CCCCN1CCC1C 269982a_100000755817_100000750268 [0,1,0,1,0,0|0,0,0]=2 20001 B14R1.963 CCOC(=O)CCCCN1CCC1C 34a_100000755817_100000750268 [0,1,0,1,0,0|0,0,0]=2 20002 B14R1.963 CCOC(=O)CCCOC1CCC1=O 7a_100012001163_100009892977 [0,1,0,1,0,0|1,0,1]=4 20003 B14R1.963 CCOC(=O)CCCSC1CCC1=O 62a_100009892977_100009991533 [0,1,0,1,0,0|1,0,1]=4 20004 B14R1.963 CCOC(=O)CCCSC1CCC1=O 62a_100009991533_100009892977 [0,1,0,1,0,0|1,0,1]=4 20005 B14R1.963 CCOC(=O)COCCN1CCC1C 269982a_100000755817_100000088970 [0,1,0,1,0,0|1,0,0]=3 20006 B14R1.963 CCOC(=O)COCCN1CCC1C 34a_100000755817_100000088970 [0,1,0,1,0,0|1,0,0]=3 20007 B14R1.963 CCOC(=O)CSCCC1CCC1=O 62a_100000188475_200016118888 [0,1,0,1,0,0|1,0,1]=4 20008 B14R1.963 CCOC(=O)CSCCC1CCC1=O 62a_200016118888_100000188475 [0,1,0,1,0,0|1,0,1]=4 20009 B14R1.965 C#CC1CCCCN1CC(=O)OCC 2230a_200020621307_100000188475 [0,1,0,1,0,0|0,0,2]=4 20010 B14R1.965 C#CC1CCCCN1CC(=O)OCC 269982a_200020621307_100000188475 [0,1,0,1,0,0|0,0,2]=4 20011 B14R1.965 C#CC1CCCCN1CC(=O)OCC 34a_200020621307_100000188475 [0,1,0,1,0,0|0,0,2]=4 20012 B14R1.965 C=COC(=O)CN1CCCCC1CC 2230a_100000210034_100000036128 [0,1,0,1,0,0|0,0,2]=4 20013 B14R1.965 C=COC(=O)CN1CCCCC1CC 269982a_100000210034_100000036128 [0,1,0,1,0,0|0,0,2]=4 20014 B14R1.965 C=COC(=O)CN1CCCCC1CC 34a_100000210034_100000036128 [0,1,0,1,0,0|0,0,2]=4 20015 B14R1.965 CCC1CCCCN1CC(=O)NCO 2230a_100000210034_100000185155 [0,1,0,1,0,0|2,0,0]=4 20016 B14R1.965 CCC1CCCCN1CC(=O)NCO 269982a_100000210034_100000185155 [0,1,0,1,0,0|2,0,0]=4 20017 B14R1.965 CCC1CCCCN1CC(=O)NCO 34a_100000210034_100000185155 [0,1,0,1,0,0|2,0,0]=4 20018 B14R1.965 CCCC(=O)CN1CCCCC1CC 2230a_100000210034_100000747444 [0,1,0,1,0,0|1,0,0]=3 20019 B14R1.965 CCCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747444 [0,1,0,1,0,0|1,0,0]=3 20020 B14R1.965 CCCC(=O)CN1CCCCC1CO 2230a_100000210821_100000747444 [0,1,0,1,0,0|2,0,0]=4 20021 B14R1.965 CCCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747444 [0,1,0,1,0,0|2,0,0]=4 20022 B14R1.965 CCCC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000747444 [0,1,0,1,0,0|2,0,0]=4 20023 B14R1.965 CCCC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000747444 [0,1,0,1,0,0|2,0,0]=4 20024 B14R1.965 CCCC(=O)NC1CCCCC1OC 11a_100011208099_100000211992 [0,1,0,1,0,0|2,0,0]=4 20025 B14R1.965 CCCC(=O)NC1CCCCC1OC 1626a_100011208099_100000211992 [0,1,0,1,0,0|2,0,0]=4 20026 B14R1.965 CCCC(=O)NC1CCCCC1OC 240690a_100011208099_100000211992 [0,1,0,1,0,0|2,0,0]=4 20027 B14R1.965 CCCC(=O)NC1CCCCC1OC 527a_100011208099_100000211992 [0,1,0,1,0,0|2,0,0]=4 20028 B14R1.965 CCNC(=O)CN1CCCCC1CC 2230a_100000210034_100000183381 [0,1,0,1,0,0|1,0,0]=3 20029 B14R1.965 CCNC(=O)CN1CCCCC1CC 269982a_100000210034_100000183381 [0,1,0,1,0,0|1,0,0]=3 20030 B14R1.965 CCNC(=O)CN1CCCCC1CC 34a_100000210034_100000183381 [0,1,0,1,0,0|1,0,0]=3 20031 B14R1.965 CCNC(=O)CN1CCCCC1CO 2230a_100000210821_100000183381 [0,1,0,1,0,0|2,0,0]=4 20032 B14R1.965 CCNC(=O)CN1CCCCC1CO 269982a_100000210821_100000183381 [0,1,0,1,0,0|2,0,0]=4 20033 B14R1.965 CCNC(=O)CN1CCCCC1CO 34a_100000210821_100000183381 [0,1,0,1,0,0|2,0,0]=4 20034 B14R1.965 CCNC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000183381 [0,1,0,1,0,0|2,0,0]=4 20035 B14R1.965 CCNC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000183381 [0,1,0,1,0,0|2,0,0]=4 20036 B14R1.965 CCNC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_100000183381 [0,1,0,1,0,0|2,0,0]=4 20037 B14R1.965 CCNC(=O)NC1CCCCC1OC 2708a_100011208099_100015525214 [0,1,0,1,0,0|2,0,0]=4 20038 B14R1.965 CCNC(=O)NC1CCCCC1OC 2708a_100015525214_100011208099 [0,1,0,1,0,0|2,0,0]=4 20039 B14R1.965 CCNC(=O)NC1CCCCC1OC 273464a_100011208099_100015525214 [0,1,0,1,0,0|2,0,0]=4 20040 B14R1.965 CCNC(=O)NC1CCCCC1OC 273464a_100015525214_100011208099 [0,1,0,1,0,0|2,0,0]=4 20041 B14R1.965 CCNC(=O)NC1CCCCC1OC 512a_100011208099_100015525214 [0,1,0,1,0,0|2,0,0]=4 20042 B14R1.965 CCNC(=O)NC1CCCCC1OC 512a_100015525214_100011208099 [0,1,0,1,0,0|2,0,0]=4 20043 B14R1.965 CCOC(=O)CC1CCCCN1CC 2230a_100116209990_100000210202 [0,1,0,1,0,0|0,0,0]=2 20044 B14R1.965 CCOC(=O)CC1CCCCN1CC 269982a_100116209990_100000204670 [0,1,0,1,0,0|0,0,0]=2 20045 B14R1.965 CCOC(=O)CC1CCCCN1CF 269982a_100116209990_100015361967 [0,1,0,1,0,0|1,0,0]=3 20046 B14R1.965 CCOC(=O)CN1CCCCC1C#N 34a_100016989756_100000188475 [0,1,0,1,0,0|1,0,1]=4 20047 B14R1.965 CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000188475 [0,1,0,1,0,0|0,0,0]=2 20048 B14R1.965 CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000188475 [0,1,0,1,0,0|0,0,0]=2 20049 B14R1.965 CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000188475 [0,1,0,1,0,0|0,0,0]=2 20050 B14R1.965 CCOC(=O)CN1CCCCC1CO 2230a_100000210821_100000188475 [0,1,0,1,0,0|1,0,0]=3 20051 B14R1.965 CCOC(=O)CN1CCCCC1CO 269982a_100000210821_100000188475 [0,1,0,1,0,0|1,0,0]=3 20052 B14R1.965 CCOC(=O)CN1CCCCC1CO 34a_100000210821_100000188475 [0,1,0,1,0,0|1,0,0]=3 20053 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000188475 [0,1,0,1,0,0|1,0,0]=3 20054 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000188475 [0,1,0,1,0,0|1,0,0]=3 20055 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_100000188475 [0,1,0,1,0,0|1,0,0]=3 20056 B14R1.965 CCOC(=O)CN1CCOC[C@H]1CO 2230a_100000717676_100000188475 [0,1,0,1,0,0|2,0,0]=4 20057 B14R1.965 CCOC(=O)CN1CCOC[C@H]1CO 269982a_100000717676_100000188475 [0,1,0,1,0,0|2,0,0]=4 20058 B14R1.965 CCOC(=O)CN1CCOC[C@H]1CO 34a_100000717676_100000188475 [0,1,0,1,0,0|2,0,0]=4 20059 B14R1.1253 CCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210314 [0,1,0,1,0,0|1,0,0]=3 20060 B14R1.1253 CCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210757 [0,1,0,1,0,0|1,0,0]=3 20061 B14R1.1253 CCCCOCN1CCNC(=O)CC1 2230a_100000698595_100011995733 [0,1,0,1,0,0|2,0,0]=4 20062 B14R1.1253 CCCCOCN1CCNC(=O)CC1 269982a_100000698595_100011995733 [0,1,0,1,0,0|2,0,0]=4 20063 B14R1.1253 CCCOCCN1CCNC(=O)CC1 2230a_100000698595_100011215938 [0,1,0,1,0,0|2,0,0]=4 20064 B14R1.1253 CCCOCCN1CCNC(=O)CC1 269982a_100000698595_100011215938 [0,1,0,1,0,0|2,0,0]=4 20065 B14R1.1253 CCOCCCN1CCNC(=O)CC1 2230a_100000698595_100012232248 [0,1,0,1,0,0|2,0,0]=4 20066 B14R1.1253 CCOCCCN1CCNC(=O)CC1 269982a_100000698595_100012232248 [0,1,0,1,0,0|2,0,0]=4 20067 B14R1.1253 COCCCCN1CCNC(=O)CC1 2230a_100000698595_100000730899 [0,1,0,1,0,0|2,0,0]=4 20068 B14R1.1253 COCCCCN1CCNC(=O)CC1 269982a_100000698595_100000730899 [0,1,0,1,0,0|2,0,0]=4 20069 B14R1.1253 O=C1CCN(CCN1)CCCCCF 2230a_100000698595_100000729378 [0,1,0,1,0,0|2,0,0]=4 20070 B14R1.1253 O=C1CCN(CCN1)CCCCCF 269982a_100000698595_100000729378 [0,1,0,1,0,0|2,0,0]=4 20071 B14R1.1253 O=C1CCN(CCN1)CCCCCO 2230a_100000698595_100000746330 [0,1,0,1,0,0|2,0,0]=4 20072 B14R1.1253 O=C1CCN(CCN1)CCCCCO 269982a_100000698595_100000746330 [0,1,0,1,0,0|2,0,0]=4 20073 B14R1.2357 CCCCCCCN1CC(C1)OCC 269982a_100000732654_100000210681 [0,1,0,1,0,0|1,0,1]=4 20074 B14R1.2357 CCCCCCCN1CC(C1)OCC 34a_100000732654_100000210614 [0,1,0,1,0,0|1,0,1]=4 20075 B14R1.3126 CC1CC(C(=O)O1)NCCCCCO 2230a_100000762737_200000216747 [0,1,0,1,0,0|2,0,0]=4 20076 B14R1.3126 CC1CC(C(=O)O1)NCCCCCO 34a_100000762737_200000216747 [0,1,0,1,0,0|2,0,0]=4 20077 B14R1.3126 CC1CC(C(=O)O1)OCCCCCBr 34a_100000746331_200000216747 [0,1,0,1,0,0|2,0,0]=4 20078 B14R1.3126 CC1CC(C(=O)O1)OCCCCCBr 7a_100000746331_200000216747 [0,1,0,1,0,0|2,0,0]=4 20079 B14R1.3126 CC1CC(C(=O)O1)OCCCCCCl 34a_100000746330_200000216747 [0,1,0,1,0,0|2,0,0]=4 20080 B14R1.3126 CC1CC(C(=O)O1)OCCCCCCl 7a_100000746330_200000216747 [0,1,0,1,0,0|2,0,0]=4 20081 B14R1.3126 CC1CC(C(=O)O1)OCCCCCI 34a_200012148887_200000216747 [0,1,0,1,0,0|2,0,0]=4 20082 B14R1.3126 CC1CC(C(=O)O1)OCCCCCI 7a_200012148887_200000216747 [0,1,0,1,0,0|2,0,0]=4 20083 B14R1.3126 CC1CC(C(=O)O1)OCCCCCN 34a_100000762737_200000216747 [0,1,0,1,0,0|2,0,0]=4 20084 B14R1.3126 CC1CC(C(=O)O1)SCCCCCF 62a_100000729378_200000216747 [0,1,0,1,0,0|2,0,0]=4 20085 B14R1.3126 CC1CC(C(=O)O1)SCCCCCF 62a_200000216747_100000729378 [0,1,0,1,0,0|2,0,0]=4 20086 B14R1.3126 CC1CC(C(=O)O1)SCCCCCO 62a_100000746330_200000216747 [0,1,0,1,0,0|2,0,0]=4 20087 B14R1.3126 CC1CC(C(=O)O1)SCCCCCO 62a_200000216747_100000746330 [0,1,0,1,0,0|2,0,0]=4 20088 B14R1.3126 CCCCCCNC1CC(OC1=O)C 2230a_100000210581_200000216747 [0,1,0,1,0,0|1,0,0]=3 20089 B14R1.3126 CCCCCCOC1CC(OC1=O)C 34a_100000210259_200000216747 [0,1,0,1,0,0|1,0,0]=3 20090 B14R1.3126 CCCCCCOC1CC(OC1=O)C 7a_100000210259_200000216747 [0,1,0,1,0,0|1,0,0]=3 20091 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_100000210314_200000216747 [0,1,0,1,0,0|1,0,0]=3 20092 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210757 [0,1,0,1,0,0|1,0,0]=3 20093 B14R1.3126 CCCCOCSC1CC(OC1=O)C 62a_100011995733_200000216747 [0,1,0,1,0,0|2,0,0]=4 20094 B14R1.3126 CCCCOCSC1CC(OC1=O)C 62a_200000216747_100011995733 [0,1,0,1,0,0|2,0,0]=4 20095 B14R1.3126 CCCOCCNC1CC(OC1=O)C 2230a_100161115042_200000216747 [0,1,0,1,0,0|2,0,0]=4 20096 B14R1.3126 CCCOCCNC1CC(OC1=O)C 34a_100161115042_200000216747 [0,1,0,1,0,0|2,0,0]=4 20097 B14R1.3126 CCCOCCOC1CC(OC1=O)C 34a_100000752267_200000216747 [0,1,0,1,0,0|2,0,0]=4 20098 B14R1.3126 CCCOCCOC1CC(OC1=O)C 7a_100000752267_200000216747 [0,1,0,1,0,0|2,0,0]=4 20099 B14R1.3126 CCCOCCSC1CC(OC1=O)C 62a_100011215938_200000216747 [0,1,0,1,0,0|2,0,0]=4 20100 B14R1.3126 CCCOCCSC1CC(OC1=O)C 62a_200000216747_100011215938 [0,1,0,1,0,0|2,0,0]=4 20101 B14R1.3126 CCCSCCNC1CC(OC1=O)C 2230a_100020603323_200000216747 [0,1,0,1,0,0|2,0,0]=4 20102 B14R1.3126 CCCSCCOC1CC(OC1=O)C 34a_200000230433_200000216747 [0,1,0,1,0,0|2,0,0]=4 20103 B14R1.3126 CCCSCCOC1CC(OC1=O)C 7a_200000230433_200000216747 [0,1,0,1,0,0|2,0,0]=4 20104 B14R1.3126 CCOCCCNC1CC(OC1=O)C 2230a_100000210961_200000216747 [0,1,0,1,0,0|2,0,0]=4 20105 B14R1.3126 CCOCCCNC1CC(OC1=O)C 34a_100000210961_200000216747 [0,1,0,1,0,0|2,0,0]=4 20106 B14R1.3126 CCOCCCOC1CC(OC1=O)C 34a_100000757476_200000216747 [0,1,0,1,0,0|2,0,0]=4 20107 B14R1.3126 CCOCCCOC1CC(OC1=O)C 7a_100000757476_200000216747 [0,1,0,1,0,0|2,0,0]=4 20108 B14R1.3126 CCOCCCSC1CC(OC1=O)C 62a_100012232248_200000216747 [0,1,0,1,0,0|2,0,0]=4 20109 B14R1.3126 CCOCCCSC1CC(OC1=O)C 62a_200000216747_100012232248 [0,1,0,1,0,0|2,0,0]=4 20110 B14R1.3126 CCSCCCOC1CC(OC1=O)C 34a_100011216438_200000216747 [0,1,0,1,0,0|2,0,0]=4 20111 B14R1.3126 CCSCCCOC1CC(OC1=O)C 7a_100011216438_200000216747 [0,1,0,1,0,0|2,0,0]=4 20112 B14R1.3126 COCCCCOC1CC(OC1=O)C 34a_100000740925_200000216747 [0,1,0,1,0,0|2,0,0]=4 20113 B14R1.3126 COCCCCSC1CC(OC1=O)C 62a_100000730899_200000216747 [0,1,0,1,0,0|2,0,0]=4 20114 B14R1.3126 COCCCCSC1CC(OC1=O)C 62a_200000216747_100000730899 [0,1,0,1,0,0|2,0,0]=4 20115 B14R1.3126 CSCCCCOC1CC(OC1=O)C 34a_100011217163_200000216747 [0,1,0,1,0,0|2,0,0]=4 20116 B14R1.3126 CSCCCCOC1CC(OC1=O)C 7a_100011217163_200000216747 [0,1,0,1,0,0|2,0,0]=4 20117 B14R1.3619 CCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210326 [0,1,0,1,0,0|2,0,0]=4 20118 B14R1.3619 CCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210215 [0,1,0,1,0,0|2,0,0]=4 20119 B14R1.3619 CCCCCN1CCNC(=O)C1CC 34a_100000187962_100000718602 [0,1,0,1,0,0|2,0,0]=4 20120 B14R1.6816 C#CCCCCCCCC(=O)C1CC1 1458a_100000210395_100153394163 [0,1,0,1,0,0|1,0,1]=4 20121 B14R1.6816 C=CCCCCCCCC(=O)C1CC1 1458a_100000210395_100012355270 [0,1,0,1,0,0|1,0,1]=4 20122 B14R1.6816 CCCCC#CCCCC(=O)C1CC1 1458a_100000210395_200000047210 [0,1,0,1,0,0|1,0,1]=4 20123 B14R1.6816 CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210670 [0,1,0,1,0,0|1,0,0]=3 20124 B14R1.6816 CCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210670 [0,1,0,1,0,0|2,0,0]=4 20125 B14R1.6816 CCCCCCCCNC(=O)C1CC1 11a_100000229939_100000210395 [0,1,0,1,0,0|1,0,0]=3 20126 B14R1.6816 CCCCCCCCNC(=O)C1CC1 1626a_100000229939_100000210395 [0,1,0,1,0,0|1,0,0]=3 20127 B14R1.6816 CCCCCCCCNC(=O)C1CC1 240690a_100000229939_100000210395 [0,1,0,1,0,0|1,0,0]=3 20128 B14R1.6816 CCCCCCCCNC(=O)C1CC1 527a_100000229939_100000210395 [0,1,0,1,0,0|1,0,0]=3 20129 B14R1.6816 CCCCCCCCNC(=O)C1CO1 11a_100000229939_100000701028 [0,1,0,1,0,0|2,0,0]=4 20130 B14R1.6816 CCCCCCCCNC(=O)C1CO1 1626a_100000229939_100000701028 [0,1,0,1,0,0|2,0,0]=4 20131 B14R1.6816 CCCCCCCCNC(=O)C1CO1 240690a_100000229939_100000701028 [0,1,0,1,0,0|2,0,0]=4 20132 B14R1.6816 CCCCCCCCNC(=O)C1CO1 527a_100000229939_100000701028 [0,1,0,1,0,0|2,0,0]=4 20133 B14R1.6816 CCCCCCCNCC(=O)C1CC1 2230a_100000229938_100000746382 [0,1,0,1,0,0|1,0,0]=3 20134 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000210272_100000746382 [0,1,0,1,0,0|1,0,0]=3 20135 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210614 [0,1,0,1,0,0|1,0,0]=3 20136 B14R1.6816 CCCCCCCOCC(=O)C1CC1 7a_100000210272_100000746382 [0,1,0,1,0,0|1,0,0]=3 20137 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000210614_100000746382 [0,1,0,1,0,0|1,0,0]=3 20138 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210316 [0,1,0,1,0,0|1,0,0]=3 20139 B14R1.6816 CCCCCCNCOC(=O)C1CC1 2230a_100000210581_100000140896 [0,1,0,1,0,0|2,0,0]=4 20140 B14R1.6816 CCCCCCOCOC(=O)C1CC1 34a_100000210259_100000140896 [0,1,0,1,0,0|2,0,0]=4 20141 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210757 [0,1,0,1,0,0|2,0,0]=4 20142 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000210314_100000140896 [0,1,0,1,0,0|2,0,0]=4 20143 B14R1.6816 CCCCOCCCNC(=O)C1CC1 1626a_200000211371_100000210395 [0,1,0,1,0,0|2,0,0]=4 20144 B14R1.6816 CCCCOCCCNC(=O)C1CC1 240690a_200000211371_100000210395 [0,1,0,1,0,0|2,0,0]=4 20145 B14R1.6816 CCCCOCCCNC(=O)C1CC1 527a_200000211371_100000210395 [0,1,0,1,0,0|2,0,0]=4 20146 B14R1.6816 CCCCOCCOCC(=O)C1CC1 34a_100000210238_100000746382 [0,1,0,1,0,0|2,0,0]=4 20147 B14R1.6816 CCCCOCCOCC(=O)C1CC1 34a_100000686663_100000743108 [0,1,0,1,0,0|2,0,0]=4 20148 B14R1.6816 CCCCOCCOCC(=O)C1CC1 7a_100000210238_100000746382 [0,1,0,1,0,0|2,0,0]=4 20149 B14R1.6816 CCCCOCCSCC(=O)C1CC1 62a_100000743108_100000746382 [0,1,0,1,0,0|2,0,0]=4 20150 B14R1.6816 CCCCOCCSCC(=O)C1CC1 62a_100000746382_100000743108 [0,1,0,1,0,0|2,0,0]=4 20151 B14R1.6816 CCCCSCCNCC(=O)C1CC1 2230a_100025743550_100000746382 [0,1,0,1,0,0|2,0,0]=4 20152 B14R1.6816 CCCCSCCOCC(=O)C1CC1 34a_200000230436_100000746382 [0,1,0,1,0,0|2,0,0]=4 20153 B14R1.6816 CCCCSCCOCC(=O)C1CC1 7a_200000230436_100000746382 [0,1,0,1,0,0|2,0,0]=4 20154 B14R1.6816 CCCOCCCNCC(=O)C1CC1 2230a_100011217757_100000746382 [0,1,0,1,0,0|2,0,0]=4 20155 B14R1.6816 CCCOCCCNCC(=O)C1CC1 34a_100011217757_100000746382 [0,1,0,1,0,0|2,0,0]=4 20156 B14R1.6816 CNCCCCCOCC(=O)C1CC1 34a_100000722520_100000746382 [0,1,0,1,0,0|2,0,0]=4 20157 B14R1.6816 COCCCCCNCC(=O)C1CC1 2230a_100000747528_100000746382 [0,1,0,1,0,0|2,0,0]=4 20158 B14R1.6816 COCCCCCNCC(=O)C1CC1 34a_100000747528_100000746382 [0,1,0,1,0,0|2,0,0]=4 20159 B14R1.6816 NCCCCCCOCC(=O)C1CC1 34a_100000686447_100000746382 [0,1,0,1,0,0|2,0,0]=4 20160 B14R1.6816 O=C(CCCCCCCCO)C1CC1 1458a_100000210395_100000033203 [0,1,0,1,0,0|1,0,0]=3 20161 B14R1.6816 O=C(CCCCCCCCO)C1CO1 1458a_100000701028_100000033203 [0,1,0,1,0,0|2,0,0]=4 20162 B14R1.6816 O=C(CNCCCCCCO)C1CC1 2230a_100000686447_100000746382 [0,1,0,1,0,0|2,0,0]=4 20163 B14R1.6816 O=C(CNCCCCCCO)C1CC1 34a_100000686447_100000746382 [0,1,0,1,0,0|2,0,0]=4 20164 B14R1.6816 O=C(COCCCCCCBr)C1CC1 34a_100011215345_100000746382 [0,1,0,1,0,0|2,0,0]=4 20165 B14R1.6816 O=C(COCCCCCCBr)C1CC1 7a_100011215345_100000746382 [0,1,0,1,0,0|2,0,0]=4 20166 B14R1.6816 O=C(COCCCCCCCl)C1CC1 34a_100000766143_100000746382 [0,1,0,1,0,0|2,0,0]=4 20167 B14R1.6816 O=C(COCCCCCCCl)C1CC1 7a_100000766143_100000746382 [0,1,0,1,0,0|2,0,0]=4 20168 B14R1.6816 O=C(COCCCCCCF)C1CC1 34a_100000686663_100015922095 [0,1,0,1,0,0|2,0,0]=4 20169 B14R1.6816 O=C(COCCCCCCF)C1CC1 34a_100000732779_100000746382 [0,1,0,1,0,0|2,0,0]=4 20170 B14R1.6816 O=C(COCCCCCCF)C1CC1 7a_100000732779_100000746382 [0,1,0,1,0,0|2,0,0]=4 20171 B14R1.6816 O=C(COCCCCCCO)C1CC1 34a_100000686663_100000766143 [0,1,0,1,0,0|2,0,0]=4 20172 B14R1.6816 O=C(CSCCCCCCF)C1CC1 62a_100000746382_100015922095 [0,1,0,1,0,0|2,0,0]=4 20173 B14R1.6816 O=C(CSCCCCCCF)C1CC1 62a_100015922095_100000746382 [0,1,0,1,0,0|2,0,0]=4 20174 B14R1.6816 O=C(CSCCCCCCO)C1CC1 62a_100000746382_100000766143 [0,1,0,1,0,0|2,0,0]=4 20175 B14R1.6816 O=C(CSCCCCCCO)C1CC1 62a_100000766143_100000746382 [0,1,0,1,0,0|2,0,0]=4 20176 B14R1.6816 O=C(NCCCCCCCO)C1CC1 240690a_100011996573_100000210395 [0,1,0,1,0,0|2,0,0]=4 20177 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 11a_100000039187_100000210699 [0,1,0,1,0,0|1,0,1]=4 20178 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000210699 [0,1,0,1,0,0|1,0,1]=4 20179 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 240690a_100000039187_100000210699 [0,1,0,1,0,0|1,0,1]=4 20180 B14R1.7119 CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000211992 [0,1,0,1,0,0|1,0,0]=3 20181 B14R1.7119 CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211992 [0,1,0,1,0,0|1,0,0]=3 20182 B14R1.7119 CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211992 [0,1,0,1,0,0|1,0,0]=3 20183 B14R1.7119 CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000211992 [0,1,0,1,0,0|1,0,0]=3 20184 B14R1.7119 CCNC(=O)N1CCCCCCCC1 2708a_100015525214_100000039187 [0,1,0,1,0,0|1,0,0]=3 20185 B14R1.7119 CCNC(=O)N1CCCCCCCC1 273464a_100015525214_100000039187 [0,1,0,1,0,0|1,0,0]=3 20186 B14R1.7119 COCC(=O)N1CCCCCCCC1 11a_100000039187_100000210968 [0,1,0,1,0,0|2,0,0]=4 20187 B14R1.7119 COCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210968 [0,1,0,1,0,0|2,0,0]=4 20188 B14R1.7119 COCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210968 [0,1,0,1,0,0|2,0,0]=4 20189 B14R1.7119 COCC(=O)N1CCCCCCCC1 527a_100000039187_100000210968 [0,1,0,1,0,0|2,0,0]=4 20190 B14R1.7119 CSCC(=O)N1CCCCCCCC1 11a_100000039187_100000184570 [0,1,0,1,0,0|2,0,0]=4 20191 B14R1.7119 CSCC(=O)N1CCCCCCCC1 1626a_100000039187_100000184570 [0,1,0,1,0,0|2,0,0]=4 20192 B14R1.7119 CSCC(=O)N1CCCCCCCC1 240690a_100000039187_100000184570 [0,1,0,1,0,0|2,0,0]=4 20193 B14R1.7119 CSCC(=O)N1CCCCCCCC1 527a_100000039187_100000184570 [0,1,0,1,0,0|2,0,0]=4 20194 B14R1.7119 O=C(CCO)N1CCCCCCCC1 240690a_100000039187_100011216618 [0,1,0,1,0,0|2,0,0]=4 20195 B14R1.7146 C=COC(=O)CNC1CCCCCC1 2230a_100000210984_100000036128 [0,1,0,1,0,0|0,0,2]=4 20196 B14R1.7146 C=COC(=O)CNC1CCCCCC1 34a_100000210984_100000036128 [0,1,0,1,0,0|0,0,2]=4 20197 B14R1.7146 C=COC(=O)COC1CCCCCC1 34a_100000210887_100000036128 [0,1,0,1,0,0|0,0,2]=4 20198 B14R1.7146 C=COC(=O)CSC1CCCCCC1 62a_100000036128_100011217769 [0,1,0,1,0,0|0,0,2]=4 20199 B14R1.7146 C=COC(=O)CSC1CCCCCC1 62a_100011217769_100000036128 [0,1,0,1,0,0|0,0,2]=4 20200 B14R1.7146 CC#CC(=O)CCN1CCCCCC1 1458a_100000763181_100000722644 [0,1,0,1,0,0|1,0,1]=4 20201 B14R1.7146 CC=CC(=O)CCN1CCCCCC1 1458a_100000210699_100000722644 [0,1,0,1,0,0|1,0,1]=4 20202 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 11a_100015204231_100000210699 [0,1,0,1,0,0|1,0,1]=4 20203 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000210699 [0,1,0,1,0,0|1,0,1]=4 20204 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 240690a_100015204231_100000210699 [0,1,0,1,0,0|1,0,1]=4 20205 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000211992_100000722644 [0,1,0,1,0,0|1,0,0]=3 20206 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210303 [0,1,0,1,0,0|1,0,0]=3 20207 B14R1.7146 CCCC(=O)CNC1CCCCCC1 2230a_100000210984_100000747444 [0,1,0,1,0,0|1,0,0]=3 20208 B14R1.7146 CCCC(=O)COC1CCCCCC1 7a_100000210887_100000747444 [0,1,0,1,0,0|1,0,0]=3 20209 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100000747444_100011217769 [0,1,0,1,0,0|1,0,0]=3 20210 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100011217769_100000747444 [0,1,0,1,0,0|1,0,0]=3 20211 B14R1.7146 CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000211992 [0,1,0,1,0,0|1,0,0]=3 20212 B14R1.7146 CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211992 [0,1,0,1,0,0|1,0,0]=3 20213 B14R1.7146 CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211992 [0,1,0,1,0,0|1,0,0]=3 20214 B14R1.7146 CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000211992 [0,1,0,1,0,0|1,0,0]=3 20215 B14R1.7146 CCCC(=O)OCN1CCCCCC1 2230a_100000185865_100000034017 [0,1,0,1,0,0|2,0,0]=4 20216 B14R1.7146 CCCC(=O)OCN1CCCCCC1 269982a_100000185865_100000034017 [0,1,0,1,0,0|2,0,0]=4 20217 B14R1.7146 CCCC(=O)OCN1CCCCCC1 34a_100000185865_100000034017 [0,1,0,1,0,0|2,0,0]=4 20218 B14R1.7146 CCNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737597 [0,1,0,1,0,0|1,0,0]=3 20219 B14R1.7146 CCNC(=O)CCN1CCCCCC1 240690a_100015525214_100000740320 [0,1,0,1,0,0|1,0,0]=3 20220 B14R1.7146 CCNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737597 [0,1,0,1,0,0|1,0,0]=3 20221 B14R1.7146 CCNC(=O)CCN1CCCOCC1 2230a_100000685342_100000737597 [0,1,0,1,0,0|2,0,0]=4 20222 B14R1.7146 CCNC(=O)CCN1CCCOCC1 269982a_100000685342_100000737597 [0,1,0,1,0,0|2,0,0]=4 20223 B14R1.7146 CCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183381 [0,1,0,1,0,0|1,0,0]=3 20224 B14R1.7146 CCNC(=O)CNC1CCCCCC1 270004a_100016988866_100000210131 [0,1,0,1,0,0|1,0,0]=3 20225 B14R1.7146 CCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183381 [0,1,0,1,0,0|1,0,0]=3 20226 B14R1.7146 CCNC(=O)CNC1CCCNCC1 270004a_100016988866_100015187895 [0,1,0,1,0,0|2,0,0]=4 20227 B14R1.7146 CCNC(=O)COC1CCCCCC1 34a_100000210887_100000183381 [0,1,0,1,0,0|1,0,0]=3 20228 B14R1.7146 CCNC(=O)COC1CCCCCC1 7a_100000210887_100000183381 [0,1,0,1,0,0|1,0,0]=3 20229 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100000183381_100011217769 [0,1,0,1,0,0|1,0,0]=3 20230 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183381 [0,1,0,1,0,0|1,0,0]=3 20231 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015204231_100015525214 [0,1,0,1,0,0|1,0,0]=3 20232 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015525214_100015204231 [0,1,0,1,0,0|1,0,0]=3 20233 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015204231_100015525214 [0,1,0,1,0,0|1,0,0]=3 20234 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015525214_100015204231 [0,1,0,1,0,0|1,0,0]=3 20235 B14R1.7146 CCNC(=O)NCC1CCCCCC1 512a_100015525214_100015204231 [0,1,0,1,0,0|1,0,0]=3 20236 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,1,0,1,0,0|0,0,0]=2 20237 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,1,0,1,0,0|0,0,0]=2 20238 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,1,0,1,0,0|0,0,0]=2 20239 B14R1.7146 CCOC(=O)CCN1CCCOCC1 2230a_100000685342_100011206558 [0,1,0,1,0,0|1,0,0]=3 20240 B14R1.7146 CCOC(=O)CCN1CCCOCC1 269982a_100000685342_100011206558 [0,1,0,1,0,0|1,0,0]=3 20241 B14R1.7146 CCOC(=O)CCN1CCCOCC1 34a_100000685342_100000765890 [0,1,0,1,0,0|1,0,0]=3 20242 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,1,0,1,0,0|0,0,0]=2 20243 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,1,0,1,0,0|0,0,0]=2 20244 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,1,0,1,0,0|0,0,0]=2 20245 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,1,0,1,0,0|0,0,0]=2 20246 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,1,0,1,0,0|0,0,0]=2 20247 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,1,0,1,0,0|0,0,0]=2 20248 B14R1.7146 CNNC(=O)CCN1CCCCCC1 22a_100016993582_100000740320 [0,1,0,1,0,0|2,0,0]=4 20249 B14R1.7146 CNNC(=O)NCC1CCCCCC1 273464a_100015204231_100016993582 [0,1,0,1,0,0|2,0,0]=4 20250 B14R1.7146 CNNC(=O)NCC1CCCCCC1 512a_100016993582_100015204231 [0,1,0,1,0,0|2,0,0]=4 20251 B14R1.7146 COCC(=O)CCN1CCCCCC1 1458a_100000210968_100000722644 [0,1,0,1,0,0|2,0,0]=4 20252 B14R1.7146 COCC(=O)NCC1CCCCCC1 11a_100015204231_100000210968 [0,1,0,1,0,0|2,0,0]=4 20253 B14R1.7146 COCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210968 [0,1,0,1,0,0|2,0,0]=4 20254 B14R1.7146 COCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210968 [0,1,0,1,0,0|2,0,0]=4 20255 B14R1.7146 COCC(=O)NCC1CCCCCC1 527a_100015204231_100000210968 [0,1,0,1,0,0|2,0,0]=4 20256 B14R1.7146 CSCC(=O)CCN1CCCCCC1 1458a_100000184570_100000722644 [0,1,0,1,0,0|2,0,0]=4 20257 B14R1.7146 CSCC(=O)NCC1CCCCCC1 11a_100015204231_100000184570 [0,1,0,1,0,0|2,0,0]=4 20258 B14R1.7146 CSCC(=O)NCC1CCCCCC1 1626a_100015204231_100000184570 [0,1,0,1,0,0|2,0,0]=4 20259 B14R1.7146 CSCC(=O)NCC1CCCCCC1 240690a_100015204231_100000184570 [0,1,0,1,0,0|2,0,0]=4 20260 B14R1.7146 CSCC(=O)NCC1CCCCCC1 527a_100015204231_100000184570 [0,1,0,1,0,0|2,0,0]=4 20261 B14R1.7146 O=C(CCF)CCN1CCCCCC1 1458a_100000740320_100011217306 [0,1,0,1,0,0|2,0,0]=4 20262 B14R1.7146 O=C(CCO)CCN1CCCCCC1 1458a_100000740320_100000211926 [0,1,0,1,0,0|2,0,0]=4 20263 B14R1.7146 O=C(CCO)CCN1CCCCCC1 1458a_100011216618_100000722644 [0,1,0,1,0,0|2,0,0]=4 20264 B14R1.7146 O=C(CCO)NCC1CCCCCC1 240690a_100015204231_100011216618 [0,1,0,1,0,0|2,0,0]=4 20265 B14R1.7146 O=C(CNC1CCCCCC1)NCO 2230a_100000210984_100000185155 [0,1,0,1,0,0|2,0,0]=4 20266 B14R1.7146 O=C(CNC1CCCCCC1)NCO 34a_100000210984_100000185155 [0,1,0,1,0,0|2,0,0]=4 20267 B14R1.7146 O=C(COC1CCCCCC1)NCO 34a_100000210887_100000185155 [0,1,0,1,0,0|2,0,0]=4 20268 B14R1.7146 O=C(COC1CCCCCC1)NCO 7a_100000210887_100000185155 [0,1,0,1,0,0|2,0,0]=4 20269 B14R1.7146 O=C(CSC1CCCCCC1)NCO 62a_100000185155_100011217769 [0,1,0,1,0,0|2,0,0]=4 20270 B14R1.7146 O=C(CSC1CCCCCC1)NCO 62a_100011217769_100000185155 [0,1,0,1,0,0|2,0,0]=4 20271 B14R1.7343 C=COC(=O)CN1CCCCCCC1 2230a_100000211400_100000036128 [0,1,0,1,0,0|0,0,2]=4 20272 B14R1.7343 C=COC(=O)CN1CCCCCCC1 269982a_100000211400_100000036128 [0,1,0,1,0,0|0,0,2]=4 20273 B14R1.7343 C=COC(=O)CN1CCCCCCC1 34a_100000211400_100000036128 [0,1,0,1,0,0|0,0,2]=4 20274 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 11a_100000211152_100000210699 [0,1,0,1,0,0|1,0,1]=4 20275 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000210699 [0,1,0,1,0,0|1,0,1]=4 20276 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 240690a_100000211152_100000210699 [0,1,0,1,0,0|1,0,1]=4 20277 B14R1.7343 CCCC(=O)CN1CCCCCCC1 2230a_100000211400_100000747444 [0,1,0,1,0,0|1,0,0]=3 20278 B14R1.7343 CCCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747444 [0,1,0,1,0,0|1,0,0]=3 20279 B14R1.7343 CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000211992 [0,1,0,1,0,0|1,0,0]=3 20280 B14R1.7343 CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211992 [0,1,0,1,0,0|1,0,0]=3 20281 B14R1.7343 CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211992 [0,1,0,1,0,0|1,0,0]=3 20282 B14R1.7343 CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000211992 [0,1,0,1,0,0|1,0,0]=3 20283 B14R1.7343 CCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183381 [0,1,0,1,0,0|1,0,0]=3 20284 B14R1.7343 CCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183381 [0,1,0,1,0,0|1,0,0]=3 20285 B14R1.7343 CCNC(=O)CN1CCCCCCC1 34a_100000211400_100000183381 [0,1,0,1,0,0|1,0,0]=3 20286 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100000211152_100015525214 [0,1,0,1,0,0|1,0,0]=3 20287 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100015525214_100000211152 [0,1,0,1,0,0|1,0,0]=3 20288 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100000211152_100015525214 [0,1,0,1,0,0|1,0,0]=3 20289 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100015525214_100000211152 [0,1,0,1,0,0|1,0,0]=3 20290 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100000211152_100015525214 [0,1,0,1,0,0|1,0,0]=3 20291 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100015525214_100000211152 [0,1,0,1,0,0|1,0,0]=3 20292 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,1,0,1,0,0|0,0,0]=2 20293 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,1,0,1,0,0|0,0,0]=2 20294 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,1,0,1,0,0|0,0,0]=2 20295 B14R1.7343 CNCC(=O)NC1CCCCCCC1 2230a_106832991635_100000183010 [0,1,0,1,0,0|2,0,0]=4 20296 B14R1.7343 CNCC(=O)NC1CCCCCCC1 34a_100102657272_100000183010 [0,1,0,1,0,0|2,0,0]=4 20297 B14R1.7343 CNCC(=O)NC1CCCCCCC1 7a_106832991635_100000183010 [0,1,0,1,0,0|2,0,0]=4 20298 B14R1.7343 CNNC(=O)NC1CCCCCCC1 273464a_100000211152_100016993582 [0,1,0,1,0,0|2,0,0]=4 20299 B14R1.7343 CNNC(=O)NC1CCCCCCC1 512a_100000211152_100016993582 [0,1,0,1,0,0|2,0,0]=4 20300 B14R1.7343 CNNC(=O)NC1CCCCCCC1 512a_100016993582_100000211152 [0,1,0,1,0,0|2,0,0]=4 20301 B14R1.7343 COCC(=O)NC1CCCCCCC1 11a_100000211152_100000210968 [0,1,0,1,0,0|2,0,0]=4 20302 B14R1.7343 COCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210968 [0,1,0,1,0,0|2,0,0]=4 20303 B14R1.7343 COCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210968 [0,1,0,1,0,0|2,0,0]=4 20304 B14R1.7343 COCC(=O)NC1CCCCCCC1 34a_100138415774_100000183010 [0,1,0,1,0,0|2,0,0]=4 20305 B14R1.7343 COCC(=O)NC1CCCCCCC1 527a_100000211152_100000210968 [0,1,0,1,0,0|2,0,0]=4 20306 B14R1.7343 CSCC(=O)NC1CCCCCCC1 11a_100000211152_100000184570 [0,1,0,1,0,0|2,0,0]=4 20307 B14R1.7343 CSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000184570 [0,1,0,1,0,0|2,0,0]=4 20308 B14R1.7343 CSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000184570 [0,1,0,1,0,0|2,0,0]=4 20309 B14R1.7343 CSCC(=O)NC1CCCCCCC1 527a_100000211152_100000184570 [0,1,0,1,0,0|2,0,0]=4 20310 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_100000183010_200000210301 [0,1,0,1,0,0|2,0,0]=4 20311 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_200000210301_100000183010 [0,1,0,1,0,0|2,0,0]=4 20312 B14R1.7343 O=C(CCO)NC1CCCCCCC1 240690a_100000211152_100011216618 [0,1,0,1,0,0|2,0,0]=4 20313 B14R1.7343 O=C(CN1CCCCCCC1)NCO 2230a_100000211400_100000185155 [0,1,0,1,0,0|2,0,0]=4 20314 B14R1.7343 O=C(CN1CCCCCCC1)NCO 269982a_100000211400_100000185155 [0,1,0,1,0,0|2,0,0]=4 20315 B14R1.7343 O=C(CN1CCCCCCC1)NCO 34a_100000211400_100000185155 [0,1,0,1,0,0|2,0,0]=4 20316 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_100000183010_200025704644 [0,1,0,1,0,0|2,0,0]=4 20317 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_200025704644_100000183010 [0,1,0,1,0,0|2,0,0]=4 20318 B14R1.122 CCCCCCCCc1nc(no1)C 270196a_100000212224_100000210188 [0,1,0,1,0,0|1,0,1]=4 20319 B14R1.122 CCCCCCCCc1noc(n1)C 270196a_100011215235_100000070787 [0,1,0,1,0,0|1,0,1]=4 20320 B14R1.123 CCCCCCCCN1CCCOC1 2230a_100000131196_100000210759 [0,1,0,1,0,0|2,0,0]=4 20321 B14R1.123 CCCCCCCCN1CCCOC1 269982a_100000131196_100000210759 [0,1,0,1,0,0|2,0,0]=4 20322 B14R1.123 CCCCCCCCN1CCCOC1 34a_100000131196_100000210759 [0,1,0,1,0,0|2,0,0]=4 20323 B14R1.156 C#CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000753159 [0,1,0,1,0,0|1,0,1]=4 20324 B14R1.156 C#CCCC(=O)CCC1CCCCC1 1458a_100000692101_100011273959 [0,1,0,1,0,0|1,0,1]=4 20325 B14R1.156 C#CCNC(=O)CCC1CCCCC1 11a_100000212058_100000211375 [0,1,0,1,0,0|1,0,1]=4 20326 B14R1.156 C#CCNC(=O)CCC1CCCCC1 1626a_100000212058_100000211375 [0,1,0,1,0,0|1,0,1]=4 20327 B14R1.156 C#CCNC(=O)CCC1CCCCC1 240690a_100000212058_100000211375 [0,1,0,1,0,0|1,0,1]=4 20328 B14R1.156 C#CCNC(=O)CCC1CCCCC1 527a_100000212058_100000211375 [0,1,0,1,0,0|1,0,1]=4 20329 B14R1.156 C/C=C/CC(=O)CCC1CCCCC1 1458a_100000211375_100102629194 [0,1,0,1,0,0|1,0,1]=4 20330 B14R1.156 C=C(CNC1CCCCC1)OCOC 34a_100000182618_100000042856 [0,1,0,1,0,0|2,0,0]=4 20331 B14R1.156 C=C(COC1CCCCC1)OCOC 34a_100000210231_100000042856 [0,1,0,1,0,0|2,0,0]=4 20332 B14R1.156 C=C(CSC1CCCCC1)OCOC 62a_100000042856_100000210327 [0,1,0,1,0,0|2,0,0]=4 20333 B14R1.156 C=C(CSC1CCCCC1)OCOC 62a_100000210327_100000042856 [0,1,0,1,0,0|2,0,0]=4 20334 B14R1.156 C=CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000754431 [0,1,0,1,0,0|1,0,1]=4 20335 B14R1.156 C=CCCC(=O)CCC1CCCCC1 1458a_100000749702_100011273959 [0,1,0,1,0,0|1,0,1]=4 20336 B14R1.156 C=CCNC(=O)CCC1CCCCC1 1626a_100020586998_100000211375 [0,1,0,1,0,0|1,0,1]=4 20337 B14R1.156 C=CCNC(=O)CCC1CCCCC1 240690a_100020586998_100000211375 [0,1,0,1,0,0|1,0,1]=4 20338 B14R1.156 C=CCNC(=O)CCC1CCCCC1 527a_100020586998_100000211375 [0,1,0,1,0,0|1,0,1]=4 20339 B14R1.156 C=CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000033060 [0,1,0,1,0,0|1,0,1]=4 20340 B14R1.156 C=CCOC(=O)CNC1CCCCC1 34a_100000182618_100000033060 [0,1,0,1,0,0|1,0,1]=4 20341 B14R1.156 C=CCOC(=O)COC1CCCCC1 34a_100000210231_100000033060 [0,1,0,1,0,0|1,0,1]=4 20342 B14R1.156 C=CCOC(=O)COC1CCCCC1 7a_100000210231_100000033060 [0,1,0,1,0,0|1,0,1]=4 20343 B14R1.156 C=CCOC(=O)CSC1CCCCC1 62a_100000033060_100000210327 [0,1,0,1,0,0|1,0,1]=4 20344 B14R1.156 C=CCOC(=O)CSC1CCCCC1 62a_100000210327_100000033060 [0,1,0,1,0,0|1,0,1]=4 20345 B14R1.156 CC#CCC(=O)CCC1CCCCC1 1458a_100000211375_100000748600 [0,1,0,1,0,0|1,0,1]=4 20346 B14R1.156 CC=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000070051 [0,1,0,1,0,0|1,0,1]=4 20347 B14R1.156 CC=CCC(=O)CCC1CCCCC1 1458a_100121576822_100011273959 [0,1,0,1,0,0|1,0,1]=4 20348 B14R1.156 CCC#CC(=O)CCC1CCCCC1 1458a_100011827653_100011273959 [0,1,0,1,0,0|1,0,0]=3 20349 B14R1.156 CCC#CC(=O)CCC1CCOCC1 1458a_100011827653_100011934994 [0,1,0,1,0,0|2,0,0]=4 20350 B14R1.156 CCC#CC(=O)CCN1CCCCC1 1458a_100011827653_100000739454 [0,1,0,1,0,0|2,0,0]=4 20351 B14R1.156 CCC#CC(=O)COC1CCCCC1 1458a_100011827653_100011935260 [0,1,0,1,0,0|2,0,0]=4 20352 B14R1.156 CCC=CC(=O)CCC1CCCCC1 1458a_100000212282_100011273959 [0,1,0,1,0,0|1,0,0]=3 20353 B14R1.156 CCC=CC(=O)CCC1CCOCC1 1458a_100000212282_100011934994 [0,1,0,1,0,0|2,0,0]=4 20354 B14R1.156 CCC=CC(=O)CCN1CCCCC1 1458a_100000212282_100000739454 [0,1,0,1,0,0|2,0,0]=4 20355 B14R1.156 CCC=CC(=O)COC1CCCCC1 1458a_100000212282_100011935260 [0,1,0,1,0,0|2,0,0]=4 20356 B14R1.156 CCC=CC(=O)NCC1CCCCC1 11a_100000210473_100000212282 [0,1,0,1,0,0|2,0,0]=4 20357 B14R1.156 CCC=CC(=O)NCC1CCCCC1 1626a_100000210473_100000212282 [0,1,0,1,0,0|2,0,0]=4 20358 B14R1.156 CCC=CC(=O)NCC1CCCCC1 240690a_100000210473_100000212282 [0,1,0,1,0,0|2,0,0]=4 20359 B14R1.156 CCCCC(=O)CCC1CCCCC1 1458a_100000210183_100011273959 [0,1,0,1,0,0|1,0,0]=3 20360 B14R1.156 CCCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210211 [0,1,0,1,0,0|1,0,0]=3 20361 B14R1.156 CCCCC(=O)CCC1CCOCC1 1458a_100000210183_100011934994 [0,1,0,1,0,0|2,0,0]=4 20362 B14R1.156 CCCCC(=O)CCN1CCCCC1 1458a_100000210183_100000739454 [0,1,0,1,0,0|2,0,0]=4 20363 B14R1.156 CCCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210211 [0,1,0,1,0,0|2,0,0]=4 20364 B14R1.156 CCCCC(=O)COC1CCCCC1 1458a_100000210183_100011935260 [0,1,0,1,0,0|2,0,0]=4 20365 B14R1.156 CCCCC(=O)COC1CCCCC1 1458a_100011223303_100000210211 [0,1,0,1,0,0|2,0,0]=4 20366 B14R1.156 CCCCC(=O)NCC1CCCCC1 11a_100000210473_100000210183 [0,1,0,1,0,0|2,0,0]=4 20367 B14R1.156 CCCCC(=O)NCC1CCCCC1 1626a_100000210473_100000210183 [0,1,0,1,0,0|2,0,0]=4 20368 B14R1.156 CCCCC(=O)NCC1CCCCC1 240690a_100000210473_100000210183 [0,1,0,1,0,0|2,0,0]=4 20369 B14R1.156 CCCCC(=O)NCC1CCCCC1 527a_100000210473_100000210183 [0,1,0,1,0,0|2,0,0]=4 20370 B14R1.156 CCCNC(=O)CCC1CCCCC1 11a_100020643023_100000211375 [0,1,0,1,0,0|1,0,0]=3 20371 B14R1.156 CCCNC(=O)CCC1CCCCC1 1626a_100020643023_100000211375 [0,1,0,1,0,0|1,0,0]=3 20372 B14R1.156 CCCNC(=O)CCC1CCCCC1 240690a_100020643023_100000211375 [0,1,0,1,0,0|1,0,0]=3 20373 B14R1.156 CCCNC(=O)CCC1CCCCC1 527a_100020643023_100000211375 [0,1,0,1,0,0|1,0,0]=3 20374 B14R1.156 CCCNC(=O)CCN1CCCCC1 240690a_100020643023_100000743487 [0,1,0,1,0,0|2,0,0]=4 20375 B14R1.156 CCCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183358 [0,1,0,1,0,0|2,0,0]=4 20376 B14R1.156 CCCNC(=O)CNC1CCCCC1 270004a_100000174927_100000210434 [0,1,0,1,0,0|2,0,0]=4 20377 B14R1.156 CCCNC(=O)CNC1CCCCC1 34a_100000182618_100000183358 [0,1,0,1,0,0|2,0,0]=4 20378 B14R1.156 CCCNC(=O)COC1CCCCC1 11a_100020643023_100011223303 [0,1,0,1,0,0|2,0,0]=4 20379 B14R1.156 CCCNC(=O)COC1CCCCC1 1626a_100020643023_100011223303 [0,1,0,1,0,0|2,0,0]=4 20380 B14R1.156 CCCNC(=O)COC1CCCCC1 240690a_100020643023_100011223303 [0,1,0,1,0,0|2,0,0]=4 20381 B14R1.156 CCCNC(=O)COC1CCCCC1 34a_100000210231_100000183358 [0,1,0,1,0,0|2,0,0]=4 20382 B14R1.156 CCCNC(=O)COC1CCCCC1 527a_100020643023_100011223303 [0,1,0,1,0,0|2,0,0]=4 20383 B14R1.156 CCCNC(=O)COC1CCCCC1 7a_100000210231_100000183358 [0,1,0,1,0,0|2,0,0]=4 20384 B14R1.156 CCCNC(=O)CSC1CCCCC1 62a_100000183358_100000210327 [0,1,0,1,0,0|2,0,0]=4 20385 B14R1.156 CCCNC(=O)CSC1CCCCC1 62a_100000210327_100000183358 [0,1,0,1,0,0|2,0,0]=4 20386 B14R1.156 CCCNC(=O)NCC1CCCCC1 2708a_100000210473_100020643023 [0,1,0,1,0,0|2,0,0]=4 20387 B14R1.156 CCCNC(=O)NCC1CCCCC1 2708a_100020643023_100000210473 [0,1,0,1,0,0|2,0,0]=4 20388 B14R1.156 CCCNC(=O)NCC1CCCCC1 273464a_100000210473_100020643023 [0,1,0,1,0,0|2,0,0]=4 20389 B14R1.156 CCCNC(=O)NCC1CCCCC1 273464a_100020643023_100000210473 [0,1,0,1,0,0|2,0,0]=4 20390 B14R1.156 CCCNC(=O)NCC1CCCCC1 512a_100020643023_100000210473 [0,1,0,1,0,0|2,0,0]=4 20391 B14R1.156 CCCOC(=O)CNC1CCCCC1 2230a_100000182618_200011215008 [0,1,0,1,0,0|1,0,0]=3 20392 B14R1.156 CCCOC(=O)CNC1CCCCC1 34a_100000182618_200011215008 [0,1,0,1,0,0|1,0,0]=3 20393 B14R1.156 CCCOC(=O)CNC1CCCOC1 2230a_100000719290_200011215008 [0,1,0,1,0,0|2,0,0]=4 20394 B14R1.156 CCCOC(=O)CNC1CCCOC1 34a_100000719290_200011215008 [0,1,0,1,0,0|2,0,0]=4 20395 B14R1.156 CCCOC(=O)CNC1CCOCC1 2230a_100000741149_200011215008 [0,1,0,1,0,0|2,0,0]=4 20396 B14R1.156 CCCOC(=O)CNC1CCOCC1 34a_100000741149_200011215008 [0,1,0,1,0,0|2,0,0]=4 20397 B14R1.156 CCCOC(=O)CNC1CCSCC1 2230a_100000748639_200011215008 [0,1,0,1,0,0|2,0,0]=4 20398 B14R1.156 CCCOC(=O)CNC1CCSCC1 34a_100000748639_200011215008 [0,1,0,1,0,0|2,0,0]=4 20399 B14R1.156 CCCOC(=O)COC1CCCCC1 34a_100000210231_200011215008 [0,1,0,1,0,0|1,0,0]=3 20400 B14R1.156 CCCOC(=O)COC1CCCCC1 7a_100000210231_200011215008 [0,1,0,1,0,0|1,0,0]=3 20401 B14R1.156 CCCOC(=O)COC1CCCCO1 34a_100000033831_200011215008 [0,1,0,1,0,0|2,0,0]=4 20402 B14R1.156 CCCOC(=O)COC1CCCOC1 34a_100000754041_200011215008 [0,1,0,1,0,0|2,0,0]=4 20403 B14R1.156 CCCOC(=O)COC1CCCSC1 7a_100015962668_200011215008 [0,1,0,1,0,0|2,0,0]=4 20404 B14R1.156 CCCOC(=O)COC1CCOCC1 34a_100000744328_200011215008 [0,1,0,1,0,0|2,0,0]=4 20405 B14R1.156 CCCOC(=O)COC1CCSCC1 34a_100000731022_200011215008 [0,1,0,1,0,0|2,0,0]=4 20406 B14R1.156 CCCOC(=O)COC1CCSCC1 7a_100000731022_200011215008 [0,1,0,1,0,0|2,0,0]=4 20407 B14R1.156 CCCOC(=O)CSC1CCCCC1 62a_100000210327_200011215008 [0,1,0,1,0,0|1,0,0]=3 20408 B14R1.156 CCCOC(=O)CSC1CCCCC1 62a_200011215008_100000210327 [0,1,0,1,0,0|1,0,0]=3 20409 B14R1.156 CCCOC(=O)CSC1CCCOC1 62a_200011215008_100000693364 [0,1,0,1,0,0|2,0,0]=4 20410 B14R1.156 CCCOC(=O)CSC1CCOCC1 62a_200011215008_100011324220 [0,1,0,1,0,0|2,0,0]=4 20411 B14R1.156 CCCOC(=O)CSC1CCSCC1 62a_200011215008_100000069128 [0,1,0,1,0,0|2,0,0]=4 20412 B14R1.156 CCNCC(=O)NCC1CCCCC1 2230a_100015525214_100000183341 [0,1,0,1,0,0|2,0,0]=4 20413 B14R1.156 CCNNC(=O)CCC1CCCCC1 22a_100000756455_100000211375 [0,1,0,1,0,0|1,0,0]=3 20414 B14R1.156 CCNNC(=O)CCN1CCCCC1 22a_100000756455_100000743487 [0,1,0,1,0,0|2,0,0]=4 20415 B14R1.156 CCNNC(=O)COC1CCCCC1 22a_100000756455_100011223303 [0,1,0,1,0,0|2,0,0]=4 20416 B14R1.156 CCNNC(=O)NCC1CCCCC1 273464a_100000210473_100000756455 [0,1,0,1,0,0|2,0,0]=4 20417 B14R1.156 CCNNC(=O)NCC1CCCCC1 512a_100000756455_100000210473 [0,1,0,1,0,0|2,0,0]=4 20418 B14R1.156 CCOCC(=O)CCC1CCCCC1 1458a_100000211967_100011273959 [0,1,0,1,0,0|0,0,0]=2 20419 B14R1.156 CCOCC(=O)CCC1CCOCC1 1458a_100000211967_100011934994 [0,1,0,1,0,0|1,0,0]=3 20420 B14R1.156 CCOCC(=O)CCC1OCCCO1 1458a_100000211967_100000764188 [0,1,0,1,0,0|2,0,0]=4 20421 B14R1.156 CCOCC(=O)CCN1CCCCC1 1458a_100000211967_100000739454 [0,1,0,1,0,0|1,0,0]=3 20422 B14R1.156 CCOCC(=O)CCN1CCOCC1 1458a_100000211967_100000753993 [0,1,0,1,0,0|2,0,0]=4 20423 B14R1.156 CCOCC(=O)COC1CCCCC1 1458a_100000211967_100011935260 [0,1,0,1,0,0|1,0,0]=3 20424 B14R1.156 CCOCC(=O)NCC1CCCCC1 11a_100000210473_100000211967 [0,1,0,1,0,0|1,0,0]=3 20425 B14R1.156 CCOCC(=O)NCC1CCCCC1 1626a_100000210473_100000211967 [0,1,0,1,0,0|1,0,0]=3 20426 B14R1.156 CCOCC(=O)NCC1CCCCC1 240690a_100000210473_100000211967 [0,1,0,1,0,0|1,0,0]=3 20427 B14R1.156 CCOCC(=O)NCC1CCCCC1 34a_100121572206_100000183341 [0,1,0,1,0,0|1,0,0]=3 20428 B14R1.156 CCOCC(=O)NCC1CCCCC1 527a_100000210473_100000211967 [0,1,0,1,0,0|1,0,0]=3 20429 B14R1.156 CCOCC(=O)NCC1CCCCO1 11a_100000174945_100000211967 [0,1,0,1,0,0|2,0,0]=4 20430 B14R1.156 CCOCC(=O)NCC1CCCCO1 1626a_100000174945_100000211967 [0,1,0,1,0,0|2,0,0]=4 20431 B14R1.156 CCOCC(=O)NCC1CCCCO1 240690a_100000174945_100000211967 [0,1,0,1,0,0|2,0,0]=4 20432 B14R1.156 CCOCC(=O)NCC1CCCCO1 527a_100000174945_100000211967 [0,1,0,1,0,0|2,0,0]=4 20433 B14R1.156 CCOCC(=O)NCC1CCCOC1 11a_100000720124_100000211967 [0,1,0,1,0,0|2,0,0]=4 20434 B14R1.156 CCOCC(=O)NCC1CCCOC1 1626a_100000720124_100000211967 [0,1,0,1,0,0|2,0,0]=4 20435 B14R1.156 CCOCC(=O)NCC1CCCOC1 240690a_100000720124_100000211967 [0,1,0,1,0,0|2,0,0]=4 20436 B14R1.156 CCOCC(=O)NCC1CCCOC1 527a_100000720124_100000211967 [0,1,0,1,0,0|2,0,0]=4 20437 B14R1.156 CCOCC(=O)NCC1CCOCC1 11a_100000746373_100000211967 [0,1,0,1,0,0|2,0,0]=4 20438 B14R1.156 CCOCC(=O)NCC1CCOCC1 1626a_100000746373_100000211967 [0,1,0,1,0,0|2,0,0]=4 20439 B14R1.156 CCOCC(=O)NCC1CCOCC1 240690a_100000746373_100000211967 [0,1,0,1,0,0|2,0,0]=4 20440 B14R1.156 CCOCC(=O)NCC1CCOCC1 527a_100000746373_100000211967 [0,1,0,1,0,0|2,0,0]=4 20441 B14R1.156 CCOCC(=O)NCC1CCSCC1 11a_100015188806_100000211967 [0,1,0,1,0,0|2,0,0]=4 20442 B14R1.156 CCOCC(=O)NCC1CCSCC1 240690a_100015188806_100000211967 [0,1,0,1,0,0|2,0,0]=4 20443 B14R1.156 CCOCC(=O)NCC1CCSCC1 527a_100015188806_100000211967 [0,1,0,1,0,0|2,0,0]=4 20444 B14R1.156 CCOCC(=O)NNC1CCCCC1 22a_100000709804_100000211967 [0,1,0,1,0,0|2,0,0]=4 20445 B14R1.156 CCSCC(=O)CCC1CCCCC1 1458a_100000230394_100011273959 [0,1,0,1,0,0|0,1,0]=3 20446 B14R1.156 CCSCC(=O)CCC1CCOCC1 1458a_100000230394_100011934994 [0,1,0,1,0,0|1,1,0]=4 20447 B14R1.156 CCSCC(=O)CCN1CCCCC1 1458a_100000230394_100000739454 [0,1,0,1,0,0|1,1,0]=4 20448 B14R1.156 CCSCC(=O)COC1CCCCC1 1458a_100000230394_100011935260 [0,1,0,1,0,0|1,1,0]=4 20449 B14R1.156 CCSCC(=O)NCC1CCCCC1 11a_100000210473_100000230394 [0,1,0,1,0,0|1,1,0]=4 20450 B14R1.156 CCSCC(=O)NCC1CCCCC1 1626a_100000210473_100000230394 [0,1,0,1,0,0|1,1,0]=4 20451 B14R1.156 CCSCC(=O)NCC1CCCCC1 240690a_100000210473_100000230394 [0,1,0,1,0,0|1,1,0]=4 20452 B14R1.156 CCSCC(=O)NCC1CCCCC1 527a_100000210473_100000230394 [0,1,0,1,0,0|1,1,0]=4 20453 B14R1.156 CCSCC(=O)NCC1CCCCC1 62a_100000183341_100000210202 [0,1,0,1,0,0|1,1,0]=4 20454 B14R1.156 CCSCC(=O)NCC1CCCCC1 62a_100000210202_100000183341 [0,1,0,1,0,0|1,1,0]=4 20455 B14R1.156 COC=CC(=O)CCC1CCCCC1 1458a_100016268678_100011273959 [0,1,0,1,0,0|1,0,1]=4 20456 B14R1.156 COCCC(=O)CCC1CCCCC1 1458a_100000211375_100000233755 [0,1,0,1,0,0|1,0,0]=3 20457 B14R1.156 COCCC(=O)CCC1CCCCC1 1458a_100000749529_100011273959 [0,1,0,1,0,0|1,0,0]=3 20458 B14R1.156 COCCC(=O)CCC1CCOCC1 1458a_100000749529_100011934994 [0,1,0,1,0,0|2,0,0]=4 20459 B14R1.156 COCCC(=O)CCN1CCCCC1 1458a_100000743487_100000233755 [0,1,0,1,0,0|2,0,0]=4 20460 B14R1.156 COCCC(=O)CCN1CCCCC1 1458a_100000749529_100000739454 [0,1,0,1,0,0|2,0,0]=4 20461 B14R1.156 COCCC(=O)COC1CCCCC1 1458a_100000749529_100011935260 [0,1,0,1,0,0|2,0,0]=4 20462 B14R1.156 COCCC(=O)COC1CCCCC1 1458a_100011223303_100000233755 [0,1,0,1,0,0|2,0,0]=4 20463 B14R1.156 COCCC(=O)NCC1CCCCC1 11a_100000210473_100000749529 [0,1,0,1,0,0|2,0,0]=4 20464 B14R1.156 COCCC(=O)NCC1CCCCC1 1626a_100000210473_100000749529 [0,1,0,1,0,0|2,0,0]=4 20465 B14R1.156 COCCC(=O)NCC1CCCCC1 240690a_100000210473_100000749529 [0,1,0,1,0,0|2,0,0]=4 20466 B14R1.156 COCCC(=O)NCC1CCCCC1 527a_100000210473_100000749529 [0,1,0,1,0,0|2,0,0]=4 20467 B14R1.156 CSCCC(=O)CCC1CCCCC1 1458a_100000174002_100011273959 [0,1,0,1,0,0|1,0,0]=3 20468 B14R1.156 CSCCC(=O)CCC1CCCCC1 1458a_100000211375_100000751147 [0,1,0,1,0,0|1,0,0]=3 20469 B14R1.156 CSCCC(=O)CCC1CCOCC1 1458a_100000174002_100011934994 [0,1,0,1,0,0|2,0,0]=4 20470 B14R1.156 CSCCC(=O)CCN1CCCCC1 1458a_100000174002_100000739454 [0,1,0,1,0,0|2,0,0]=4 20471 B14R1.156 CSCCC(=O)CCN1CCCCC1 1458a_100000743487_100000751147 [0,1,0,1,0,0|2,0,0]=4 20472 B14R1.156 CSCCC(=O)COC1CCCCC1 1458a_100000174002_100011935260 [0,1,0,1,0,0|2,0,0]=4 20473 B14R1.156 CSCCC(=O)COC1CCCCC1 1458a_100011223303_100000751147 [0,1,0,1,0,0|2,0,0]=4 20474 B14R1.156 CSCCC(=O)NCC1CCCCC1 11a_100000210473_100000174002 [0,1,0,1,0,0|2,0,0]=4 20475 B14R1.156 CSCCC(=O)NCC1CCCCC1 1626a_100000210473_100000174002 [0,1,0,1,0,0|2,0,0]=4 20476 B14R1.156 CSCCC(=O)NCC1CCCCC1 240690a_100000210473_100000174002 [0,1,0,1,0,0|2,0,0]=4 20477 B14R1.156 CSCCC(=O)NCC1CCCCC1 527a_100000210473_100000174002 [0,1,0,1,0,0|2,0,0]=4 20478 B14R1.156 N#CCCC(=O)CCC1CCCCC1 1458a_100000211375_100011215226 [0,1,0,1,0,0|1,0,1]=4 20479 B14R1.156 N#CCCC(=O)CCC1CCCCC1 1458a_100011934036_100011273959 [0,1,0,1,0,0|1,0,1]=4 20480 B14R1.156 N#CCNC(=O)CCC1CCCCC1 1626a_100000734998_100000211375 [0,1,0,1,0,0|1,0,1]=4 20481 B14R1.156 N#CCNC(=O)CCC1CCCCC1 527a_100000734998_100000211375 [0,1,0,1,0,0|1,0,1]=4 20482 B14R1.156 O=C(C#CCO)CCC1CCCCC1 1458a_100000049017_100011273959 [0,1,0,1,0,0|1,0,1]=4 20483 B14R1.156 O=C(CCC1CCCCC1)NCCF 11a_100000724931_100000211375 [0,1,0,1,0,0|1,0,0]=3 20484 B14R1.156 O=C(CCC1CCCCC1)NCCF 1626a_100000724931_100000211375 [0,1,0,1,0,0|1,0,0]=3 20485 B14R1.156 O=C(CCC1CCCCC1)NCCF 240690a_100000724931_100000211375 [0,1,0,1,0,0|1,0,0]=3 20486 B14R1.156 O=C(CCC1CCCCC1)NCCF 527a_100000724931_100000211375 [0,1,0,1,0,0|1,0,0]=3 20487 B14R1.156 O=C(CCC1CCCCC1)NCCO 240690a_100000210304_100000211375 [0,1,0,1,0,0|1,0,0]=3 20488 B14R1.156 O=C(CCC1CCCCC1)NCCO 527a_100000210304_100000211375 [0,1,0,1,0,0|1,0,0]=3 20489 B14R1.156 O=C(CCCF)CCC1CCCCC1 1458a_100000211375_100011934791 [0,1,0,1,0,0|1,0,0]=3 20490 B14R1.156 O=C(CCCF)CCN1CCCCC1 1458a_100000743487_100011934791 [0,1,0,1,0,0|2,0,0]=4 20491 B14R1.156 O=C(CCCF)COC1CCCCC1 1458a_100011223303_100011934791 [0,1,0,1,0,0|2,0,0]=4 20492 B14R1.156 O=C(CCCO)CCC1CCCCC1 1458a_100000211375_100011215043 [0,1,0,1,0,0|1,0,0]=3 20493 B14R1.156 O=C(CCCO)CCN1CCCCC1 1458a_100000743487_100011215043 [0,1,0,1,0,0|2,0,0]=4 20494 B14R1.156 O=C(CCCO)COC1CCCCC1 1458a_100011223303_100011215043 [0,1,0,1,0,0|2,0,0]=4 20495 B14R1.156 O=C(CCN1CCCCC1)NCCF 240690a_100000724931_100000743487 [0,1,0,1,0,0|2,0,0]=4 20496 B14R1.156 O=C(CCN1CCCCC1)NCCO 240690a_100000210304_100000743487 [0,1,0,1,0,0|2,0,0]=4 20497 B14R1.156 O=C(CNC1CCCCC1)NCCF 270004a_100000725713_100000210434 [0,1,0,1,0,0|2,0,0]=4 20498 B14R1.156 O=C(COC1CCCCC1)NCCF 11a_100000724931_100011223303 [0,1,0,1,0,0|2,0,0]=4 20499 B14R1.156 O=C(COC1CCCCC1)NCCF 1626a_100000724931_100011223303 [0,1,0,1,0,0|2,0,0]=4 20500 B14R1.156 O=C(COC1CCCCC1)NCCF 240690a_100000724931_100011223303 [0,1,0,1,0,0|2,0,0]=4 20501 B14R1.156 O=C(COC1CCCCC1)NCCF 527a_100000724931_100011223303 [0,1,0,1,0,0|2,0,0]=4 20502 B14R1.156 O=C(COC1CCCCC1)NCCO 240690a_100000210304_100011223303 [0,1,0,1,0,0|2,0,0]=4 20503 B14R1.156 O=C(COC1CCCCC1)NCCO 527a_100000210304_100011223303 [0,1,0,1,0,0|2,0,0]=4 20504 B14R1.156 O=C(NCCF)NCC1CCCCC1 2708a_100000210473_100000724931 [0,1,0,1,0,0|2,0,0]=4 20505 B14R1.156 O=C(NCCF)NCC1CCCCC1 273464a_100000210473_100000724931 [0,1,0,1,0,0|2,0,0]=4 20506 B14R1.156 O=C(NCCF)NCC1CCCCC1 273464a_100000724931_100000210473 [0,1,0,1,0,0|2,0,0]=4 20507 B14R1.156 O=C(NCCO)NCC1CCCCC1 2708a_100000210473_100000210304 [0,1,0,1,0,0|2,0,0]=4 20508 B14R1.156 O=C(NCCO)NCC1CCCCC1 273464a_100000210304_100000210473 [0,1,0,1,0,0|2,0,0]=4 20509 B14R1.156 O=C(NCCO)NCC1CCCCC1 273464a_100000210473_100000210304 [0,1,0,1,0,0|2,0,0]=4 20510 B14R1.177 C#CCCC(=O)CCCC1CCCC1 1458a_100000692101_100011713738 [0,1,0,1,0,0|1,0,1]=4 20511 B14R1.177 C=C(CNCC1CCCC1)OCOC 34a_100000737975_100000042856 [0,1,0,1,0,0|2,0,0]=4 20512 B14R1.177 C=C(COCC1CCCC1)OCOC 34a_100000742336_100000042856 [0,1,0,1,0,0|2,0,0]=4 20513 B14R1.177 C=C(CSCC1CCCC1)OCOC 62a_100000042856_100000740388 [0,1,0,1,0,0|2,0,0]=4 20514 B14R1.177 C=C(CSCC1CCCC1)OCOC 62a_100000740388_100000042856 [0,1,0,1,0,0|2,0,0]=4 20515 B14R1.177 C=CCCC(=O)CCCC1CCCC1 1458a_100000749702_100011713738 [0,1,0,1,0,0|1,0,1]=4 20516 B14R1.177 C=CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000033060 [0,1,0,1,0,0|1,0,1]=4 20517 B14R1.177 C=CCOC(=O)CNCC1CCCC1 34a_100000737975_100000033060 [0,1,0,1,0,0|1,0,1]=4 20518 B14R1.177 C=CCOC(=O)COCC1CCCC1 34a_100000742336_100000033060 [0,1,0,1,0,0|1,0,1]=4 20519 B14R1.177 C=CCOC(=O)COCC1CCCC1 7a_100000742336_100000033060 [0,1,0,1,0,0|1,0,1]=4 20520 B14R1.177 C=CCOC(=O)CSCC1CCCC1 62a_100000033060_100000740388 [0,1,0,1,0,0|1,0,1]=4 20521 B14R1.177 C=CCOC(=O)CSCC1CCCC1 62a_100000740388_100000033060 [0,1,0,1,0,0|1,0,1]=4 20522 B14R1.177 CC=CCC(=O)CCCC1CCCC1 1458a_100121576822_100011713738 [0,1,0,1,0,0|1,0,1]=4 20523 B14R1.177 CCC#CC(=O)CCCC1CCCC1 1458a_100011827653_100011713738 [0,1,0,1,0,0|1,0,0]=3 20524 B14R1.177 CCC#CC(=O)CCCN1CCCC1 1458a_100011827653_100011445909 [0,1,0,1,0,0|2,0,0]=4 20525 B14R1.177 CCC=CC(=O)CCCC1CCCC1 1458a_100000212282_100011713738 [0,1,0,1,0,0|1,0,0]=3 20526 B14R1.177 CCC=CC(=O)CCCN1CCCC1 1458a_100000212282_100011445909 [0,1,0,1,0,0|2,0,0]=4 20527 B14R1.177 CCC=CC(=O)NCCC1CCCC1 11a_100000739158_100000212282 [0,1,0,1,0,0|2,0,0]=4 20528 B14R1.177 CCC=CC(=O)NCCC1CCCC1 1626a_100000739158_100000212282 [0,1,0,1,0,0|2,0,0]=4 20529 B14R1.177 CCC=CC(=O)NCCC1CCCC1 240690a_100000739158_100000212282 [0,1,0,1,0,0|2,0,0]=4 20530 B14R1.177 CCCCC(=O)CCCC1CCCC1 1458a_100000210183_100011713738 [0,1,0,1,0,0|1,0,0]=3 20531 B14R1.177 CCCCC(=O)CCCN1CCCC1 1458a_100000210183_100011445909 [0,1,0,1,0,0|2,0,0]=4 20532 B14R1.177 CCCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210211 [0,1,0,1,0,0|2,0,0]=4 20533 B14R1.177 CCCCC(=O)NCCC1CCCC1 11a_100000739158_100000210183 [0,1,0,1,0,0|2,0,0]=4 20534 B14R1.177 CCCCC(=O)NCCC1CCCC1 1626a_100000739158_100000210183 [0,1,0,1,0,0|2,0,0]=4 20535 B14R1.177 CCCCC(=O)NCCC1CCCC1 240690a_100000739158_100000210183 [0,1,0,1,0,0|2,0,0]=4 20536 B14R1.177 CCCCC(=O)NCCC1CCCC1 527a_100000739158_100000210183 [0,1,0,1,0,0|2,0,0]=4 20537 B14R1.177 CCCNC(=O)CCCN1CCCC1 2230a_100000188435_100011194427 [0,1,0,1,0,0|2,0,0]=4 20538 B14R1.177 CCCNC(=O)CCCN1CCCC1 240690a_100020643023_100000743284 [0,1,0,1,0,0|2,0,0]=4 20539 B14R1.177 CCCNC(=O)CCCN1CCCC1 269982a_100000188435_100011194427 [0,1,0,1,0,0|2,0,0]=4 20540 B14R1.177 CCCNC(=O)CNCC1CCCC1 2230a_100000174927_100000740388 [0,1,0,1,0,0|2,0,0]=4 20541 B14R1.177 CCCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183358 [0,1,0,1,0,0|2,0,0]=4 20542 B14R1.177 CCCNC(=O)CNCC1CCCC1 269862a_100000174927_100000746403 [0,1,0,1,0,0|2,0,0]=4 20543 B14R1.177 CCCNC(=O)CNCC1CCCC1 34a_100000737975_100000183358 [0,1,0,1,0,0|2,0,0]=4 20544 B14R1.177 CCCNC(=O)COCC1CCCC1 34a_100000742336_100000183358 [0,1,0,1,0,0|2,0,0]=4 20545 B14R1.177 CCCNC(=O)COCC1CCCC1 7a_100000742336_100000183358 [0,1,0,1,0,0|2,0,0]=4 20546 B14R1.177 CCCNC(=O)CSCC1CCCC1 62a_100000183358_100000740388 [0,1,0,1,0,0|2,0,0]=4 20547 B14R1.177 CCCNC(=O)CSCC1CCCC1 62a_100000740388_100000183358 [0,1,0,1,0,0|2,0,0]=4 20548 B14R1.177 CCCNC(=O)NCCC1CCCC1 2708a_100000739158_100020643023 [0,1,0,1,0,0|2,0,0]=4 20549 B14R1.177 CCCNC(=O)NCCC1CCCC1 2708a_100020643023_100000739158 [0,1,0,1,0,0|2,0,0]=4 20550 B14R1.177 CCCNC(=O)NCCC1CCCC1 273464a_100000739158_100020643023 [0,1,0,1,0,0|2,0,0]=4 20551 B14R1.177 CCCNC(=O)NCCC1CCCC1 273464a_100020643023_100000739158 [0,1,0,1,0,0|2,0,0]=4 20552 B14R1.177 CCCNC(=O)NCCC1CCCC1 512a_100000739158_100020643023 [0,1,0,1,0,0|2,0,0]=4 20553 B14R1.177 CCCNC(=O)NCCC1CCCC1 512a_100020643023_100000739158 [0,1,0,1,0,0|2,0,0]=4 20554 B14R1.177 CCCOC(=O)CNCC1CCCC1 2230a_100000737975_200011215008 [0,1,0,1,0,0|1,0,0]=3 20555 B14R1.177 CCCOC(=O)CNCC1CCCC1 34a_100000737975_200011215008 [0,1,0,1,0,0|1,0,0]=3 20556 B14R1.177 CCCOC(=O)CNCC1CCOC1 2230a_100000737293_200011215008 [0,1,0,1,0,0|2,0,0]=4 20557 B14R1.177 CCCOC(=O)CNCC1CCOC1 34a_100000737293_200011215008 [0,1,0,1,0,0|2,0,0]=4 20558 B14R1.177 CCCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_200011215008 [0,1,0,1,0,0|2,0,0]=4 20559 B14R1.177 CCCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_200011215008 [0,1,0,1,0,0|2,0,0]=4 20560 B14R1.177 CCCOC(=O)COCC1CCCC1 34a_100000742336_200011215008 [0,1,0,1,0,0|1,0,0]=3 20561 B14R1.177 CCCOC(=O)COCC1CCCC1 7a_100000742336_200011215008 [0,1,0,1,0,0|1,0,0]=3 20562 B14R1.177 CCCOC(=O)COCC1CCCO1 34a_100000210270_200011215008 [0,1,0,1,0,0|2,0,0]=4 20563 B14R1.177 CCCOC(=O)COCC1CCCO1 7a_100000210270_200011215008 [0,1,0,1,0,0|2,0,0]=4 20564 B14R1.177 CCCOC(=O)COCC1CCNC1 34a_100000748654_200011215008 [0,1,0,1,0,0|2,0,0]=4 20565 B14R1.177 CCCOC(=O)COCC1CCOC1 34a_100000740260_200011215008 [0,1,0,1,0,0|2,0,0]=4 20566 B14R1.177 CCCOC(=O)COC[C@H]1CCCN1 34a_100000745186_200011215008 [0,1,0,1,0,0|2,0,0]=4 20567 B14R1.177 CCCOC(=O)CSCC1CCCC1 62a_100000740388_200011215008 [0,1,0,1,0,0|1,0,0]=3 20568 B14R1.177 CCCOC(=O)CSCC1CCCC1 62a_200011215008_100000740388 [0,1,0,1,0,0|1,0,0]=3 20569 B14R1.177 CCCOC(=O)CSCC1CCCO1 62a_100000203698_200011215008 [0,1,0,1,0,0|2,0,0]=4 20570 B14R1.177 CCCOC(=O)CSCC1CCCO1 62a_200011215008_100000203698 [0,1,0,1,0,0|2,0,0]=4 20571 B14R1.177 CCCOC(=O)CSCC1CCOC1 62a_100000702531_200011215008 [0,1,0,1,0,0|2,0,0]=4 20572 B14R1.177 CCCOC(=O)CSCC1CCOC1 62a_200011215008_100000702531 [0,1,0,1,0,0|2,0,0]=4 20573 B14R1.177 CCCOC(=O)OCNC1CCCC1 34a_100000211070_200000139673 [0,1,0,1,0,0|2,0,0]=4 20574 B14R1.177 CCCOC(=O)OCOC1CCCC1 34a_100000210269_200000139673 [0,1,0,1,0,0|2,0,0]=4 20575 B14R1.177 CCCOC(=O)OCOC1CCCC1 7a_100000210269_200000139673 [0,1,0,1,0,0|2,0,0]=4 20576 B14R1.177 CCCOC(=O)OCSC1CCCC1 62a_100011217020_200000139673 [0,1,0,1,0,0|2,0,0]=4 20577 B14R1.177 CCNNC(=O)CCCN1CCCC1 22a_100000756455_100000743284 [0,1,0,1,0,0|2,0,0]=4 20578 B14R1.177 CCNNC(=O)NCCC1CCCC1 273464a_100000739158_100000756455 [0,1,0,1,0,0|2,0,0]=4 20579 B14R1.177 CCNNC(=O)NCCC1CCCC1 512a_100000739158_100000756455 [0,1,0,1,0,0|2,0,0]=4 20580 B14R1.177 CCNNC(=O)NCCC1CCCC1 512a_100000756455_100000739158 [0,1,0,1,0,0|2,0,0]=4 20581 B14R1.177 CCOCC(=O)CCCC1CCCC1 1458a_100000211967_100011713738 [0,1,0,1,0,0|0,0,0]=2 20582 B14R1.177 CCOCC(=O)CCCC1OCCO1 1458a_100000211967_100000042513 [0,1,0,1,0,0|2,0,0]=4 20583 B14R1.177 CCOCC(=O)CCCN1CCCC1 1458a_100000211967_100011445909 [0,1,0,1,0,0|1,0,0]=3 20584 B14R1.177 CCOCC(=O)NCCC1CCCC1 11a_100000739158_100000211967 [0,1,0,1,0,0|1,0,0]=3 20585 B14R1.177 CCOCC(=O)NCCC1CCCC1 1626a_100000739158_100000211967 [0,1,0,1,0,0|1,0,0]=3 20586 B14R1.177 CCOCC(=O)NCCC1CCCC1 240690a_100000739158_100000211967 [0,1,0,1,0,0|1,0,0]=3 20587 B14R1.177 CCOCC(=O)NCCC1CCCC1 527a_100000739158_100000211967 [0,1,0,1,0,0|1,0,0]=3 20588 B14R1.177 CCOCC(=O)NCCN1CCCC1 240690a_100000212299_100000211967 [0,1,0,1,0,0|2,0,0]=4 20589 B14R1.177 CCOCN(C)CCCC1CCCC1 269982a_100015186261_100000739092 [0,1,0,1,0,0|2,0,0]=4 20590 B14R1.177 CCSCC(=O)CCCC1CCCC1 1458a_100000230394_100011713738 [0,1,0,1,0,0|0,1,0]=3 20591 B14R1.177 CCSCC(=O)CCCN1CCCC1 1458a_100000230394_100011445909 [0,1,0,1,0,0|1,1,0]=4 20592 B14R1.177 CCSCC(=O)NCCC1CCCC1 11a_100000739158_100000230394 [0,1,0,1,0,0|1,1,0]=4 20593 B14R1.177 CCSCC(=O)NCCC1CCCC1 1626a_100000739158_100000230394 [0,1,0,1,0,0|1,1,0]=4 20594 B14R1.177 CCSCC(=O)NCCC1CCCC1 240690a_100000739158_100000230394 [0,1,0,1,0,0|1,1,0]=4 20595 B14R1.177 CCSCC(=O)NCCC1CCCC1 527a_100000739158_100000230394 [0,1,0,1,0,0|1,1,0]=4 20596 B14R1.177 COC=CC(=O)CCCC1CCCC1 1458a_100016268678_100011713738 [0,1,0,1,0,0|1,0,1]=4 20597 B14R1.177 COCCC(=O)CCCC1CCCC1 1458a_100000749529_100011713738 [0,1,0,1,0,0|1,0,0]=3 20598 B14R1.177 COCCC(=O)CCCN1CCCC1 1458a_100000743284_100000233755 [0,1,0,1,0,0|2,0,0]=4 20599 B14R1.177 COCCC(=O)CCCN1CCCC1 1458a_100000749529_100011445909 [0,1,0,1,0,0|2,0,0]=4 20600 B14R1.177 COCCC(=O)NCCC1CCCC1 11a_100000739158_100000749529 [0,1,0,1,0,0|2,0,0]=4 20601 B14R1.177 COCCC(=O)NCCC1CCCC1 1626a_100000739158_100000749529 [0,1,0,1,0,0|2,0,0]=4 20602 B14R1.177 COCCC(=O)NCCC1CCCC1 240690a_100000739158_100000749529 [0,1,0,1,0,0|2,0,0]=4 20603 B14R1.177 COCCC(=O)NCCC1CCCC1 527a_100000739158_100000749529 [0,1,0,1,0,0|2,0,0]=4 20604 B14R1.177 CSCCC(=O)CCCC1CCCC1 1458a_100000174002_100011713738 [0,1,0,1,0,0|1,0,0]=3 20605 B14R1.177 CSCCC(=O)CCCN1CCCC1 1458a_100000174002_100011445909 [0,1,0,1,0,0|2,0,0]=4 20606 B14R1.177 CSCCC(=O)CCCN1CCCC1 1458a_100000743284_100000751147 [0,1,0,1,0,0|2,0,0]=4 20607 B14R1.177 CSCCC(=O)NCCC1CCCC1 11a_100000739158_100000174002 [0,1,0,1,0,0|2,0,0]=4 20608 B14R1.177 CSCCC(=O)NCCC1CCCC1 1626a_100000739158_100000174002 [0,1,0,1,0,0|2,0,0]=4 20609 B14R1.177 CSCCC(=O)NCCC1CCCC1 240690a_100000739158_100000174002 [0,1,0,1,0,0|2,0,0]=4 20610 B14R1.177 CSCCC(=O)NCCC1CCCC1 527a_100000739158_100000174002 [0,1,0,1,0,0|2,0,0]=4 20611 B14R1.177 N#CCCC(=O)CCCC1CCCC1 1458a_100011934036_100011713738 [0,1,0,1,0,0|1,0,1]=4 20612 B14R1.177 O=C(C#CCO)CCCC1CCCC1 1458a_100000049017_100011713738 [0,1,0,1,0,0|1,0,1]=4 20613 B14R1.177 O=C(CCCF)CCCN1CCCC1 1458a_100000743284_100011934791 [0,1,0,1,0,0|2,0,0]=4 20614 B14R1.177 O=C(CCCN1CCCC1)NCCF 240690a_100000724931_100000743284 [0,1,0,1,0,0|2,0,0]=4 20615 B14R1.177 O=C(CCCN1CCCC1)NCCO 240690a_100000210304_100000743284 [0,1,0,1,0,0|2,0,0]=4 20616 B14R1.177 O=C(CCCO)CCCN1CCCC1 1458a_100000743284_100011215043 [0,1,0,1,0,0|2,0,0]=4 20617 B14R1.177 O=C(CNCC1CCCC1)NCCF 2230a_100000725713_100000740388 [0,1,0,1,0,0|2,0,0]=4 20618 B14R1.177 O=C(NCCF)NCCC1CCCC1 2708a_100000739158_100000724931 [0,1,0,1,0,0|2,0,0]=4 20619 B14R1.177 O=C(NCCF)NCCC1CCCC1 273464a_100000724931_100000739158 [0,1,0,1,0,0|2,0,0]=4 20620 B14R1.177 O=C(NCCF)NCCC1CCCC1 273464a_100000739158_100000724931 [0,1,0,1,0,0|2,0,0]=4 20621 B14R1.177 O=C(NCCF)NCCC1CCCC1 512a_100000739158_100000724931 [0,1,0,1,0,0|2,0,0]=4 20622 B14R1.177 O=C(NCCO)NCCC1CCCC1 2708a_100000739158_100000210304 [0,1,0,1,0,0|2,0,0]=4 20623 B14R1.177 O=C(NCCO)NCCC1CCCC1 273464a_100000210304_100000739158 [0,1,0,1,0,0|2,0,0]=4 20624 B14R1.177 O=C(NCCO)NCCC1CCCC1 273464a_100000739158_100000210304 [0,1,0,1,0,0|2,0,0]=4 20625 B14R1.177 O=C(NCCO)NCCC1CCCC1 512a_100000739158_100000210304 [0,1,0,1,0,0|2,0,0]=4 20626 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000210581_100000687798 [0,1,0,1,0,0|2,0,0]=4 20627 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000747585_100000210314 [0,1,0,1,0,0|2,0,0]=4 20628 B14R1.882 CCCCCCNC1CCCNC1=O 34a_100000747585_100000210314 [0,1,0,1,0,0|2,0,0]=4 20629 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [0,1,0,1,0,0|2,0,0]=4 20630 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [0,1,0,1,0,0|2,0,0]=4 20631 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [0,1,0,1,0,0|2,0,0]=4 20632 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000073722_100000210314 [0,1,0,1,0,0|2,0,0]=4 20633 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000210259_100000687798 [0,1,0,1,0,0|2,0,0]=4 20634 B14R1.882 CCCCCCOC1CCCNC1=O 7a_100000210259_100000687798 [0,1,0,1,0,0|2,0,0]=4 20635 B14R1.882 CCCCCCOC1COCCC1=O 34a_100000210259_100012180262 [0,1,0,1,0,0|2,0,0]=4 20636 B14R1.882 CCCCCCOC1COCCC1=O 7a_100000210259_100012180262 [0,1,0,1,0,0|2,0,0]=4 20637 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [0,1,0,1,0,0|2,0,0]=4 20638 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [0,1,0,1,0,0|2,0,0]=4 20639 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000210314_100000687798 [0,1,0,1,0,0|2,0,0]=4 20640 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000687798_100000210757 [0,1,0,1,0,0|2,0,0]=4 20641 B14R1.882 CCCCCCSC1COCCC1=O 62a_100000210314_100012180262 [0,1,0,1,0,0|2,0,0]=4 20642 B14R1.882 CCCCCCSC1COCCC1=O 62a_100012180262_100000210757 [0,1,0,1,0,0|2,0,0]=4 20643 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [0,1,0,1,0,0|2,0,0]=4 20644 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [0,1,0,1,0,0|2,0,0]=4 20645 B14R1.882 CCCCOCCC1NCCNC1=O 34a_100000044719_100000210210 [0,1,0,1,0,0|2,0,0]=4 20646 B14R1.915 C=C(CN1CCCC1CC)OCOC 269982a_100000754278_100000042856 [0,1,0,1,0,0|2,0,0]=4 20647 B14R1.915 C=C(CN1CCCC1CC)OCOC 34a_100000754278_100000042856 [0,1,0,1,0,0|2,0,0]=4 20648 B14R1.915 C=CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000033060 [0,1,0,1,0,0|1,0,1]=4 20649 B14R1.915 C=CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000033060 [0,1,0,1,0,0|1,0,1]=4 20650 B14R1.915 C=CCOC(=O)CN1CCCC1CC 34a_100000754278_100000033060 [0,1,0,1,0,0|1,0,1]=4 20651 B14R1.915 CCCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183358 [0,1,0,1,0,0|2,0,0]=4 20652 B14R1.915 CCCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183358 [0,1,0,1,0,0|2,0,0]=4 20653 B14R1.915 CCCNC(=O)CN1CCCC1CC 34a_100000754278_100000183358 [0,1,0,1,0,0|2,0,0]=4 20654 B14R1.915 CCCOC(=O)CN1CCCC1CC 2230a_100000754278_200011215008 [0,1,0,1,0,0|1,0,0]=3 20655 B14R1.915 CCCOC(=O)CN1CCCC1CC 269982a_100000754278_200011215008 [0,1,0,1,0,0|1,0,0]=3 20656 B14R1.915 CCCOC(=O)CN1CCCC1CC 34a_100000754278_200011215008 [0,1,0,1,0,0|1,0,0]=3 20657 B14R1.915 CCCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_200011215008 [0,1,0,1,0,0|2,0,0]=4 20658 B14R1.915 CCCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_200011215008 [0,1,0,1,0,0|2,0,0]=4 20659 B14R1.915 CCCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_200011215008 [0,1,0,1,0,0|2,0,0]=4 20660 B14R1.916 C=C(COC1CCCC1C)OCOC 34a_100011216460_100000042856 [0,1,0,1,0,0|2,0,0]=4 20661 B14R1.916 C=CCOC(=O)COC1CCCC1C 34a_100011216460_100000033060 [0,1,0,1,0,0|1,0,1]=4 20662 B14R1.916 C=CCOC(=O)COC1CCCC1C 7a_100011216460_100000033060 [0,1,0,1,0,0|1,0,1]=4 20663 B14R1.916 CCC#CC(=O)CCC1CCCN1C 1458a_100011827653_100000005710 [0,1,0,1,0,0|2,0,0]=4 20664 B14R1.916 CCC=CC(=O)CCC1CCCN1C 1458a_100000212282_100000005710 [0,1,0,1,0,0|2,0,0]=4 20665 B14R1.916 CCCCC(=O)CCC1CCCN1C 1458a_100000210183_100000005710 [0,1,0,1,0,0|2,0,0]=4 20666 B14R1.916 CCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210211 [0,1,0,1,0,0|0,0,1]=3 20667 B14R1.916 CCCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210211 [0,1,0,1,0,0|1,0,1]=4 20668 B14R1.916 CCCCC(C)COC1CCCC1=O 34a_100011995851_100000709159 [0,1,0,1,0,0|2,0,0]=4 20669 B14R1.916 CCCCC(C)COC1CCCC1=O 7a_100011995851_100000211823 [0,1,0,1,0,0|2,0,0]=4 20670 B14R1.916 CCCCC(C)COC1CCOC1=O 34a_100011995851_100000211211 [0,1,0,1,0,0|1,0,0]=3 20671 B14R1.916 CCCCC(C)COC1CCOC1=O 7a_100011995851_100000211211 [0,1,0,1,0,0|1,0,0]=3 20672 B14R1.916 CCCCC(C)OCC1CCNC1=O 34a_100000133458_200011215066 [0,1,0,1,0,0|2,0,0]=4 20673 B14R1.916 CCCC[C@H](N)COC1CCCC1=O 34a_100011934283_100000709159 [0,1,0,1,0,0|2,0,0]=4 20674 B14R1.916 CCCC[C@H](N)COC1CCOC1=O 34a_100011934283_100000211211 [0,1,0,1,0,0|1,0,0]=3 20675 B14R1.916 CCCNC(=O)CCC1CCOC1=O 11a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 20676 B14R1.916 CCCNC(=O)CCC1CCOC1=O 1626a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 20677 B14R1.916 CCCNC(=O)CCC1CCOC1=O 240690a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 20678 B14R1.916 CCCNC(=O)CCC1CCOC1=O 527a_100020643023_100000117037 [0,1,0,1,0,0|1,0,1]=4 20679 B14R1.916 CCCNC(=O)CNC1CCCC1C 269862a_100000174927_100000752053 [0,1,0,1,0,0|2,0,0]=4 20680 B14R1.916 CCCNC(=O)COC1CCCC1C 34a_100011216460_100000183358 [0,1,0,1,0,0|2,0,0]=4 20681 B14R1.916 CCCNC(=O)COC1CCCC1C 7a_100011216460_100000183358 [0,1,0,1,0,0|2,0,0]=4 20682 B14R1.916 CCCOC(=O)COC1CCCC1C 34a_100011216460_200011215008 [0,1,0,1,0,0|1,0,0]=3 20683 B14R1.916 CCCOC(=O)COC1CCCC1C 7a_100011216460_200011215008 [0,1,0,1,0,0|1,0,0]=3 20684 B14R1.916 CCCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200011215008 [0,1,0,1,0,0|2,0,0]=4 20685 B14R1.916 CCCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_200011215008 [0,1,0,1,0,0|2,0,0]=4 20686 B14R1.916 CCCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_200011215008 [0,1,0,1,0,0|2,0,0]=4 20687 B14R1.916 CCCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200011215008_200016002552 [0,1,0,1,0,0|2,0,0]=4 20688 B14R1.916 CCCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_200011215008 [0,1,0,1,0,0|2,0,0]=4 20689 B14R1.916 CCCOC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_200000139673 [0,1,0,1,0,0|2,0,0]=4 20690 B14R1.916 CCCOC(=O)OCN1CCC[C@H]1C 269982a_100015189458_200000139673 [0,1,0,1,0,0|2,0,0]=4 20691 B14R1.916 CCCOC(=O)OCN1CCC[C@H]1C 34a_100015189458_200000139673 [0,1,0,1,0,0|2,0,0]=4 20692 B14R1.916 CCCOC(C)CNC1CCOC1=O 2230a_100015185124_100000211211 [0,1,0,1,0,0|2,0,0]=4 20693 B14R1.916 CCCOC(C)CNC1CCOC1=O 34a_100015185124_100000211211 [0,1,0,1,0,0|2,0,0]=4 20694 B14R1.916 CCOCC(=O)CCC1CCCN1C 1458a_100000211967_100000005710 [0,1,0,1,0,0|1,0,0]=3 20695 B14R1.916 CCOCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000211967 [0,1,0,1,0,0|2,0,0]=4 20696 B14R1.916 CCOCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000211967 [0,1,0,1,0,0|2,0,0]=4 20697 B14R1.916 CCOCC(O)CNC1CCOC1=O 2230a_102515437182_100000211211 [0,1,0,1,0,0|2,0,0]=4 20698 B14R1.916 CCOCC(O)CNC1CCOC1=O 34a_102515437182_100000211211 [0,1,0,1,0,0|2,0,0]=4 20699 B14R1.916 CCSCC(=O)CCC1CCCN1C 1458a_100000230394_100000005710 [0,1,0,1,0,0|1,1,0]=4 20700 B14R1.916 COCCC(=O)CCC1CCCN1C 1458a_100000749529_100000005710 [0,1,0,1,0,0|2,0,0]=4 20701 B14R1.916 COCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000233755 [0,1,0,1,0,0|1,0,1]=4 20702 B14R1.916 CSCCC(=O)CCC1CCCN1C 1458a_100000174002_100000005710 [0,1,0,1,0,0|2,0,0]=4 20703 B14R1.916 CSCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000751147 [0,1,0,1,0,0|1,0,1]=4 20704 B14R1.916 CSCC[C@H](N)COC1CCOC1=O 34a_100011827619_100000211211 [0,1,0,1,0,0|2,0,0]=4 20705 B14R1.916 C[C@H](CCCO)CNC1CCOC1=O 2230a_100160569302_100000211211 [0,1,0,1,0,0|2,0,0]=4 20706 B14R1.916 C[C@H](CCCO)CNC1CCOC1=O 34a_100160569302_100000211211 [0,1,0,1,0,0|2,0,0]=4 20707 B14R1.916 O=C(CCCF)CCC1CCOC1=O 1458a_100000117037_100011934791 [0,1,0,1,0,0|1,0,1]=4 20708 B14R1.916 O=C(CCCO)CCC1CCOC1=O 1458a_100000117037_100011215043 [0,1,0,1,0,0|1,0,1]=4 20709 B14R1.919 CCCOC(=O)OCOCC1CC1C 34a_100000744939_200000139673 [0,1,0,1,0,0|2,0,0]=4 20710 B14R1.919 CCCOC(=O)OCOCC1CC1C 7a_100000744939_200000139673 [0,1,0,1,0,0|2,0,0]=4 20711 B14R1.920 CCCNC(=O)CCCNC1CCC1 2230a_100000749019_100011194427 [0,1,0,1,0,0|2,0,0]=4 20712 B14R1.920 CCCNC(=O)CCCSC1CCC1 62a_100011194427_100000749161 [0,1,0,1,0,0|2,0,0]=4 20713 B14R1.920 CCCOC(=O)COCCC1COC1 34a_100009855314_200011215008 [0,1,0,1,0,0|2,0,0]=4 20714 B14R1.920 CCCOC(=O)OCNCC1CCC1 34a_100000738700_200000139673 [0,1,0,1,0,0|2,0,0]=4 20715 B14R1.920 CCCOC(=O)OCOCC1CCC1 34a_100000760304_200000139673 [0,1,0,1,0,0|2,0,0]=4 20716 B14R1.920 CCCOC(=O)OCSCC1CCC1 62a_100000763275_200000139673 [0,1,0,1,0,0|2,0,0]=4 20717 B14R1.927 CCCNC(=O)CCCNCC1CC1 2230a_100000735609_100011194427 [0,1,0,1,0,0|2,0,0]=4 20718 B14R1.927 CCCNC(=O)CCCSCC1CC1 62a_100000756562_100011194427 [0,1,0,1,0,0|2,0,0]=4 20719 B14R1.927 CCCNC(=O)CCCSCC1CC1 62a_100011194427_100000742324 [0,1,0,1,0,0|2,0,0]=4 20720 B14R1.927 CCCOC(=O)COCCNC1CC1 34a_100000738766_200011215008 [0,1,0,1,0,0|2,0,0]=4 20721 B14R1.927 CCCOC(=O)CSCCCC1CO1 62a_100000733510_200011215008 [0,1,0,1,0,0|2,0,0]=4 20722 B14R1.927 CCCOC(=O)CSCCCC1CO1 62a_200011215008_100000733510 [0,1,0,1,0,0|2,0,0]=4 20723 B14R1.927 CCCOC(=O)OCNCCC1CC1 34a_100000764129_200000139673 [0,1,0,1,0,0|2,0,0]=4 20724 B14R1.927 CCCOC(=O)OCOCCC1CC1 34a_100000754188_200000139673 [0,1,0,1,0,0|2,0,0]=4 20725 B14R1.927 CCCOC(=O)OCOCCC1CC1 7a_100000754188_200000139673 [0,1,0,1,0,0|2,0,0]=4 20726 B14R1.927 CCCOC(=O)OCSCCC1CC1 62a_100000764125_200000139673 [0,1,0,1,0,0|2,0,0]=4 20727 B14R1.935 CCCNC(=O)CCCN1CCC1C 269982a_100000755817_100011194427 [0,1,0,1,0,0|2,0,0]=4 20728 B14R1.938 CCCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210211 [0,1,0,1,0,0|2,0,0]=4 20729 B14R1.938 CCCNC(=O)C1CCCCCN1C 240690a_100020643023_100015187800 [0,1,0,1,0,0|2,0,0]=4 20730 B14R1.938 CCCNC(=O)C1CCCCCN1C 527a_100020643023_100015187800 [0,1,0,1,0,0|2,0,0]=4 20731 B14R1.938 CCNNC(=O)C1CCCCCN1C 22a_100000756455_100015187800 [0,1,0,1,0,0|2,0,0]=4 20732 B14R1.938 CCOCC(=O)C1CCCCCC1=O 1458a_100000211967_100000243696 [0,1,0,1,0,0|1,0,1]=4 20733 B14R1.938 CN1CCCCCC1C(=O)CCCF 1458a_100015187800_100011934791 [0,1,0,1,0,0|2,0,0]=4 20734 B14R1.938 CN1CCCCCC1C(=O)CCCO 1458a_100015187800_100011215043 [0,1,0,1,0,0|2,0,0]=4 20735 B14R1.938 CN1CCCCCC1C(=O)NCCF 240690a_100000724931_100015187800 [0,1,0,1,0,0|2,0,0]=4 20736 B14R1.938 CN1CCCCCC1C(=O)NCCF 527a_100000724931_100015187800 [0,1,0,1,0,0|2,0,0]=4 20737 B14R1.938 CN1CCCCCC1C(=O)NCCO 240690a_100000210304_100015187800 [0,1,0,1,0,0|2,0,0]=4 20738 B14R1.938 CN1CCCCCC1C(=O)NCCO 527a_100000210304_100015187800 [0,1,0,1,0,0|2,0,0]=4 20739 B14R1.938 COCCC(=O)C1CCCCCN1C 1458a_100015187800_100000233755 [0,1,0,1,0,0|2,0,0]=4 20740 B14R1.938 CSCCC(=O)C1CCCCCN1C 1458a_100015187800_100000751147 [0,1,0,1,0,0|2,0,0]=4 20741 B14R1.939 CCC1CCCCN1C(=O)CCOC 11a_100000210034_100000749529 [0,1,0,1,0,0|2,0,0]=4 20742 B14R1.939 CCC1CCCCN1C(=O)CCOC 1626a_100000210034_100000749529 [0,1,0,1,0,0|2,0,0]=4 20743 B14R1.939 CCC1CCCCN1C(=O)CCOC 240690a_100000210034_100000749529 [0,1,0,1,0,0|2,0,0]=4 20744 B14R1.939 CCC1CCCCN1C(=O)CCOC 527a_100000210034_100000749529 [0,1,0,1,0,0|2,0,0]=4 20745 B14R1.939 CCC1CCCCN1C(=O)CCSC 11a_100000210034_100000174002 [0,1,0,1,0,0|2,0,0]=4 20746 B14R1.939 CCC1CCCCN1C(=O)CCSC 1626a_100000210034_100000174002 [0,1,0,1,0,0|2,0,0]=4 20747 B14R1.939 CCC1CCCCN1C(=O)CCSC 240690a_100000210034_100000174002 [0,1,0,1,0,0|2,0,0]=4 20748 B14R1.939 CCC1CCCCN1C(=O)CCSC 527a_100000210034_100000174002 [0,1,0,1,0,0|2,0,0]=4 20749 B14R1.939 CCC1CCCCN1C(=O)NCCF 273464a_100000724931_100000210034 [0,1,0,1,0,0|2,0,0]=4 20750 B14R1.939 CCC1CCCCN1C(=O)NCCO 273464a_100000210304_100000210034 [0,1,0,1,0,0|2,0,0]=4 20751 B14R1.939 CCC=CC(=O)N1CCCCC1CC 11a_100000210034_100000212282 [0,1,0,1,0,0|2,0,0]=4 20752 B14R1.939 CCC=CC(=O)N1CCCCC1CC 1626a_100000210034_100000212282 [0,1,0,1,0,0|2,0,0]=4 20753 B14R1.939 CCC=CC(=O)N1CCCCC1CC 240690a_100000210034_100000212282 [0,1,0,1,0,0|2,0,0]=4 20754 B14R1.939 CCCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210211 [0,1,0,1,0,0|2,0,0]=4 20755 B14R1.939 CCCCC(=O)N1CCCCC1CC 11a_100000210034_100000210183 [0,1,0,1,0,0|2,0,0]=4 20756 B14R1.939 CCCCC(=O)N1CCCCC1CC 1626a_100000210034_100000210183 [0,1,0,1,0,0|2,0,0]=4 20757 B14R1.939 CCCCC(=O)N1CCCCC1CC 240690a_100000210034_100000210183 [0,1,0,1,0,0|2,0,0]=4 20758 B14R1.939 CCCCC(=O)N1CCCCC1CC 527a_100000210034_100000210183 [0,1,0,1,0,0|2,0,0]=4 20759 B14R1.939 CCCNC(=O)C1CCCCN1CC 11a_100020643023_100000743832 [0,1,0,1,0,0|2,0,0]=4 20760 B14R1.939 CCCNC(=O)C1CCCCN1CC 240690a_100020643023_100000743832 [0,1,0,1,0,0|2,0,0]=4 20761 B14R1.939 CCCNC(=O)C1CCCCN1CC 527a_100020643023_100000743832 [0,1,0,1,0,0|2,0,0]=4 20762 B14R1.939 CCCNC(=O)N1CCCCC1CC 2708a_100020643023_100000210034 [0,1,0,1,0,0|2,0,0]=4 20763 B14R1.939 CCCNC(=O)N1CCCCC1CC 273464a_100020643023_100000210034 [0,1,0,1,0,0|2,0,0]=4 20764 B14R1.939 CCN1CCCCC1C(=O)CCCF 1458a_100000743832_100011934791 [0,1,0,1,0,0|2,0,0]=4 20765 B14R1.939 CCN1CCCCC1C(=O)CCCO 1458a_100000743832_100011215043 [0,1,0,1,0,0|2,0,0]=4 20766 B14R1.939 CCN1CCCCC1C(=O)CCOC 1458a_100000743832_100000233755 [0,1,0,1,0,0|2,0,0]=4 20767 B14R1.939 CCN1CCCCC1C(=O)CCSC 1458a_100000743832_100000751147 [0,1,0,1,0,0|2,0,0]=4 20768 B14R1.939 CCN1CCCCC1C(=O)NCCF 11a_100000724931_100000743832 [0,1,0,1,0,0|2,0,0]=4 20769 B14R1.939 CCN1CCCCC1C(=O)NCCF 240690a_100000724931_100000743832 [0,1,0,1,0,0|2,0,0]=4 20770 B14R1.939 CCN1CCCCC1C(=O)NCCF 527a_100000724931_100000743832 [0,1,0,1,0,0|2,0,0]=4 20771 B14R1.939 CCN1CCCCC1C(=O)NCCO 240690a_100000210304_100000743832 [0,1,0,1,0,0|2,0,0]=4 20772 B14R1.939 CCN1CCCCC1C(=O)NCCO 527a_100000210304_100000743832 [0,1,0,1,0,0|2,0,0]=4 20773 B14R1.939 CCNCC(=O)N1CCCCC1CC 2230a_100015525214_100000183412 [0,1,0,1,0,0|2,0,0]=4 20774 B14R1.939 CCNNC(=O)C1CCCCN1CC 22a_100000756455_100000743832 [0,1,0,1,0,0|2,0,0]=4 20775 B14R1.939 CCOCC(=O)N1CCCCC1CC 11a_100000210034_100000211967 [0,1,0,1,0,0|1,0,0]=3 20776 B14R1.939 CCOCC(=O)N1CCCCC1CC 1626a_100000210034_100000211967 [0,1,0,1,0,0|1,0,0]=3 20777 B14R1.939 CCOCC(=O)N1CCCCC1CC 240690a_100000210034_100000211967 [0,1,0,1,0,0|1,0,0]=3 20778 B14R1.939 CCOCC(=O)N1CCCCC1CC 34a_100121572206_100000183412 [0,1,0,1,0,0|1,0,0]=3 20779 B14R1.939 CCOCC(=O)N1CCCCC1CC 527a_100000210034_100000211967 [0,1,0,1,0,0|1,0,0]=3 20780 B14R1.939 CCOCC(=O)N1CCCCC1CO 240690a_100000210821_100000211967 [0,1,0,1,0,0|2,0,0]=4 20781 B14R1.939 CCOCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000211967 [0,1,0,1,0,0|2,0,0]=4 20782 B14R1.939 CCOCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000211967 [0,1,0,1,0,0|2,0,0]=4 20783 B14R1.939 CCOCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000211967 [0,1,0,1,0,0|2,0,0]=4 20784 B14R1.939 CCOCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000211967 [0,1,0,1,0,0|2,0,0]=4 20785 B14R1.939 CCSCC(=O)N1CCCCC1CC 11a_100000210034_100000230394 [0,1,0,1,0,0|1,1,0]=4 20786 B14R1.939 CCSCC(=O)N1CCCCC1CC 1626a_100000210034_100000230394 [0,1,0,1,0,0|1,1,0]=4 20787 B14R1.939 CCSCC(=O)N1CCCCC1CC 240690a_100000210034_100000230394 [0,1,0,1,0,0|1,1,0]=4 20788 B14R1.939 CCSCC(=O)N1CCCCC1CC 527a_100000210034_100000230394 [0,1,0,1,0,0|1,1,0]=4 20789 B14R1.939 CCSCC(=O)N1CCCCC1CC 62a_100000183412_100000210202 [0,1,0,1,0,0|1,1,0]=4 20790 B14R1.939 CCSCC(=O)N1CCCCC1CC 62a_100000210202_100000183412 [0,1,0,1,0,0|1,1,0]=4 20791 B14R1.943 CCOCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000211967 [0,1,0,1,0,0|2,0,0]=4 20792 B14R1.943 CCOCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000211967 [0,1,0,1,0,0|2,0,0]=4 20793 B14R1.943 CCOCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000211967 [0,1,0,1,0,0|2,0,0]=4 20794 B14R1.946 C=C(CN1CCCCC1C)OCOC 269982a_100000211376_100000042856 [0,1,0,1,0,0|2,0,0]=4 20795 B14R1.946 C=C(CN1CCCCC1C)OCOC 34a_100000211376_100000042856 [0,1,0,1,0,0|2,0,0]=4 20796 B14R1.946 C=CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000033060 [0,1,0,1,0,0|1,0,1]=4 20797 B14R1.946 C=CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000033060 [0,1,0,1,0,0|1,0,1]=4 20798 B14R1.946 C=CCOC(=O)CN1CCCCC1C 34a_100000211376_100000033060 [0,1,0,1,0,0|1,0,1]=4 20799 B14R1.946 CC1CCCCC1NC(=O)NCCF 2708a_100000211402_100000724931 [0,1,0,1,0,0|2,0,0]=4 20800 B14R1.946 CC1CCCCC1NC(=O)NCCF 273464a_100000211402_100000724931 [0,1,0,1,0,0|2,0,0]=4 20801 B14R1.946 CC1CCCCC1NC(=O)NCCF 273464a_100000724931_100000211402 [0,1,0,1,0,0|2,0,0]=4 20802 B14R1.946 CC1CCCCC1NC(=O)NCCF 512a_100000211402_100000724931 [0,1,0,1,0,0|2,0,0]=4 20803 B14R1.946 CC1CCCCC1NC(=O)NCCO 2708a_100000211402_100000210304 [0,1,0,1,0,0|2,0,0]=4 20804 B14R1.946 CC1CCCCC1NC(=O)NCCO 273464a_100000210304_100000211402 [0,1,0,1,0,0|2,0,0]=4 20805 B14R1.946 CC1CCCCC1NC(=O)NCCO 273464a_100000211402_100000210304 [0,1,0,1,0,0|2,0,0]=4 20806 B14R1.946 CC1CCCCC1NC(=O)NCCO 512a_100000211402_100000210304 [0,1,0,1,0,0|2,0,0]=4 20807 B14R1.946 CCC#CC(=O)CC1CCCCN1C 1458a_100011827653_100015185383 [0,1,0,1,0,0|2,0,0]=4 20808 B14R1.946 CCC=CC(=O)CC1CCCCN1C 1458a_100000212282_100015185383 [0,1,0,1,0,0|2,0,0]=4 20809 B14R1.946 CCC=CC(=O)NC1CCCCC1C 11a_100000211402_100000212282 [0,1,0,1,0,0|2,0,0]=4 20810 B14R1.946 CCC=CC(=O)NC1CCCCC1C 1626a_100000211402_100000212282 [0,1,0,1,0,0|2,0,0]=4 20811 B14R1.946 CCC=CC(=O)NC1CCCCC1C 240690a_100000211402_100000212282 [0,1,0,1,0,0|2,0,0]=4 20812 B14R1.946 CCCCC(=O)CC1CCCCN1C 1458a_100000210183_100015185383 [0,1,0,1,0,0|2,0,0]=4 20813 B14R1.946 CCCCC(=O)NC1CCCCC1C 11a_100000211402_100000210183 [0,1,0,1,0,0|2,0,0]=4 20814 B14R1.946 CCCCC(=O)NC1CCCCC1C 1626a_100000211402_100000210183 [0,1,0,1,0,0|2,0,0]=4 20815 B14R1.946 CCCCC(=O)NC1CCCCC1C 240690a_100000211402_100000210183 [0,1,0,1,0,0|2,0,0]=4 20816 B14R1.946 CCCCC(=O)NC1CCCCC1C 527a_100000211402_100000210183 [0,1,0,1,0,0|2,0,0]=4 20817 B14R1.946 CCCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183358 [0,1,0,1,0,0|2,0,0]=4 20818 B14R1.946 CCCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183358 [0,1,0,1,0,0|2,0,0]=4 20819 B14R1.946 CCCNC(=O)CN1CCCCC1C 34a_100000211376_100000183358 [0,1,0,1,0,0|2,0,0]=4 20820 B14R1.946 CCCNC(=O)NC1CCCCC1C 2708a_100000211402_100020643023 [0,1,0,1,0,0|2,0,0]=4 20821 B14R1.946 CCCNC(=O)NC1CCCCC1C 2708a_100020643023_100000211402 [0,1,0,1,0,0|2,0,0]=4 20822 B14R1.946 CCCNC(=O)NC1CCCCC1C 273464a_100000211402_100020643023 [0,1,0,1,0,0|2,0,0]=4 20823 B14R1.946 CCCNC(=O)NC1CCCCC1C 273464a_100020643023_100000211402 [0,1,0,1,0,0|2,0,0]=4 20824 B14R1.946 CCCNC(=O)NC1CCCCC1C 512a_100000211402_100020643023 [0,1,0,1,0,0|2,0,0]=4 20825 B14R1.946 CCCNC(=O)NC1CCCCC1C 512a_100020643023_100000211402 [0,1,0,1,0,0|2,0,0]=4 20826 B14R1.946 CCCOC(=O)CN1CCCCC1C 2230a_100000211376_200011215008 [0,1,0,1,0,0|1,0,0]=3 20827 B14R1.946 CCCOC(=O)CN1CCCCC1C 269982a_100000211376_200011215008 [0,1,0,1,0,0|1,0,0]=3 20828 B14R1.946 CCCOC(=O)CN1CCCCC1C 34a_100000211376_200011215008 [0,1,0,1,0,0|1,0,0]=3 20829 B14R1.946 CCCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_200011215008 [0,1,0,1,0,0|2,0,0]=4 20830 B14R1.946 CCCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_200011215008 [0,1,0,1,0,0|2,0,0]=4 20831 B14R1.946 CCCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_200011215008 [0,1,0,1,0,0|2,0,0]=4 20832 B14R1.946 CCNCC(=O)NC1CCCCC1C 2230a_100015525214_100000182742 [0,1,0,1,0,0|2,0,0]=4 20833 B14R1.946 CCNNC(=O)NC1CCCCC1C 273464a_100000211402_100000756455 [0,1,0,1,0,0|2,0,0]=4 20834 B14R1.946 CCNNC(=O)NC1CCCCC1C 512a_100000211402_100000756455 [0,1,0,1,0,0|2,0,0]=4 20835 B14R1.946 CCNNC(=O)NC1CCCCC1C 512a_100000756455_100000211402 [0,1,0,1,0,0|2,0,0]=4 20836 B14R1.946 CCOCC(=O)CC1CCCCN1C 1458a_100000211967_100015185383 [0,1,0,1,0,0|1,0,0]=3 20837 B14R1.946 CCOCC(=O)NC1CCCCC1C 11a_100000211402_100000211967 [0,1,0,1,0,0|1,0,0]=3 20838 B14R1.946 CCOCC(=O)NC1CCCCC1C 1626a_100000211402_100000211967 [0,1,0,1,0,0|1,0,0]=3 20839 B14R1.946 CCOCC(=O)NC1CCCCC1C 240690a_100000211402_100000211967 [0,1,0,1,0,0|1,0,0]=3 20840 B14R1.946 CCOCC(=O)NC1CCCCC1C 34a_100121572206_100000182742 [0,1,0,1,0,0|1,0,0]=3 20841 B14R1.946 CCOCC(=O)NC1CCCCC1C 527a_100000211402_100000211967 [0,1,0,1,0,0|1,0,0]=3 20842 B14R1.946 CCOCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211967 [0,1,0,1,0,0|2,0,0]=4 20843 B14R1.946 CCOCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211967 [0,1,0,1,0,0|2,0,0]=4 20844 B14R1.946 CCOCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000211967 [0,1,0,1,0,0|2,0,0]=4 20845 B14R1.946 CCOCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000211967 [0,1,0,1,0,0|2,0,0]=4 20846 B14R1.946 CCOCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000211967 [0,1,0,1,0,0|2,0,0]=4 20847 B14R1.946 CCOCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000211967 [0,1,0,1,0,0|2,0,0]=4 20848 B14R1.946 CCSCC(=O)CC1CCCCN1C 1458a_100000230394_100015185383 [0,1,0,1,0,0|1,1,0]=4 20849 B14R1.946 CCSCC(=O)NC1CCCCC1C 11a_100000211402_100000230394 [0,1,0,1,0,0|1,1,0]=4 20850 B14R1.946 CCSCC(=O)NC1CCCCC1C 1626a_100000211402_100000230394 [0,1,0,1,0,0|1,1,0]=4 20851 B14R1.946 CCSCC(=O)NC1CCCCC1C 240690a_100000211402_100000230394 [0,1,0,1,0,0|1,1,0]=4 20852 B14R1.946 CCSCC(=O)NC1CCCCC1C 527a_100000211402_100000230394 [0,1,0,1,0,0|1,1,0]=4 20853 B14R1.946 CCSCC(=O)NC1CCCCC1C 62a_100000182742_100000210202 [0,1,0,1,0,0|1,1,0]=4 20854 B14R1.946 CCSCC(=O)NC1CCCCC1C 62a_100000210202_100000182742 [0,1,0,1,0,0|1,1,0]=4 20855 B14R1.946 COCCC(=O)CC1CCCCN1C 1458a_100000749529_100015185383 [0,1,0,1,0,0|2,0,0]=4 20856 B14R1.946 COCCC(=O)NC1CCCCC1C 11a_100000211402_100000749529 [0,1,0,1,0,0|2,0,0]=4 20857 B14R1.946 COCCC(=O)NC1CCCCC1C 1626a_100000211402_100000749529 [0,1,0,1,0,0|2,0,0]=4 20858 B14R1.946 COCCC(=O)NC1CCCCC1C 240690a_100000211402_100000749529 [0,1,0,1,0,0|2,0,0]=4 20859 B14R1.946 COCCC(=O)NC1CCCCC1C 527a_100000211402_100000749529 [0,1,0,1,0,0|2,0,0]=4 20860 B14R1.946 CSCCC(=O)CC1CCCCN1C 1458a_100000174002_100015185383 [0,1,0,1,0,0|2,0,0]=4 20861 B14R1.946 CSCCC(=O)NC1CCCCC1C 11a_100000211402_100000174002 [0,1,0,1,0,0|2,0,0]=4 20862 B14R1.946 CSCCC(=O)NC1CCCCC1C 1626a_100000211402_100000174002 [0,1,0,1,0,0|2,0,0]=4 20863 B14R1.946 CSCCC(=O)NC1CCCCC1C 240690a_100000211402_100000174002 [0,1,0,1,0,0|2,0,0]=4 20864 B14R1.946 CSCCC(=O)NC1CCCCC1C 527a_100000211402_100000174002 [0,1,0,1,0,0|2,0,0]=4 20865 B14R1.1237 CCCCCCOC1C(=O)COC1=O 34a_100000210259_100000032967 [0,1,0,1,0,0|1,0,1]=4 20866 B14R1.1237 CCCCCCSC1C(=O)COC1=O 62a_100000210314_100000032967 [0,1,0,1,0,0|1,0,1]=4 20867 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,1,0,1,0,0|2,0,0]=4 20868 B14R1.2402 CCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210326 [0,1,0,1,0,0|2,0,0]=4 20869 B14R1.2402 CCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210215 [0,1,0,1,0,0|2,0,0]=4 20870 B14R1.2402 CCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000718602 [0,1,0,1,0,0|2,0,0]=4 20871 B14R1.2470 CCC=CC(=O)N1CCCCCCC1 11a_100000211400_100000212282 [0,1,0,1,0,0|2,0,0]=4 20872 B14R1.2470 CCC=CC(=O)N1CCCCCCC1 1626a_100000211400_100000212282 [0,1,0,1,0,0|2,0,0]=4 20873 B14R1.2470 CCC=CC(=O)N1CCCCCCC1 240690a_100000211400_100000212282 [0,1,0,1,0,0|2,0,0]=4 20874 B14R1.2470 CCCCC(=O)N1CCCCCCC1 11a_100000211400_100000210183 [0,1,0,1,0,0|2,0,0]=4 20875 B14R1.2470 CCCCC(=O)N1CCCCCCC1 1626a_100000211400_100000210183 [0,1,0,1,0,0|2,0,0]=4 20876 B14R1.2470 CCCCC(=O)N1CCCCCCC1 240690a_100000211400_100000210183 [0,1,0,1,0,0|2,0,0]=4 20877 B14R1.2470 CCCCC(=O)N1CCCCCCC1 527a_100000211400_100000210183 [0,1,0,1,0,0|2,0,0]=4 20878 B14R1.2470 CCCNC(=O)N1CCCCCCC1 2708a_100020643023_100000211400 [0,1,0,1,0,0|2,0,0]=4 20879 B14R1.2470 CCCNC(=O)N1CCCCCCC1 273464a_100020643023_100000211400 [0,1,0,1,0,0|2,0,0]=4 20880 B14R1.2470 CCNCC(=O)N1CCCCCCC1 2230a_100015525214_100000230191 [0,1,0,1,0,0|2,0,0]=4 20881 B14R1.2470 CCOCC(=O)C1CC/C=C\CCC1 1458a_100000211967_100021000466 [0,1,0,1,0,0|0,0,2]=4 20882 B14R1.2470 CCOCC(=O)N1CCCCCCC1 11a_100000211400_100000211967 [0,1,0,1,0,0|1,0,0]=3 20883 B14R1.2470 CCOCC(=O)N1CCCCCCC1 1626a_100000211400_100000211967 [0,1,0,1,0,0|1,0,0]=3 20884 B14R1.2470 CCOCC(=O)N1CCCCCCC1 240690a_100000211400_100000211967 [0,1,0,1,0,0|1,0,0]=3 20885 B14R1.2470 CCOCC(=O)N1CCCCCCC1 34a_100121572206_100000230191 [0,1,0,1,0,0|1,0,0]=3 20886 B14R1.2470 CCOCC(=O)N1CCCCCCC1 527a_100000211400_100000211967 [0,1,0,1,0,0|1,0,0]=3 20887 B14R1.2470 CCSCC(=O)N1CCCCCCC1 11a_100000211400_100000230394 [0,1,0,1,0,0|1,1,0]=4 20888 B14R1.2470 CCSCC(=O)N1CCCCCCC1 1626a_100000211400_100000230394 [0,1,0,1,0,0|1,1,0]=4 20889 B14R1.2470 CCSCC(=O)N1CCCCCCC1 240690a_100000211400_100000230394 [0,1,0,1,0,0|1,1,0]=4 20890 B14R1.2470 CCSCC(=O)N1CCCCCCC1 527a_100000211400_100000230394 [0,1,0,1,0,0|1,1,0]=4 20891 B14R1.2470 CCSCC(=O)N1CCCCCCC1 62a_100000210202_100000230191 [0,1,0,1,0,0|1,1,0]=4 20892 B14R1.2470 CCSCC(=O)N1CCCCCCC1 62a_100000230191_100000210202 [0,1,0,1,0,0|1,1,0]=4 20893 B14R1.2470 COCCC(=O)N1CCCCCCC1 11a_100000211400_100000749529 [0,1,0,1,0,0|2,0,0]=4 20894 B14R1.2470 COCCC(=O)N1CCCCCCC1 1626a_100000211400_100000749529 [0,1,0,1,0,0|2,0,0]=4 20895 B14R1.2470 COCCC(=O)N1CCCCCCC1 240690a_100000211400_100000749529 [0,1,0,1,0,0|2,0,0]=4 20896 B14R1.2470 COCCC(=O)N1CCCCCCC1 527a_100000211400_100000749529 [0,1,0,1,0,0|2,0,0]=4 20897 B14R1.2470 CSCCC(=O)N1CCCCCCC1 11a_100000211400_100000174002 [0,1,0,1,0,0|2,0,0]=4 20898 B14R1.2470 CSCCC(=O)N1CCCCCCC1 1626a_100000211400_100000174002 [0,1,0,1,0,0|2,0,0]=4 20899 B14R1.2470 CSCCC(=O)N1CCCCCCC1 240690a_100000211400_100000174002 [0,1,0,1,0,0|2,0,0]=4 20900 B14R1.2470 CSCCC(=O)N1CCCCCCC1 527a_100000211400_100000174002 [0,1,0,1,0,0|2,0,0]=4 20901 B14R1.2470 O=C(NCCF)N1CCCCCCC1 273464a_100000724931_100000211400 [0,1,0,1,0,0|2,0,0]=4 20902 B14R1.2470 O=C(NCCO)N1CCCCCCC1 273464a_100000210304_100000211400 [0,1,0,1,0,0|2,0,0]=4 20903 B14R1.2596 C#CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000753159 [0,1,0,1,0,0|1,0,1]=4 20904 B14R1.2596 C#CCCC(=O)CC1CCCCCC1 1458a_100000692101_200000696569 [0,1,0,1,0,0|1,0,1]=4 20905 B14R1.2596 C#CCNC(=O)CC1CCCCCC1 11a_100000212058_100000685095 [0,1,0,1,0,0|1,0,1]=4 20906 B14R1.2596 C#CCNC(=O)CC1CCCCCC1 1626a_100000212058_100000685095 [0,1,0,1,0,0|1,0,1]=4 20907 B14R1.2596 C#CCNC(=O)CC1CCCCCC1 240690a_100000212058_100000685095 [0,1,0,1,0,0|1,0,1]=4 20908 B14R1.2596 C#CCNC(=O)CC1CCCCCC1 527a_100000212058_100000685095 [0,1,0,1,0,0|1,0,1]=4 20909 B14R1.2596 C/C=C/CC(=O)CC1CCCCCC1 1458a_100000685095_100102629194 [0,1,0,1,0,0|1,0,1]=4 20910 B14R1.2596 C=C(CN1CCCCCC1)OCOC 269982a_100000185865_100000042856 [0,1,0,1,0,0|2,0,0]=4 20911 B14R1.2596 C=C(CN1CCCCCC1)OCOC 34a_100000185865_100000042856 [0,1,0,1,0,0|2,0,0]=4 20912 B14R1.2596 C=CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000754431 [0,1,0,1,0,0|1,0,1]=4 20913 B14R1.2596 C=CCCC(=O)CC1CCCCCC1 1458a_100000749702_200000696569 [0,1,0,1,0,0|1,0,1]=4 20914 B14R1.2596 C=CCNC(=O)CC1CCCCCC1 1626a_100020586998_100000685095 [0,1,0,1,0,0|1,0,1]=4 20915 B14R1.2596 C=CCNC(=O)CC1CCCCCC1 240690a_100020586998_100000685095 [0,1,0,1,0,0|1,0,1]=4 20916 B14R1.2596 C=CCNC(=O)CC1CCCCCC1 527a_100020586998_100000685095 [0,1,0,1,0,0|1,0,1]=4 20917 B14R1.2596 C=CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000033060 [0,1,0,1,0,0|1,0,1]=4 20918 B14R1.2596 C=CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000033060 [0,1,0,1,0,0|1,0,1]=4 20919 B14R1.2596 C=CCOC(=O)CN1CCCCCC1 34a_100000185865_100000033060 [0,1,0,1,0,0|1,0,1]=4 20920 B14R1.2596 CC#CCC(=O)CC1CCCCCC1 1458a_100000685095_100000748600 [0,1,0,1,0,0|1,0,1]=4 20921 B14R1.2596 CC=CCC(=O)CC1CCCCCC1 1458a_100000685095_100000070051 [0,1,0,1,0,0|1,0,1]=4 20922 B14R1.2596 CC=CCC(=O)CC1CCCCCC1 1458a_100121576822_200000696569 [0,1,0,1,0,0|1,0,1]=4 20923 B14R1.2596 CCC#CC(=O)CC1CCCCCC1 1458a_100011827653_200000696569 [0,1,0,1,0,0|1,0,0]=3 20924 B14R1.2596 CCC=CC(=O)CC1CCCCCC1 1458a_100000212282_200000696569 [0,1,0,1,0,0|1,0,0]=3 20925 B14R1.2596 CCC=CC(=O)NC1CCCCCC1 11a_100000210984_100000212282 [0,1,0,1,0,0|2,0,0]=4 20926 B14R1.2596 CCC=CC(=O)NC1CCCCCC1 1626a_100000210984_100000212282 [0,1,0,1,0,0|2,0,0]=4 20927 B14R1.2596 CCC=CC(=O)NC1CCCCCC1 240690a_100000210984_100000212282 [0,1,0,1,0,0|2,0,0]=4 20928 B14R1.2596 CCCCC(=O)CC1CCCCCC1 1458a_100000210183_200000696569 [0,1,0,1,0,0|1,0,0]=3 20929 B14R1.2596 CCCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210211 [0,1,0,1,0,0|1,0,0]=3 20930 B14R1.2596 CCCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210211 [0,1,0,1,0,0|2,0,0]=4 20931 B14R1.2596 CCCCC(=O)NC1CCCCCC1 11a_100000210984_100000210183 [0,1,0,1,0,0|2,0,0]=4 20932 B14R1.2596 CCCCC(=O)NC1CCCCCC1 1626a_100000210984_100000210183 [0,1,0,1,0,0|2,0,0]=4 20933 B14R1.2596 CCCCC(=O)NC1CCCCCC1 240690a_100000210984_100000210183 [0,1,0,1,0,0|2,0,0]=4 20934 B14R1.2596 CCCCC(=O)NC1CCCCCC1 527a_100000210984_100000210183 [0,1,0,1,0,0|2,0,0]=4 20935 B14R1.2596 CCCNC(=O)CC1CCCCCC1 11a_100020643023_100000685095 [0,1,0,1,0,0|1,0,0]=3 20936 B14R1.2596 CCCNC(=O)CC1CCCCCC1 1626a_100020643023_100000685095 [0,1,0,1,0,0|1,0,0]=3 20937 B14R1.2596 CCCNC(=O)CC1CCCCCC1 240690a_100020643023_100000685095 [0,1,0,1,0,0|1,0,0]=3 20938 B14R1.2596 CCCNC(=O)CC1CCCCCC1 527a_100020643023_100000685095 [0,1,0,1,0,0|1,0,0]=3 20939 B14R1.2596 CCCNC(=O)CN1CCCCCC1 11a_100020643023_100000740298 [0,1,0,1,0,0|2,0,0]=4 20940 B14R1.2596 CCCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183358 [0,1,0,1,0,0|2,0,0]=4 20941 B14R1.2596 CCCNC(=O)CN1CCCCCC1 240690a_100020643023_100000740298 [0,1,0,1,0,0|2,0,0]=4 20942 B14R1.2596 CCCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183358 [0,1,0,1,0,0|2,0,0]=4 20943 B14R1.2596 CCCNC(=O)CN1CCCCCC1 34a_100000185865_100000183358 [0,1,0,1,0,0|2,0,0]=4 20944 B14R1.2596 CCCNC(=O)CN1CCCCCC1 527a_100020643023_100000740298 [0,1,0,1,0,0|2,0,0]=4 20945 B14R1.2596 CCCNC(=O)NC1CCCCCC1 2708a_100000210984_100020643023 [0,1,0,1,0,0|2,0,0]=4 20946 B14R1.2596 CCCNC(=O)NC1CCCCCC1 2708a_100020643023_100000210984 [0,1,0,1,0,0|2,0,0]=4 20947 B14R1.2596 CCCNC(=O)NC1CCCCCC1 273464a_100000210984_100020643023 [0,1,0,1,0,0|2,0,0]=4 20948 B14R1.2596 CCCNC(=O)NC1CCCCCC1 273464a_100020643023_100000210984 [0,1,0,1,0,0|2,0,0]=4 20949 B14R1.2596 CCCNC(=O)NC1CCCCCC1 512a_100020643023_100000210984 [0,1,0,1,0,0|2,0,0]=4 20950 B14R1.2596 CCCOC(=O)CN1CCCCCC1 2230a_100000185865_200011215008 [0,1,0,1,0,0|1,0,0]=3 20951 B14R1.2596 CCCOC(=O)CN1CCCCCC1 269982a_100000185865_200011215008 [0,1,0,1,0,0|1,0,0]=3 20952 B14R1.2596 CCCOC(=O)CN1CCCCCC1 34a_100000185865_200011215008 [0,1,0,1,0,0|1,0,0]=3 20953 B14R1.2596 CCCOC(=O)CN1CCCOCC1 2230a_100000685342_200011215008 [0,1,0,1,0,0|2,0,0]=4 20954 B14R1.2596 CCCOC(=O)CN1CCCOCC1 269982a_100000685342_200011215008 [0,1,0,1,0,0|2,0,0]=4 20955 B14R1.2596 CCCOC(=O)CN1CCCOCC1 34a_100000685342_200011215008 [0,1,0,1,0,0|2,0,0]=4 20956 B14R1.2596 CCNCC(=O)NC1CCCCCC1 2230a_100015525214_100000183474 [0,1,0,1,0,0|2,0,0]=4 20957 B14R1.2596 CCNNC(=O)CC1CCCCCC1 22a_100000756455_100000685095 [0,1,0,1,0,0|1,0,0]=3 20958 B14R1.2596 CCNNC(=O)CN1CCCCCC1 22a_100000756455_100000740298 [0,1,0,1,0,0|2,0,0]=4 20959 B14R1.2596 CCNNC(=O)NC1CCCCCC1 273464a_100000210984_100000756455 [0,1,0,1,0,0|2,0,0]=4 20960 B14R1.2596 CCNNC(=O)NC1CCCCCC1 512a_100000756455_100000210984 [0,1,0,1,0,0|2,0,0]=4 20961 B14R1.2596 CCOCC(=O)CC1CCCCCC1 1458a_100000211967_200000696569 [0,1,0,1,0,0|0,0,0]=2 20962 B14R1.2596 CCOCC(=O)NC1CCCCCC1 11a_100000210984_100000211967 [0,1,0,1,0,0|1,0,0]=3 20963 B14R1.2596 CCOCC(=O)NC1CCCCCC1 1626a_100000210984_100000211967 [0,1,0,1,0,0|1,0,0]=3 20964 B14R1.2596 CCOCC(=O)NC1CCCCCC1 240690a_100000210984_100000211967 [0,1,0,1,0,0|1,0,0]=3 20965 B14R1.2596 CCOCC(=O)NC1CCCCCC1 34a_100121572206_100000183474 [0,1,0,1,0,0|1,0,0]=3 20966 B14R1.2596 CCOCC(=O)NC1CCCCCC1 527a_100000210984_100000211967 [0,1,0,1,0,0|1,0,0]=3 20967 B14R1.2596 CCSCC(=O)CC1CCCCCC1 1458a_100000230394_200000696569 [0,1,0,1,0,0|0,1,0]=3 20968 B14R1.2596 CCSCC(=O)NC1CCCCCC1 11a_100000210984_100000230394 [0,1,0,1,0,0|1,1,0]=4 20969 B14R1.2596 CCSCC(=O)NC1CCCCCC1 1626a_100000210984_100000230394 [0,1,0,1,0,0|1,1,0]=4 20970 B14R1.2596 CCSCC(=O)NC1CCCCCC1 240690a_100000210984_100000230394 [0,1,0,1,0,0|1,1,0]=4 20971 B14R1.2596 CCSCC(=O)NC1CCCCCC1 527a_100000210984_100000230394 [0,1,0,1,0,0|1,1,0]=4 20972 B14R1.2596 CCSCC(=O)NC1CCCCCC1 62a_100000183474_100000210202 [0,1,0,1,0,0|1,1,0]=4 20973 B14R1.2596 CCSCC(=O)NC1CCCCCC1 62a_100000210202_100000183474 [0,1,0,1,0,0|1,1,0]=4 20974 B14R1.2596 CNCCC(=O)NC1CCCCCC1 2230a_106832991635_200011271707 [0,1,0,1,0,0|2,0,0]=4 20975 B14R1.2596 CNCCC(=O)NC1CCCCCC1 7a_106832991635_200011271707 [0,1,0,1,0,0|2,0,0]=4 20976 B14R1.2596 COC=CC(=O)CC1CCCCCC1 1458a_100016268678_200000696569 [0,1,0,1,0,0|1,0,1]=4 20977 B14R1.2596 COCCC(=O)CC1CCCCCC1 1458a_100000685095_100000233755 [0,1,0,1,0,0|1,0,0]=3 20978 B14R1.2596 COCCC(=O)CC1CCCCCC1 1458a_100000749529_200000696569 [0,1,0,1,0,0|1,0,0]=3 20979 B14R1.2596 COCCC(=O)CN1CCCCCC1 1458a_100000740298_100000233755 [0,1,0,1,0,0|2,0,0]=4 20980 B14R1.2596 COCCC(=O)NC1CCCCCC1 11a_100000210984_100000749529 [0,1,0,1,0,0|2,0,0]=4 20981 B14R1.2596 COCCC(=O)NC1CCCCCC1 1626a_100000210984_100000749529 [0,1,0,1,0,0|2,0,0]=4 20982 B14R1.2596 COCCC(=O)NC1CCCCCC1 240690a_100000210984_100000749529 [0,1,0,1,0,0|2,0,0]=4 20983 B14R1.2596 COCCC(=O)NC1CCCCCC1 527a_100000210984_100000749529 [0,1,0,1,0,0|2,0,0]=4 20984 B14R1.2596 CSCCC(=O)CC1CCCCCC1 1458a_100000174002_200000696569 [0,1,0,1,0,0|1,0,0]=3 20985 B14R1.2596 CSCCC(=O)CC1CCCCCC1 1458a_100000685095_100000751147 [0,1,0,1,0,0|1,0,0]=3 20986 B14R1.2596 CSCCC(=O)CN1CCCCCC1 1458a_100000740298_100000751147 [0,1,0,1,0,0|2,0,0]=4 20987 B14R1.2596 CSCCC(=O)NC1CCCCCC1 11a_100000210984_100000174002 [0,1,0,1,0,0|2,0,0]=4 20988 B14R1.2596 CSCCC(=O)NC1CCCCCC1 1626a_100000210984_100000174002 [0,1,0,1,0,0|2,0,0]=4 20989 B14R1.2596 CSCCC(=O)NC1CCCCCC1 240690a_100000210984_100000174002 [0,1,0,1,0,0|2,0,0]=4 20990 B14R1.2596 CSCCC(=O)NC1CCCCCC1 527a_100000210984_100000174002 [0,1,0,1,0,0|2,0,0]=4 20991 B14R1.2596 CSCCC(=O)NC1CCCCCC1 62a_200000210301_200011271707 [0,1,0,1,0,0|2,0,0]=4 20992 B14R1.2596 CSCCC(=O)NC1CCCCCC1 62a_200011271707_200000210301 [0,1,0,1,0,0|2,0,0]=4 20993 B14R1.2596 N#CCCC(=O)CC1CCCCCC1 1458a_100000685095_100011215226 [0,1,0,1,0,0|1,0,1]=4 20994 B14R1.2596 N#CCCC(=O)CC1CCCCCC1 1458a_100011934036_200000696569 [0,1,0,1,0,0|1,0,1]=4 20995 B14R1.2596 N#CCNC(=O)CC1CCCCCC1 1626a_100000734998_100000685095 [0,1,0,1,0,0|1,0,1]=4 20996 B14R1.2596 N#CCNC(=O)CC1CCCCCC1 527a_100000734998_100000685095 [0,1,0,1,0,0|1,0,1]=4 20997 B14R1.2596 O=C(C#CCO)CC1CCCCCC1 1458a_100000049017_200000696569 [0,1,0,1,0,0|1,0,1]=4 20998 B14R1.2596 O=C(CC1CCCCCC1)NCCF 11a_100000724931_100000685095 [0,1,0,1,0,0|1,0,0]=3 20999 B14R1.2596 O=C(CC1CCCCCC1)NCCF 1626a_100000724931_100000685095 [0,1,0,1,0,0|1,0,0]=3 21000 B14R1.2596 O=C(CC1CCCCCC1)NCCF 240690a_100000724931_100000685095 [0,1,0,1,0,0|1,0,0]=3 21001 B14R1.2596 O=C(CC1CCCCCC1)NCCF 527a_100000724931_100000685095 [0,1,0,1,0,0|1,0,0]=3 21002 B14R1.2596 O=C(CC1CCCCCC1)NCCO 240690a_100000210304_100000685095 [0,1,0,1,0,0|1,0,0]=3 21003 B14R1.2596 O=C(CC1CCCCCC1)NCCO 527a_100000210304_100000685095 [0,1,0,1,0,0|1,0,0]=3 21004 B14R1.2596 O=C(CCCF)CC1CCCCCC1 1458a_100000685095_100011934791 [0,1,0,1,0,0|1,0,0]=3 21005 B14R1.2596 O=C(CCCF)CN1CCCCCC1 1458a_100000740298_100011934791 [0,1,0,1,0,0|2,0,0]=4 21006 B14R1.2596 O=C(CCCO)CC1CCCCCC1 1458a_100000685095_100011215043 [0,1,0,1,0,0|1,0,0]=3 21007 B14R1.2596 O=C(CCCO)CN1CCCCCC1 1458a_100000740298_100011215043 [0,1,0,1,0,0|2,0,0]=4 21008 B14R1.2596 O=C(CN1CCCCCC1)NCCF 11a_100000724931_100000740298 [0,1,0,1,0,0|2,0,0]=4 21009 B14R1.2596 O=C(CN1CCCCCC1)NCCF 240690a_100000724931_100000740298 [0,1,0,1,0,0|2,0,0]=4 21010 B14R1.2596 O=C(CN1CCCCCC1)NCCF 527a_100000724931_100000740298 [0,1,0,1,0,0|2,0,0]=4 21011 B14R1.2596 O=C(CN1CCCCCC1)NCCO 240690a_100000210304_100000740298 [0,1,0,1,0,0|2,0,0]=4 21012 B14R1.2596 O=C(CN1CCCCCC1)NCCO 527a_100000210304_100000740298 [0,1,0,1,0,0|2,0,0]=4 21013 B14R1.2596 O=C(NCCF)NC1CCCCCC1 2708a_100000210984_100000724931 [0,1,0,1,0,0|2,0,0]=4 21014 B14R1.2596 O=C(NCCF)NC1CCCCCC1 273464a_100000210984_100000724931 [0,1,0,1,0,0|2,0,0]=4 21015 B14R1.2596 O=C(NCCF)NC1CCCCCC1 273464a_100000724931_100000210984 [0,1,0,1,0,0|2,0,0]=4 21016 B14R1.2596 O=C(NCCO)NC1CCCCCC1 2708a_100000210984_100000210304 [0,1,0,1,0,0|2,0,0]=4 21017 B14R1.2596 O=C(NCCO)NC1CCCCCC1 273464a_100000210304_100000210984 [0,1,0,1,0,0|2,0,0]=4 21018 B14R1.2596 O=C(NCCO)NC1CCCCCC1 273464a_100000210984_100000210304 [0,1,0,1,0,0|2,0,0]=4 21019 B14R1.2596 [13CH3]SCCC(=O)NC1CCCCCC1 62a_200011271707_200025704644 [0,1,0,1,0,0|2,0,0]=4 21020 B14R1.2596 [13CH3]SCCC(=O)NC1CCCCCC1 62a_200025704644_200011271707 [0,1,0,1,0,0|2,0,0]=4 21021 B14R1.3339 CCCOC(=O)CN1CCC1COC 2230a_100015195929_200011215008 [0,1,0,1,0,0|2,0,0]=4 21022 B14R1.3339 CCCOC(=O)CN1CCC1COC 269982a_100015195929_200011215008 [0,1,0,1,0,0|2,0,0]=4 21023 B14R1.3339 CCCOC(=O)CN1CCC1COC 34a_100015195929_200011215008 [0,1,0,1,0,0|2,0,0]=4 21024 B14R1.3768 C#CCCCCCCC(=O)C1CCO1 1458a_100000089072_100012276617 [0,1,0,1,0,0|0,0,2]=4 21025 B14R1.3768 C=CCCCCCCC(=O)C1CCO1 1458a_100000089072_100011215473 [0,1,0,1,0,0|0,0,2]=4 21026 B14R1.3768 CCCCCC#CCC(=O)C1CCO1 1458a_100000089072_100009816472 [0,1,0,1,0,0|0,0,2]=4 21027 B14R1.3768 CCCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210759 [0,1,0,1,0,0|1,0,0]=3 21028 B14R1.3768 CCCCCCCCC(=O)C1CCC1 1458a_100000210188_100000749161 [0,1,0,1,0,0|1,0,0]=3 21029 B14R1.3768 CCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210759 [0,1,0,1,0,0|0,0,0]=2 21030 B14R1.3768 CCCCCCCCC(=O)C1COC1 1458a_100000210188_100000687716 [0,1,0,1,0,0|1,0,0]=3 21031 B14R1.3768 CCCCCCCCC(=O)C1COC1 1458a_100000758290_100000210759 [0,1,0,1,0,0|1,0,0]=3 21032 B14R1.3768 CCCCCCCCC(=O)N1CCC1 11a_100000754969_100000210188 [0,1,0,1,0,0|1,0,0]=3 21033 B14R1.3768 CCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000210188 [0,1,0,1,0,0|1,0,0]=3 21034 B14R1.3768 CCCCCCCCC(=O)N1CCC1 527a_100000754969_100000210188 [0,1,0,1,0,0|1,0,0]=3 21035 B14R1.3768 CCCCCCCNC(=O)C1CCC1 11a_100000229938_100000209988 [0,1,0,1,0,0|2,0,0]=4 21036 B14R1.3768 CCCCCCCNC(=O)C1CCC1 1626a_100000229938_100000209988 [0,1,0,1,0,0|2,0,0]=4 21037 B14R1.3768 CCCCCCCNC(=O)C1CCC1 240690a_100000229938_100000209988 [0,1,0,1,0,0|2,0,0]=4 21038 B14R1.3768 CCCCCCCNC(=O)C1CCC1 527a_100000229938_100000209988 [0,1,0,1,0,0|2,0,0]=4 21039 B14R1.3768 CCCCCCCNC(=O)C1CCO1 11a_100000229938_100000089072 [0,1,0,1,0,0|1,0,0]=3 21040 B14R1.3768 CCCCCCCNC(=O)C1CCO1 1626a_100000229938_100000089072 [0,1,0,1,0,0|1,0,0]=3 21041 B14R1.3768 CCCCCCCNC(=O)C1CCO1 240690a_100000229938_100000089072 [0,1,0,1,0,0|1,0,0]=3 21042 B14R1.3768 CCCCCCCNC(=O)C1CCO1 527a_100000229938_100000089072 [0,1,0,1,0,0|1,0,0]=3 21043 B14R1.3768 CCCCCCCNC(=O)C1COC1 11a_100000229938_100000758290 [0,1,0,1,0,0|2,0,0]=4 21044 B14R1.3768 CCCCCCCNC(=O)C1COC1 1626a_100000229938_100000758290 [0,1,0,1,0,0|2,0,0]=4 21045 B14R1.3768 CCCCCCCNC(=O)C1COC1 240690a_100000229938_100000758290 [0,1,0,1,0,0|2,0,0]=4 21046 B14R1.3768 CCCCCCCNC(=O)C1COC1 527a_100000229938_100000758290 [0,1,0,1,0,0|2,0,0]=4 21047 B14R1.3768 CCCCCCCNC(=O)N1CCC1 2708a_100000229938_100000754969 [0,1,0,1,0,0|2,0,0]=4 21048 B14R1.3768 CCCCCCCNC(=O)N1CCC1 273464a_100000229938_100000754969 [0,1,0,1,0,0|2,0,0]=4 21049 B14R1.3768 CCCCCCNCC(=O)C1CCC1 2230a_100000210581_100000686122 [0,1,0,1,0,0|2,0,0]=4 21050 B14R1.3768 CCCCCCNCC(=O)N1CCC1 2230a_100000210581_100000185095 [0,1,0,1,0,0|2,0,0]=4 21051 B14R1.3768 CCCCCCOCC(=O)C1CCC1 34a_100000210259_100000686122 [0,1,0,1,0,0|2,0,0]=4 21052 B14R1.3768 CCCCCCOCC(=O)C1CCC1 7a_100000210259_100000686122 [0,1,0,1,0,0|2,0,0]=4 21053 B14R1.3768 CCCCCCOCC(=O)N1CCC1 34a_100000210259_100000185095 [0,1,0,1,0,0|2,0,0]=4 21054 B14R1.3768 CCCCCCOCC(=O)N1CCC1 7a_100000210259_100000185095 [0,1,0,1,0,0|2,0,0]=4 21055 B14R1.3768 CCCCCCSCC(=O)C1CCC1 62a_100000210314_100000686122 [0,1,0,1,0,0|2,0,0]=4 21056 B14R1.3768 CCCCCCSCC(=O)C1CCC1 62a_100000686122_100000210757 [0,1,0,1,0,0|2,0,0]=4 21057 B14R1.3768 CCCCCCSCC(=O)N1CCC1 62a_100000185095_100000210757 [0,1,0,1,0,0|2,0,0]=4 21058 B14R1.3768 CCCCCCSCC(=O)N1CCC1 62a_100000210314_100000185095 [0,1,0,1,0,0|2,0,0]=4 21059 B14R1.3768 CCCCSCCNC(=O)C1CCO1 11a_100025743550_100000089072 [0,1,0,1,0,0|2,0,0]=4 21060 B14R1.3768 CCCCSCCNC(=O)C1CCO1 1626a_100025743550_100000089072 [0,1,0,1,0,0|2,0,0]=4 21061 B14R1.3768 CCCCSCCNC(=O)C1CCO1 240690a_100025743550_100000089072 [0,1,0,1,0,0|2,0,0]=4 21062 B14R1.3768 CCCCSCCNC(=O)C1CCO1 527a_100025743550_100000089072 [0,1,0,1,0,0|2,0,0]=4 21063 B14R1.3768 CCCOCCCNC(=O)C1CCO1 1626a_100011217757_100000089072 [0,1,0,1,0,0|2,0,0]=4 21064 B14R1.3768 CCCOCCCNC(=O)C1CCO1 240690a_100011217757_100000089072 [0,1,0,1,0,0|2,0,0]=4 21065 B14R1.3768 CCCOCCCNC(=O)C1CCO1 527a_100011217757_100000089072 [0,1,0,1,0,0|2,0,0]=4 21066 B14R1.3768 CCOCCOCCC(=O)C1CCO1 1458a_100000089072_100011211534 [0,1,0,1,0,0|2,0,0]=4 21067 B14R1.3768 COCCCCCCC(=O)C1CCC1 1458a_100000209988_100011998445 [0,1,0,1,0,0|2,0,0]=4 21068 B14R1.3768 COCCCCCCC(=O)C1CCO1 1458a_100000089072_100011998445 [0,1,0,1,0,0|1,0,0]=3 21069 B14R1.3768 COCCCCCCC(=O)C1COC1 1458a_100000758290_100011998445 [0,1,0,1,0,0|2,0,0]=4 21070 B14R1.3768 COCCCCCNC(=O)C1CCO1 11a_100000747528_100000089072 [0,1,0,1,0,0|2,0,0]=4 21071 B14R1.3768 COCCCCCNC(=O)C1CCO1 1626a_100000747528_100000089072 [0,1,0,1,0,0|2,0,0]=4 21072 B14R1.3768 COCCCCCNC(=O)C1CCO1 240690a_100000747528_100000089072 [0,1,0,1,0,0|2,0,0]=4 21073 B14R1.3768 COCCCCCNC(=O)C1CCO1 527a_100000747528_100000089072 [0,1,0,1,0,0|2,0,0]=4 21074 B14R1.3768 COCCOCCCC(=O)C1CCO1 1458a_100000089072_100011216529 [0,1,0,1,0,0|2,0,0]=4 21075 B14R1.3768 N#CCCCCCCC(=O)C1CCO1 1458a_100000089072_100009813337 [0,1,0,1,0,0|1,0,1]=4 21076 B14R1.3768 O=C(CCCCCCCO)C1CCC1 1458a_100000209988_100000760002 [0,1,0,1,0,0|2,0,0]=4 21077 B14R1.3768 O=C(CCCCCCCO)C1CCC1 1458a_100011219782_100000749161 [0,1,0,1,0,0|2,0,0]=4 21078 B14R1.3768 O=C(CCCCCCCO)C1CCO1 1458a_100000089072_100000760002 [0,1,0,1,0,0|1,0,0]=3 21079 B14R1.3768 O=C(CCCCCCCO)C1COC1 1458a_100000758290_100000760002 [0,1,0,1,0,0|2,0,0]=4 21080 B14R1.3768 O=C(CCCCCCCO)C1COC1 1458a_100011219782_100000687716 [0,1,0,1,0,0|2,0,0]=4 21081 B14R1.3768 O=C(CCCCCCCO)N1CCC1 240690a_100000754969_100011219782 [0,1,0,1,0,0|2,0,0]=4 21082 B14R1.3768 O=C(NCCCCCCO)C1CCO1 240690a_100000686447_100000089072 [0,1,0,1,0,0|2,0,0]=4 21083 B14R1.3768 O=C(NCCCCCCO)C1CCO1 527a_100000686447_100000089072 [0,1,0,1,0,0|2,0,0]=4 21084 B14R1.3770 CCCCCCCCC(=O)CC1CC1 1458a_100000210188_100000742324 [0,1,0,1,0,0|1,0,0]=3 21085 B14R1.3770 CCCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210759 [0,1,0,1,0,0|1,0,0]=3 21086 B14R1.3770 CCCCCCCCC(=O)CC1CO1 1458a_100000210188_100011216344 [0,1,0,1,0,0|1,0,0]=3 21087 B14R1.3770 CCCCCCCCC(=O)CC1CS1 1458a_100000210188_100000031435 [0,1,0,1,0,0|1,0,0]=3 21088 B14R1.3770 CCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000210188_100000745022 [0,1,0,1,0,0|1,0,0]=3 21089 B14R1.3770 CCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000210188 [0,1,0,1,0,0|1,0,0]=3 21090 B14R1.3770 CCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000210188 [0,1,0,1,0,0|1,0,0]=3 21091 B14R1.3770 CCCCCCCCC(=O)NC1CC1 527a_100000212008_100000210188 [0,1,0,1,0,0|1,0,0]=3 21092 B14R1.3770 CCCCCCCCC(C)OC1CC1 34a_100000210740_100000211595 [0,1,0,1,0,0|1,0,1]=4 21093 B14R1.3770 CCCCCCCNC(=O)CC1CC1 11a_100000229938_100000738066 [0,1,0,1,0,0|2,0,0]=4 21094 B14R1.3770 CCCCCCCNC(=O)CC1CC1 1626a_100000229938_100000738066 [0,1,0,1,0,0|2,0,0]=4 21095 B14R1.3770 CCCCCCCNC(=O)CC1CC1 240690a_100000229938_100000738066 [0,1,0,1,0,0|2,0,0]=4 21096 B14R1.3770 CCCCCCCNC(=O)CC1CC1 527a_100000229938_100000738066 [0,1,0,1,0,0|2,0,0]=4 21097 B14R1.3770 CCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000229938 [0,1,0,1,0,0|2,0,0]=4 21098 B14R1.3770 CCCCCCCNC(=O)NC1CC1 2708a_100000229938_100000212008 [0,1,0,1,0,0|2,0,0]=4 21099 B14R1.3770 CCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000229938 [0,1,0,1,0,0|2,0,0]=4 21100 B14R1.3770 CCCCCCCNC(=O)NC1CC1 273464a_100000229938_100000212008 [0,1,0,1,0,0|2,0,0]=4 21101 B14R1.3770 CCCCCCCNC(=O)NC1CC1 512a_100000212008_100000229938 [0,1,0,1,0,0|2,0,0]=4 21102 B14R1.3770 CCCCCCNCC(=O)NC1CC1 2230a_100000210581_100000182950 [0,1,0,1,0,0|2,0,0]=4 21103 B14R1.3770 CCCCCCNCC(=O)NC1CC1 2230a_100000702991_100000210314 [0,1,0,1,0,0|2,0,0]=4 21104 B14R1.3770 CCCCCCOCC(=O)NC1CC1 34a_100000210259_100000182950 [0,1,0,1,0,0|2,0,0]=4 21105 B14R1.3770 CCCCCCOCC(=O)NC1CC1 7a_100000210259_100000182950 [0,1,0,1,0,0|2,0,0]=4 21106 B14R1.3770 CCCCCCSCC(=O)NC1CC1 62a_100000182950_100000210757 [0,1,0,1,0,0|2,0,0]=4 21107 B14R1.3770 CCCCCCSCC(=O)NC1CC1 62a_100000210314_100000182950 [0,1,0,1,0,0|2,0,0]=4 21108 B14R1.3770 CCCCCNCCC(=O)NC1CC1 2230a_100000209983_100000737409 [0,1,0,1,0,0|2,0,0]=4 21109 B14R1.3770 CCCCCOCCC(=O)NC1CC1 34a_100000210253_100000737409 [0,1,0,1,0,0|2,0,0]=4 21110 B14R1.3770 CCCCCSCCC(=O)NC1CC1 62a_100000210326_100000737409 [0,1,0,1,0,0|2,0,0]=4 21111 B14R1.3770 CCCCCSCCC(=O)NC1CC1 62a_100000737409_100000210326 [0,1,0,1,0,0|2,0,0]=4 21112 B14R1.3770 COCCCCCCC(=O)CC1CC1 1458a_100000738066_100011998445 [0,1,0,1,0,0|2,0,0]=4 21113 B14R1.3770 O=C(CCCCCCCO)CC1CC1 1458a_100000738066_100000760002 [0,1,0,1,0,0|2,0,0]=4 21114 B14R1.3770 O=C(CCCCCCCO)CC1CC1 1458a_100011219782_100000742324 [0,1,0,1,0,0|2,0,0]=4 21115 B14R1.3770 O=C(CCCCCCCO)CC1CO1 1458a_100011219782_100011216344 [0,1,0,1,0,0|2,0,0]=4 21116 B14R1.3770 O=C(CCCCCCCO)CC1CS1 1458a_100011219782_100000031435 [0,1,0,1,0,0|2,0,0]=4 21117 B14R1.3770 O=C(CCCCCCCO)C[C@@H]1CO1 1458a_100011219782_100000745022 [0,1,0,1,0,0|2,0,0]=4 21118 B14R1.3770 O=C(CCCCCCCO)NC1CC1 240690a_100000212008_100011219782 [0,1,0,1,0,0|2,0,0]=4 21119 B14R1.16946 CC1CC1C(=O)CCCCCCCO 1458a_100000211227_100000760002 [0,1,0,1,0,0|2,0,0]=4 21120 B14R1.16946 CCCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210759 [0,1,0,1,0,0|1,0,0]=3 21121 B14R1.16946 CCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210759 [0,1,0,1,0,0|1,0,0]=3 21122 B14R1.16946 CCCCCCCNC(=O)C1CC1C 11a_100000229938_100000211227 [0,1,0,1,0,0|2,0,0]=4 21123 B14R1.16946 CCCCCCCNC(=O)C1CC1C 1626a_100000229938_100000211227 [0,1,0,1,0,0|2,0,0]=4 21124 B14R1.16946 CCCCCCCNC(=O)C1CC1C 527a_100000229938_100000211227 [0,1,0,1,0,0|2,0,0]=4 21125 B14R1.16946 CCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000229938_100015396687 [0,1,0,1,0,0|2,0,0]=4 21126 B14R1.16946 CCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000229938_100015396687 [0,1,0,1,0,0|2,0,0]=4 21127 B14R1.16946 CCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000229938_100015396687 [0,1,0,1,0,0|2,0,0]=4 21128 B14R1.16946 COCCCCCCC(=O)C1CC1C 1458a_100000211227_100011998445 [0,1,0,1,0,0|2,0,0]=4 21129 B14R1.16946 COCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011998445 [0,1,0,1,0,0|2,0,0]=4 21130 B14R1.16946 O=C(CCCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000760002 [0,1,0,1,0,0|2,0,0]=4 21131 B14R1.17 CCCC(=O)NC1CCCC(C1C)C 11a_100000211273_100000211992 [0,1,0,1,0,0|2,0,0]=4 21132 B14R1.17 CCCC(=O)NC1CCCC(C1C)C 1626a_100000211273_100000211992 [0,1,0,1,0,0|2,0,0]=4 21133 B14R1.17 CCCC(=O)NC1CCCC(C1C)C 240690a_100000211273_100000211992 [0,1,0,1,0,0|2,0,0]=4 21134 B14R1.17 CCCC(=O)NC1CCCC(C1C)C 527a_100000211273_100000211992 [0,1,0,1,0,0|2,0,0]=4 21135 B14R1.17 CCNC(=O)NC1CCCC(C1C)C 2708a_100000211273_100015525214 [0,1,0,1,0,0|2,0,0]=4 21136 B14R1.17 CCNC(=O)NC1CCCC(C1C)C 2708a_100015525214_100000211273 [0,1,0,1,0,0|2,0,0]=4 21137 B14R1.17 CCNC(=O)NC1CCCC(C1C)C 273464a_100000211273_100015525214 [0,1,0,1,0,0|2,0,0]=4 21138 B14R1.17 CCNC(=O)NC1CCCC(C1C)C 273464a_100015525214_100000211273 [0,1,0,1,0,0|2,0,0]=4 21139 B14R1.17 CCNC(=O)NC1CCCC(C1C)C 512a_100000211273_100015525214 [0,1,0,1,0,0|2,0,0]=4 21140 B14R1.17 CCNC(=O)NC1CCCC(C1C)C 512a_100015525214_100000211273 [0,1,0,1,0,0|2,0,0]=4 21141 B14R1.502 C=C1CCN(CC1)CCC(=O)OCC 2230a_100000752442_100011206558 [0,1,0,1,0,0|1,0,1]=4 21142 B14R1.502 C=C1CCN(CC1)CCC(=O)OCC 269982a_100000752442_100011206558 [0,1,0,1,0,0|1,0,1]=4 21143 B14R1.502 C=C1CCN(CC1)CCC(=O)OCC 34a_100000752442_100000765890 [0,1,0,1,0,0|1,0,1]=4 21144 B14R1.502 CCCC(=O)CCN1CCC(CC1)C 1458a_100000740328_100000210303 [0,1,0,1,0,0|2,0,0]=4 21145 B14R1.502 CCCC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000747444 [0,1,0,1,0,0|2,0,0]=4 21146 B14R1.502 CCCC(=O)COC1CCC(CC1)C 7a_100000210714_100000747444 [0,1,0,1,0,0|2,0,0]=4 21147 B14R1.502 CCCC(=O)CSC1CCC(CC1)C 62a_100000747444_200011216234 [0,1,0,1,0,0|2,0,0]=4 21148 B14R1.502 CCCC(=O)NCC1CCC(CC1)C 11a_103436935547_100000211992 [0,1,0,1,0,0|2,0,0]=4 21149 B14R1.502 CCCC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000211992 [0,1,0,1,0,0|2,0,0]=4 21150 B14R1.502 CCCC(=O)NCC1CCC(CC1)C 240690a_103436935547_100000211992 [0,1,0,1,0,0|2,0,0]=4 21151 B14R1.502 CCCC(=O)NCC1CCC(CC1)C 527a_103436935547_100000211992 [0,1,0,1,0,0|2,0,0]=4 21152 B14R1.502 CCNC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000737597 [0,1,0,1,0,0|2,0,0]=4 21153 B14R1.502 CCNC(=O)CCN1CCC(CC1)C 240690a_100015525214_100000740328 [0,1,0,1,0,0|2,0,0]=4 21154 B14R1.502 CCNC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000737597 [0,1,0,1,0,0|2,0,0]=4 21155 B14R1.502 CCNC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000737597 [0,1,0,1,0,0|2,0,0]=4 21156 B14R1.502 CCNC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000737597 [0,1,0,1,0,0|2,0,0]=4 21157 B14R1.502 CCNC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000737597 [0,1,0,1,0,0|2,0,0]=4 21158 B14R1.502 CCNC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000737597 [0,1,0,1,0,0|2,0,0]=4 21159 B14R1.502 CCNC(=O)CNC1CCC(CC1)C 270004a_100016988866_100000185489 [0,1,0,1,0,0|2,0,0]=4 21160 B14R1.502 CCNC(=O)CNC1CCC(CC1)O 270004a_100016988866_100000764474 [0,1,0,1,0,0|2,0,0]=4 21161 B14R1.502 CCNC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000183381 [0,1,0,1,0,0|2,0,0]=4 21162 B14R1.502 CCNC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000183381 [0,1,0,1,0,0|2,0,0]=4 21163 B14R1.502 CCNC(=O)COC1CCC(CC1)C 34a_100000210714_100000183381 [0,1,0,1,0,0|2,0,0]=4 21164 B14R1.502 CCNC(=O)COC1CCC(CC1)C 7a_100000210714_100000183381 [0,1,0,1,0,0|2,0,0]=4 21165 B14R1.502 CCNC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000183381 [0,1,0,1,0,0|2,0,0]=4 21166 B14R1.502 CCNC(=O)CSC1CCC(CC1)C 62a_100000183381_200011216234 [0,1,0,1,0,0|2,0,0]=4 21167 B14R1.502 CCNC(=O)NCC1CCC(CC1)C 2708a_100015525214_103436935547 [0,1,0,1,0,0|2,0,0]=4 21168 B14R1.502 CCNC(=O)NCC1CCC(CC1)C 2708a_103436935547_100015525214 [0,1,0,1,0,0|2,0,0]=4 21169 B14R1.502 CCNC(=O)NCC1CCC(CC1)C 273464a_100015525214_103436935547 [0,1,0,1,0,0|2,0,0]=4 21170 B14R1.502 CCNC(=O)NCC1CCC(CC1)C 273464a_103436935547_100015525214 [0,1,0,1,0,0|2,0,0]=4 21171 B14R1.502 CCNC(=O)NCC1CCC(CC1)C 512a_100015525214_103436935547 [0,1,0,1,0,0|2,0,0]=4 21172 B14R1.502 CCOC(=O)CCN1CCC(CC1)C 2230a_100000188429_100011206558 [0,1,0,1,0,0|1,0,0]=3 21173 B14R1.502 CCOC(=O)CCN1CCC(CC1)C 269982a_100000188429_100011206558 [0,1,0,1,0,0|1,0,0]=3 21174 B14R1.502 CCOC(=O)CCN1CCC(CC1)C 34a_100000188429_100000765890 [0,1,0,1,0,0|1,0,0]=3 21175 B14R1.502 CCOC(=O)CCN1CCC(CC1)F 2230a_100015193889_100011206558 [0,1,0,1,0,0|1,0,0]=3 21176 B14R1.502 CCOC(=O)CCN1CCC(CC1)F 269982a_100015193889_100011206558 [0,1,0,1,0,0|1,0,0]=3 21177 B14R1.502 CCOC(=O)CCN1CCC(CC1)F 34a_100015193889_100000765890 [0,1,0,1,0,0|1,0,0]=3 21178 B14R1.502 CCOC(=O)CCN1CCC(CC1)O 2230a_100025773856_100011206558 [0,1,0,1,0,0|1,0,0]=3 21179 B14R1.502 CCOC(=O)CCN1CCC(CC1)O 269982a_100025773856_100011206558 [0,1,0,1,0,0|1,0,0]=3 21180 B14R1.502 CCOC(=O)CCN1CCN(CC1)C 2230a_100000188432_100011206558 [0,1,0,1,0,0|2,0,0]=4 21181 B14R1.502 CCOC(=O)CCN1CCN(CC1)C 269982a_100000188432_100011206558 [0,1,0,1,0,0|2,0,0]=4 21182 B14R1.502 CCOC(=O)CCN1CCS(=O)CC1 2230a_100000752083_100011206558 [0,1,0,1,0,0|2,0,0]=4 21183 B14R1.502 CCOC(=O)CCN1CCS(=O)CC1 269982a_100000752083_100011206558 [0,1,0,1,0,0|2,0,0]=4 21184 B14R1.502 CCOC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000188475 [0,1,0,1,0,0|1,0,0]=3 21185 B14R1.502 CCOC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000188475 [0,1,0,1,0,0|1,0,0]=3 21186 B14R1.502 CCOC(=O)COC1CCC(=O)CC1 34a_100000764474_100000188475 [0,1,0,1,0,0|1,0,1]=4 21187 B14R1.502 CCOC(=O)COC1CCC(=O)CC1 7a_100000764474_100000188475 [0,1,0,1,0,0|1,0,1]=4 21188 B14R1.502 CCOC(=O)COC1CCC(CC1)C 34a_100000210714_100000188475 [0,1,0,1,0,0|1,0,0]=3 21189 B14R1.502 CCOC(=O)COC1CCC(CC1)C 7a_100000210714_100000188475 [0,1,0,1,0,0|1,0,0]=3 21190 B14R1.502 CCOC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000188475 [0,1,0,1,0,0|1,0,0]=3 21191 B14R1.502 CCOC(=O)CSC1CCC(CC1)C 62a_100000188475_200011216234 [0,1,0,1,0,0|1,0,0]=3 21192 B14R1.502 CCOC(=O)CSC1CCN(CC1)C 62a_100000188475_100011215917 [0,1,0,1,0,0|2,0,0]=4 21193 B14R1.519 CCNC(=O)CCNC1CCC(C1)C 270004a_100025743525_100011215218 [0,1,0,1,0,0|2,0,0]=4 21194 B14R1.519 CCNC(=O)CCNC1CCC(C1)O 270004a_100025743525_100012614533 [0,1,0,1,0,0|2,0,0]=4 21195 B14R1.519 CCNC(=O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000737597 [0,1,0,1,0,0|2,0,0]=4 21196 B14R1.519 CCOC(=O)CCCN1CCC(C1)O 2230a_100011215560_100009991533 [0,1,0,1,0,0|1,0,0]=3 21197 B14R1.519 CCOC(=O)CCCN1CCC(C1)O 269982a_100011215560_100009991533 [0,1,0,1,0,0|1,0,0]=3 21198 B14R1.519 CCOC(=O)CCCN1CC[C@@H](C1)F 2230a_100015203821_100009991533 [0,1,0,1,0,0|1,0,0]=3 21199 B14R1.519 CCOC(=O)CCCN1CC[C@@H](C1)F 269982a_100015203821_100009991533 [0,1,0,1,0,0|1,0,0]=3 21200 B14R1.519 CCOC(=O)CCCN1CC[C@@H](C1)F 34a_100015203821_100009991533 [0,1,0,1,0,0|1,0,0]=3 21201 B14R1.519 CCOC(=O)CCCN1CC[C@H](C1)C 2230a_100016987628_100009991533 [0,1,0,1,0,0|1,0,0]=3 21202 B14R1.519 CCOC(=O)CCCN1CC[C@H](C1)C 269982a_100016987628_100009991533 [0,1,0,1,0,0|1,0,0]=3 21203 B14R1.519 CCOC(=O)CCCN1CC[C@H](C1)C 34a_100016987628_100009991533 [0,1,0,1,0,0|1,0,0]=3 21204 B14R1.519 CCOC(=O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011206558 [0,1,0,1,0,0|1,0,0]=3 21205 B14R1.519 CCOC(=O)CCOC1CCC(=O)C1 34a_100012614533_100000765890 [0,1,0,1,0,0|1,0,1]=4 21206 B14R1.519 CCOC(=O)CCOC1CCC(C1)C 34a_100000698185_100000765890 [0,1,0,1,0,0|1,0,0]=3 21207 B14R1.519 CCOC(=O)CCSC1CCN(C1)C 62a_100000765890_200012183744 [0,1,0,1,0,0|2,0,0]=4 21208 B14R1.519 CCOC(=O)COC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000188475 [0,1,0,1,0,0|2,0,0]=4 21209 B14R1.519 CCOC(=O)CSCC1CCN(C1)C 62a_100000188475_200000690779 [0,1,0,1,0,0|2,0,0]=4 21210 B14R1.519 CCOC(=O)CSCC1CCN(C1)C 62a_200000690779_100000188475 [0,1,0,1,0,0|2,0,0]=4 21211 B14R1.519 CCOC(=O)NCCN1CCC(C1)O 269982a_100011215560_200011445536 [0,1,0,1,0,0|2,0,0]=4 21212 B14R1.519 CCOC(=O)NCCN1CC[C@@H](C1)F 269982a_100015203821_200011445536 [0,1,0,1,0,0|2,0,0]=4 21213 B14R1.519 CCOC(=O)NCCN1CC[C@H](C1)C 269982a_100016987628_200011445536 [0,1,0,1,0,0|2,0,0]=4 21214 B14R1.631 CCNC(=O)[C@@H]1CCCN1C(C)CC 2230a_100020641767_100000758301 [0,1,0,1,0,0|2,0,0]=4 21215 B14R1.631 CCNC(=O)[C@@H]1CCCN1C(C)CC 269982a_100020641767_100000758301 [0,1,0,1,0,0|2,0,0]=4 21216 B14R1.631 CCNC(=O)[C@@H]1CCCN1C(C)CC 34a_100020641767_100011215416 [0,1,0,1,0,0|2,0,0]=4 21217 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(=O)CC 11a_100000703725_100000210414 [0,1,0,1,0,0|1,0,1]=4 21218 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(=O)CC 1626a_100000703725_100000210414 [0,1,0,1,0,0|1,0,1]=4 21219 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(=O)CC 240690a_100000703725_100000210414 [0,1,0,1,0,0|1,0,1]=4 21220 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(=O)CC 527a_100000703725_100000210414 [0,1,0,1,0,0|1,0,1]=4 21221 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(C)CC 2230a_100000703725_100000758301 [0,1,0,1,0,0|1,0,0]=3 21222 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(C)CC 269982a_100000703725_100000758301 [0,1,0,1,0,0|1,0,0]=3 21223 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(C)CO 2230a_100000703725_100012180447 [0,1,0,1,0,0|2,0,0]=4 21224 B14R1.631 CCOC(=O)[C@@H]1CCCN1C(C)OC 269982a_100000703725_100009879195 [0,1,0,1,0,0|2,0,0]=4 21225 B14R1.631 CCOC(=O)[C@@H]1CCCN1[C@H](C)CO 269982a_100000703725_100016084084 [0,1,0,1,0,0|2,0,0]=4 21226 B14R1.631 CCOC(=O)[C@@H]1CSCN1C(C)CC 269982a_100016989239_100000758301 [0,1,0,1,0,0|2,0,0]=4 21227 B14R1.819 CCC(C)CCCOC1CCCC1=O 7a_100011216074_100000211823 [0,1,0,1,0,0|2,0,0]=4 21228 B14R1.819 CCC(C)CCCOC1CCOC1=O 7a_100011216074_100000211211 [0,1,0,1,0,0|1,0,0]=3 21229 B14R1.819 CCN(C)CCCSC1CCOC1=O 62a_100000211211_100015186262 [0,1,0,1,0,0|2,0,0]=4 21230 B14R1.819 C[C@@H](CN)CCCOC1CCOC1=O 34a_100160569302_100000211211 [0,1,0,1,0,0|2,0,0]=4 21231 B14R1.962 CCOC(=O)CC1CCCN(C1)CC 2230a_100015200144_100000210202 [0,1,0,1,0,0|1,0,0]=3 21232 B14R1.962 CCOC(=O)CC1CCCN(C1)CC 269982a_100015200144_100000204670 [0,1,0,1,0,0|1,0,0]=3 21233 B14R1.962 CCOC(=O)CC1CCCN(C1)CF 269982a_100015200144_100015361967 [0,1,0,1,0,0|2,0,0]=4 21234 B14R1.962 CCOC(=O)CN1CCCC(C1)CF 2230a_100016992999_100000188475 [0,1,0,1,0,0|2,0,0]=4 21235 B14R1.962 CCOC(=O)CN1CCCC(C1)CF 269982a_100016992999_100000188475 [0,1,0,1,0,0|2,0,0]=4 21236 B14R1.962 CCOC(=O)CN1CCCC(C1)CF 34a_100016992999_100000188475 [0,1,0,1,0,0|2,0,0]=4 21237 B14R1.962 CCOC(=O)CN1CCCC(C1)CO 2230a_100000211344_100000188475 [0,1,0,1,0,0|2,0,0]=4 21238 B14R1.962 CCOC(=O)CN1CCCC(C1)CO 269982a_100000211344_100000188475 [0,1,0,1,0,0|2,0,0]=4 21239 B14R1.962 CCOC(=O)CN1CCCC(C1)CO 34a_100000211344_100000188475 [0,1,0,1,0,0|2,0,0]=4 21240 B14R1.962 CCOC(=O)CN1CCCC(C1)OC 2230a_100000695604_100000188475 [0,1,0,1,0,0|2,0,0]=4 21241 B14R1.962 CCOC(=O)CN1CCCC(C1)OC 269982a_100000695604_100000188475 [0,1,0,1,0,0|2,0,0]=4 21242 B14R1.962 CCOC(=O)CN1CCCC(C1)OC 34a_100000695604_100000188475 [0,1,0,1,0,0|2,0,0]=4 21243 B14R1.962 CCOC(=O)CN1CCOC(C1)CC 2230a_100000736320_100000188475 [0,1,0,1,0,0|2,0,0]=4 21244 B14R1.962 CCOC(=O)CN1CCOC(C1)CC 269982a_100000736320_100000188475 [0,1,0,1,0,0|2,0,0]=4 21245 B14R1.962 CCOC(=O)CN1CCOC(C1)CC 34a_100000736320_100000188475 [0,1,0,1,0,0|2,0,0]=4 21246 B14R1.969 CCOC(=O)CN1CCC[C@@]1(C)CO 2230a_100016195882_100000188475 [0,1,0,1,0,0|2,0,0]=4 21247 B14R1.969 CCOC(=O)CN1CCC[C@@]1(C)CO 269982a_100016195882_100000188475 [0,1,0,1,0,0|2,0,0]=4 21248 B14R1.969 CCOC(=O)CN1CCC[C@@]1(C)CO 34a_100016195882_100000188475 [0,1,0,1,0,0|2,0,0]=4 21249 B14R1.1025 CCC(C)COCC1CCNC(=O)C1 34a_100009886756_100000748023 [0,1,0,1,0,0|2,0,0]=4 21250 B14R1.1025 CCC(O)COCC1CCNC(=O)C1 34a_100009886756_100011218378 [0,1,0,1,0,0|2,0,0]=4 21251 B14R1.1025 CCN(C)CCCN1CCOC(=O)C1 2230a_100000131268_100015186262 [0,1,0,1,0,0|2,0,0]=4 21252 B14R1.1025 CC[C@H](C)COCC1CCNC(=O)C1 34a_100009886756_100009816398 [0,1,0,1,0,0|2,0,0]=4 21253 B14R1.1129 CCC(C)CCCOCC(=O)C1CC1 7a_100011216074_100000746382 [0,1,0,1,0,0|2,0,0]=4 21254 B14R1.2613 CCC1CCC(C1)CCC(=O)CCF 1458a_200009887184_100011217306 [0,1,0,1,0,0|2,0,0]=4 21255 B14R1.2613 CCC1CCC(C1)CCC(=O)CCO 1458a_200009887184_100000211926 [0,1,0,1,0,0|2,0,0]=4 21256 B14R1.2613 CCC1CCC(C1)CCC(=O)NNC 22a_100016993582_200009887184 [0,1,0,1,0,0|2,0,0]=4 21257 B14R1.2613 CCCC(=O)CCC1CCC(C1)CC 1458a_200009887184_100000210303 [0,1,0,1,0,0|1,0,0]=3 21258 B14R1.2613 CCNC(=O)CCC1CCC(C1)CC 11a_100015525214_200009887184 [0,1,0,1,0,0|1,0,0]=3 21259 B14R1.2613 CCNC(=O)CCC1CCC(C1)CC 240690a_100015525214_200009887184 [0,1,0,1,0,0|1,0,0]=3 21260 B14R1.2613 CCNC(=O)CCC1CCC(C1)CC 527a_100015525214_200009887184 [0,1,0,1,0,0|1,0,0]=3 21261 B14R1.2613 CCNC(=O)CNC1CCC(C1)CC 270004a_100016988866_100011218773 [0,1,0,1,0,0|2,0,0]=4 21262 B14R1.2613 CCOC(=O)CCN1CCC(C1)CO 2230a_100000748654_100011206558 [0,1,0,1,0,0|2,0,0]=4 21263 B14R1.2613 CCOC(=O)CCN1CCC(C1)CO 269982a_100000748654_100011206558 [0,1,0,1,0,0|2,0,0]=4 21264 B14R1.2613 CCOC(=O)CCN1CCC(C1)CO 34a_100000748654_100000765890 [0,1,0,1,0,0|2,0,0]=4 21265 B14R1.2613 CCOC(=O)CCN1CC[C@H](C1)OC 2230a_100000766984_100011206558 [0,1,0,1,0,0|2,0,0]=4 21266 B14R1.2613 CCOC(=O)CCN1CC[C@H](C1)OC 269982a_100000766984_100011206558 [0,1,0,1,0,0|2,0,0]=4 21267 B14R1.2613 CCOC(=O)CNC1CCN(C1)CC 2230a_100015188829_100000188475 [0,1,0,1,0,0|2,0,0]=4 21268 B14R1.2613 CCOC(=O)CSC1CCN(C1)CC 62a_100000188475_200011861547 [0,1,0,1,0,0|2,0,0]=4 21269 B14R1.2618 CCOC(=O)CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009991533 [0,1,0,1,0,0|1,0,0]=3 21270 B14R1.2618 CCOC(=O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009991533 [0,1,0,1,0,0|1,0,0]=3 21271 B14R1.2618 CCOC(=O)NCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_200011445536 [0,1,0,1,0,0|2,0,0]=4 21272 B14R1.2620 CCOC(=O)CCCN1CC(C1)CC 2230a_100015205115_100009991533 [0,1,0,1,0,0|1,0,0]=3 21273 B14R1.2620 CCOC(=O)CCCN1CC(C1)CC 269982a_100015205115_100009991533 [0,1,0,1,0,0|1,0,0]=3 21274 B14R1.2620 CCOC(=O)CCCN1CC(C1)CF 269982a_100010363649_100009991533 [0,1,0,1,0,0|2,0,0]=4 21275 B14R1.2620 CCOC(=O)CCCN1CC(C1)CF 34a_100010363649_100009991533 [0,1,0,1,0,0|2,0,0]=4 21276 B14R1.2620 CCOC(=O)CCCN1CC(C1)CO 269982a_100016987283_100009991533 [0,1,0,1,0,0|2,0,0]=4 21277 B14R1.2620 CCOC(=O)CCCN1CC(C1)CO 34a_100016987283_100009991533 [0,1,0,1,0,0|2,0,0]=4 21278 B14R1.2620 CCOC(=O)CCCN1CC(C1)OC 269982a_100000755009_100009991533 [0,1,0,1,0,0|2,0,0]=4 21279 B14R1.2620 CCOC(=O)CCCN1CC(C1)SC 269982a_100016990038_100009991533 [0,1,0,1,0,0|2,0,0]=4 21280 B14R1.2620 CCOC(=O)CCNC1CN(C1)CC 2230a_200015199589_100011206558 [0,1,0,1,0,0|2,0,0]=4 21281 B14R1.2620 CCOC(=O)CCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100011206558 [0,1,0,1,0,0|2,0,0]=4 21282 B14R1.2620 CCOC(=O)CCSC1CC(C1)CO 62a_100000765890_100009874164 [0,1,0,1,0,0|2,0,0]=4 21283 B14R1.2620 CCOC(=O)CCSC1CC(C1)CO 62a_100009874164_100000765890 [0,1,0,1,0,0|2,0,0]=4 21284 B14R1.2620 CCOC(=O)NCCN1CC(C1)CC 269982a_100015205115_200011445536 [0,1,0,1,0,0|2,0,0]=4 21285 B14R1.7178 CCOC(=O)CCCCNC1(CC1)C 2230a_100000757604_100000750268 [0,1,0,1,0,0|1,0,0]=3 21286 B14R1.7178 CCOC(=O)CCCCOC1(CC1)C 7a_100011725673_100000750268 [0,1,0,1,0,0|1,0,0]=3 21287 B14R1.7178 CCOC(=O)CCCNCC1(CC1)C 2230a_100000766693_100009991533 [0,1,0,1,0,0|1,0,0]=3 21288 B14R1.7178 CCOC(=O)CCCNCC1(CC1)O 2230a_100011936951_100009991533 [0,1,0,1,0,0|1,0,0]=3 21289 B14R1.7178 CCOC(=O)CCCOCC1(CC1)C 7a_100000698024_100011215271 [0,1,0,1,0,0|1,0,0]=3 21290 B14R1.7178 CCOC(=O)CCCOCC1(CC1)F 34a_200000703853_100009991533 [0,1,0,1,0,0|1,0,0]=3 21291 B14R1.7178 CCOC(=O)CCCOCC1(CC1)F 7a_200000703853_100011215271 [0,1,0,1,0,0|1,0,0]=3 21292 B14R1.7178 CCOC(=O)CCCSCC1(CO1)C 62a_100000760498_100009991533 [0,1,0,1,0,0|2,0,0]=4 21293 B14R1.7178 CCOC(=O)CCCSCC1(CO1)C 62a_100009991533_100000760498 [0,1,0,1,0,0|2,0,0]=4 21294 B14R1.7178 CCOC(=O)COCCNC1(CC1)C 2230a_100000757604_100000088970 [0,1,0,1,0,0|2,0,0]=4 21295 B14R1.7178 CCOC(=O)COCCOC1(CC1)C 7a_100011725673_100000088970 [0,1,0,1,0,0|2,0,0]=4 21296 B14R1.7178 CCOC(=O)NCCOCC1(CC1)C 7a_100000698024_200011445536 [0,1,0,1,0,0|2,0,0]=4 21297 B14R1.7178 CCOC(=O)NCCOCC1(CC1)F 7a_200000703853_200011445536 [0,1,0,1,0,0|2,0,0]=4 21298 B14R1.7342 CCCC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000747444 [0,1,0,1,0,0|2,0,0]=4 21299 B14R1.7342 CCCC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000747444 [0,1,0,1,0,0|2,0,0]=4 21300 B14R1.7342 CCCC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000747444 [0,1,0,1,0,0|2,0,0]=4 21301 B14R1.7342 CCCC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000747444 [0,1,0,1,0,0|2,0,0]=4 21302 B14R1.7342 CCCC(C)CN1CCNC(=O)CC1 2230a_100000698595_100011216630 [0,1,0,1,0,0|2,0,0]=4 21303 B14R1.7342 CCCC(C)CN1CCNC(=O)CC1 269982a_100000698595_100011216630 [0,1,0,1,0,0|2,0,0]=4 21304 B14R1.7342 CCCC(C)CN1CCNC(=O)CC1 270004a_100000698595_100000243154 [0,1,0,1,0,0|2,0,0]=4 21305 B14R1.7342 CCNC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000183381 [0,1,0,1,0,0|2,0,0]=4 21306 B14R1.7342 CCNC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000183381 [0,1,0,1,0,0|2,0,0]=4 21307 B14R1.7342 CCNC(=O)CN1CCCC(CC1)C 34a_100025706717_100000183381 [0,1,0,1,0,0|2,0,0]=4 21308 B14R1.7342 CCNC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000183381 [0,1,0,1,0,0|2,0,0]=4 21309 B14R1.7342 CCNC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000183381 [0,1,0,1,0,0|2,0,0]=4 21310 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 2230a_100025706717_100000188475 [0,1,0,1,0,0|1,0,0]=3 21311 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 269982a_100025706717_100000188475 [0,1,0,1,0,0|1,0,0]=3 21312 B14R1.7342 CCOC(=O)CN1CCCC(CC1)C 34a_100025706717_100000188475 [0,1,0,1,0,0|1,0,0]=3 21313 B14R1.7342 CCOC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000188475 [0,1,0,1,0,0|1,0,0]=3 21314 B14R1.7342 CCOC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000188475 [0,1,0,1,0,0|1,0,0]=3 21315 B14R1.7342 CCOC(=O)CN1CCCN(CC1)C 2230a_100000211313_100000188475 [0,1,0,1,0,0|2,0,0]=4 21316 B14R1.7342 CCOC(=O)CN1CCCN(CC1)C 269982a_100000211313_100000188475 [0,1,0,1,0,0|2,0,0]=4 21317 B14R1.32 CCCC(=O)CCC1CCCN(C1)C 1458a_100015186358_100000210303 [0,1,0,1,0,0|2,0,0]=4 21318 B14R1.32 CCCC(=O)CCN1CCCC(C1)C 1458a_100000211992_100000766211 [0,1,0,1,0,0|2,0,0]=4 21319 B14R1.32 CCCC(=O)CCN1CCCC(C1)C 1458a_200000177587_100000210303 [0,1,0,1,0,0|2,0,0]=4 21320 B14R1.32 CCCC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000747444 [0,1,0,1,0,0|2,0,0]=4 21321 B14R1.32 CCCC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747444 [0,1,0,1,0,0|2,0,0]=4 21322 B14R1.32 CCCC(=O)NCC1CCCC(C1)O 1626a_100011254705_100000211992 [0,1,0,1,0,0|2,0,0]=4 21323 B14R1.32 CCCC(=O)NCC1CCCC(C1)O 240690a_100011254705_100000211992 [0,1,0,1,0,0|2,0,0]=4 21324 B14R1.32 CCCC(=O)NCC1CCCC(C1)O 527a_100011254705_100000211992 [0,1,0,1,0,0|2,0,0]=4 21325 B14R1.32 CCCC(C)CNC1CCNC(=O)C1 2230a_100016994916_100011216630 [0,1,0,1,0,0|2,0,0]=4 21326 B14R1.32 CCCC(C)CNC1CCNC(=O)C1 34a_100016994916_100011216630 [0,1,0,1,0,0|2,0,0]=4 21327 B14R1.32 CCCC(C)COC1CCCC(=O)C1 34a_100012613340_100011216630 [0,1,0,1,0,0|2,0,0]=4 21328 B14R1.32 CCCC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216630 [0,1,0,1,0,0|2,0,0]=4 21329 B14R1.32 CCCC(C)OCC1CCNC(=O)C1 34a_100009886756_100000766640 [0,1,0,1,0,0|2,0,0]=4 21330 B14R1.32 CCNC(=O)CCC1CCCN(C1)C 11a_100015525214_100015186358 [0,1,0,1,0,0|2,0,0]=4 21331 B14R1.32 CCNC(=O)CCC1CCCN(C1)C 240690a_100015525214_100015186358 [0,1,0,1,0,0|2,0,0]=4 21332 B14R1.32 CCNC(=O)CCC1CCCN(C1)C 527a_100015525214_100015186358 [0,1,0,1,0,0|2,0,0]=4 21333 B14R1.32 CCNC(=O)CCN1CCCC(C1)C 240690a_100015525214_200000177587 [0,1,0,1,0,0|2,0,0]=4 21334 B14R1.32 CCNC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000737597 [0,1,0,1,0,0|2,0,0]=4 21335 B14R1.32 CCNC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000737597 [0,1,0,1,0,0|2,0,0]=4 21336 B14R1.32 CCNC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000737597 [0,1,0,1,0,0|2,0,0]=4 21337 B14R1.32 CCNC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000737597 [0,1,0,1,0,0|2,0,0]=4 21338 B14R1.32 CCNC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100000737597 [0,1,0,1,0,0|2,0,0]=4 21339 B14R1.32 CCNC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000737597 [0,1,0,1,0,0|2,0,0]=4 21340 B14R1.32 CCNC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000183381 [0,1,0,1,0,0|2,0,0]=4 21341 B14R1.32 CCNC(=O)CNC1CCCC(C1)C 270004a_100016988866_100000183594 [0,1,0,1,0,0|2,0,0]=4 21342 B14R1.32 CCNC(=O)CNC1CCCC(C1)C 34a_100011194320_100000183381 [0,1,0,1,0,0|2,0,0]=4 21343 B14R1.32 CCNC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000183381 [0,1,0,1,0,0|2,0,0]=4 21344 B14R1.32 CCNC(=O)CNC1CCCC(C1)O 270004a_100016988866_100012613340 [0,1,0,1,0,0|2,0,0]=4 21345 B14R1.32 CCNC(=O)COC1CCCC(C1)C 34a_100000211399_100000183381 [0,1,0,1,0,0|2,0,0]=4 21346 B14R1.32 CCNC(=O)NCC1CCCC(C1)O 2708a_100011254705_100015525214 [0,1,0,1,0,0|2,0,0]=4 21347 B14R1.32 CCNC(=O)NCC1CCCC(C1)O 2708a_100015525214_100011254705 [0,1,0,1,0,0|2,0,0]=4 21348 B14R1.32 CCNC(=O)NCC1CCCC(C1)O 273464a_100011254705_100015525214 [0,1,0,1,0,0|2,0,0]=4 21349 B14R1.32 CCNC(=O)NCC1CCCC(C1)O 273464a_100015525214_100011254705 [0,1,0,1,0,0|2,0,0]=4 21350 B14R1.32 CCNC(=O)NCC1CCCC(C1)O 512a_100011254705_100015525214 [0,1,0,1,0,0|2,0,0]=4 21351 B14R1.32 CCNC(=O)NCC1CCCC(C1)O 512a_100015525214_100011254705 [0,1,0,1,0,0|2,0,0]=4 21352 B14R1.32 CCOC(=O)CCN1CCCC(C1)F 2230a_100000697950_100011206558 [0,1,0,1,0,0|1,0,0]=3 21353 B14R1.32 CCOC(=O)CCN1CCCC(C1)F 269982a_100000697950_100011206558 [0,1,0,1,0,0|1,0,0]=3 21354 B14R1.32 CCOC(=O)CCN1CCCC(C1)F 34a_100000697950_100000765890 [0,1,0,1,0,0|1,0,0]=3 21355 B14R1.32 CCOC(=O)CCN1CCCC(C1)O 2230a_100000211013_100011206558 [0,1,0,1,0,0|1,0,0]=3 21356 B14R1.32 CCOC(=O)CCN1CCCC(C1)O 269982a_100000211013_100011206558 [0,1,0,1,0,0|1,0,0]=3 21357 B14R1.32 CCOC(=O)CCN1CCC[C@@H](C1)C 2230a_100000717927_100011206558 [0,1,0,1,0,0|1,0,0]=3 21358 B14R1.32 CCOC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100011206558 [0,1,0,1,0,0|1,0,0]=3 21359 B14R1.32 CCOC(=O)CCN1CCC[C@@H](C1)C 34a_100000717927_100000765890 [0,1,0,1,0,0|1,0,0]=3 21360 B14R1.32 CCOC(=O)CCN1CCOC(C1)C 2230a_100000729577_100011206558 [0,1,0,1,0,0|2,0,0]=4 21361 B14R1.32 CCOC(=O)CCN1CCOC(C1)C 269982a_100000729577_100011206558 [0,1,0,1,0,0|2,0,0]=4 21362 B14R1.32 CCOC(=O)CCN1CCOC(C1)C 34a_100000729577_100000765890 [0,1,0,1,0,0|2,0,0]=4 21363 B14R1.32 CCOC(=O)CCN1CCOC(C1)O 2230a_100000688207_100011206558 [0,1,0,1,0,0|2,0,0]=4 21364 B14R1.32 CCOC(=O)CCN1CCOC(C1)O 269982a_100000688207_100011206558 [0,1,0,1,0,0|2,0,0]=4 21365 B14R1.32 CCOC(=O)CNC1CCCC(C1)C 2230a_100011194320_100000188475 [0,1,0,1,0,0|1,0,0]=3 21366 B14R1.32 CCOC(=O)CNC1CCCC(C1)C 34a_100011194320_100000188475 [0,1,0,1,0,0|1,0,0]=3 21367 B14R1.32 CCOC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000188475 [0,1,0,1,0,0|1,0,0]=3 21368 B14R1.32 CCOC(=O)COC1C=C(CCC1)C 34a_100011218613_100000188475 [0,1,0,1,0,0|1,0,1]=4 21369 B14R1.32 CCOC(=O)COC1CCCC(=O)C1 34a_100012613340_100000188475 [0,1,0,1,0,0|1,0,1]=4 21370 B14R1.32 CCOC(=O)COC1CCCC(C1)C 34a_100000211399_100000188475 [0,1,0,1,0,0|1,0,0]=3 21371 B14R1.32 CCOC(=O)COC1CCOC(C1)C 34a_100011986385_100000188475 [0,1,0,1,0,0|2,0,0]=4 21372 B14R1.32 CCOC(=O)COC1CCOC(C1)C 7a_100011986385_100000188475 [0,1,0,1,0,0|2,0,0]=4 21373 B14R1.148 CC(C)CCCCN1CCNC(=O)C1 2230a_100000184651_100011216152 [0,1,0,1,0,0|2,0,0]=4 21374 B14R1.148 CC(C)CCCCN1CCOC(=O)C1 2230a_100000131268_100011216152 [0,1,0,1,0,0|1,0,0]=3 21375 B14R1.148 CC(C)CCCNC1CCNC(=O)C1 2230a_100016994916_100011214892 [0,1,0,1,0,0|2,0,0]=4 21376 B14R1.148 CC(C)CCCNC1CCNC(=O)C1 34a_100016994916_100011214892 [0,1,0,1,0,0|2,0,0]=4 21377 B14R1.148 CC(C)CCCOC1CCCC(=O)C1 34a_100012613340_100011214892 [0,1,0,1,0,0|2,0,0]=4 21378 B14R1.148 CC(C)CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011214892 [0,1,0,1,0,0|2,0,0]=4 21379 B14R1.148 CC(C)CCOCC1CCNC(=O)C1 34a_100009886756_100000210312 [0,1,0,1,0,0|2,0,0]=4 21380 B14R1.148 CC(O)CCCNC1CCNC(=O)C1 2230a_100016994916_200000718107 [0,1,0,1,0,0|2,0,0]=4 21381 B14R1.148 CC(O)CCCNC1CCNC(=O)C1 34a_100016994916_200000718107 [0,1,0,1,0,0|2,0,0]=4 21382 B14R1.148 CC(O)CCCOC1CCCC(=O)C1 34a_100012613340_200000718107 [0,1,0,1,0,0|2,0,0]=4 21383 B14R1.148 CC(O)CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_200000718107 [0,1,0,1,0,0|2,0,0]=4 21384 B14R1.148 CC(O)CCOCC1CCNC(=O)C1 34a_100009886756_100012276601 [0,1,0,1,0,0|2,0,0]=4 21385 B14R1.168 CC(=O)CCCCSC1CCOC1=O 62a_100000211211_100000735457 [0,1,0,1,0,0|1,0,1]=4 21386 B14R1.168 CC(=O)CCCCSC1CCOC1=O 62a_100000735457_100000211211 [0,1,0,1,0,0|1,0,1]=4 21387 B14R1.168 CC(C)CCCCNC1CCNC1=O 2230a_100016995588_100011216152 [0,1,0,1,0,0|2,0,0]=4 21388 B14R1.168 CC(C)CCCCNC1CCNC1=O 34a_100016995588_100011216152 [0,1,0,1,0,0|2,0,0]=4 21389 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_100011214890_100000709159 [0,1,0,1,0,0|2,0,0]=4 21390 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_200000719330_100011216152 [0,1,0,1,0,0|2,0,0]=4 21391 B14R1.168 CC(C)CCCCOC1CCCC1=O 7a_100011214890_100000211823 [0,1,0,1,0,0|2,0,0]=4 21392 B14R1.168 CC(C)CCCCOC1CCOC1=O 34a_100011214890_100000211211 [0,1,0,1,0,0|1,0,0]=3 21393 B14R1.168 CC(C)CCCCOC1CCOC1=O 7a_100011214890_100000211211 [0,1,0,1,0,0|1,0,0]=3 21394 B14R1.168 CC(C)CCCCO[C@H]1CCNC1=O 34a_100000688343_100011216152 [0,1,0,1,0,0|2,0,0]=4 21395 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100000211823_100011216152 [0,1,0,1,0,0|2,0,0]=4 21396 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100011216152_100000211823 [0,1,0,1,0,0|2,0,0]=4 21397 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100000211211_100011216152 [0,1,0,1,0,0|1,0,0]=3 21398 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100011216152_100000211211 [0,1,0,1,0,0|1,0,0]=3 21399 B14R1.168 CC(C)CCCOCC1CCNC1=O 34a_100000133458_100011214892 [0,1,0,1,0,0|2,0,0]=4 21400 B14R1.168 CC(C)CNCCOC1CCOC1=O 34a_100015185251_100000211211 [0,1,0,1,0,0|2,0,0]=4 21401 B14R1.168 CC(C)COCCOC1CCOC1=O 34a_100000703358_100000211211 [0,1,0,1,0,0|2,0,0]=4 21402 B14R1.168 CC(C)COCCOC1CCOC1=O 7a_100000703358_100000211211 [0,1,0,1,0,0|2,0,0]=4 21403 B14R1.168 CC(C)CSCCOC1CCOC1=O 34a_200000230437_100000211211 [0,1,0,1,0,0|2,0,0]=4 21404 B14R1.168 CC(C)CSCCOC1CCOC1=O 7a_200000230437_100000211211 [0,1,0,1,0,0|2,0,0]=4 21405 B14R1.168 CC(C)NCCCOC1CCOC1=O 34a_100000182298_100000211211 [0,1,0,1,0,0|2,0,0]=4 21406 B14R1.168 CC(C)OCCCNC1CCOC1=O 2230a_100000737246_100000211211 [0,1,0,1,0,0|2,0,0]=4 21407 B14R1.168 CC(C)OCCCNC1CCOC1=O 34a_100000737246_100000211211 [0,1,0,1,0,0|2,0,0]=4 21408 B14R1.168 CC(O)CCCOCC1CCNC1=O 34a_100000133458_200000718107 [0,1,0,1,0,0|2,0,0]=4 21409 B14R1.168 CN(C)CCCCSC1CCOC1=O 62a_100000211211_100000690147 [0,1,0,1,0,0|2,0,0]=4 21410 B14R1.602 C=C1CC(C1)CNCCC(=O)OCC 2230a_100102567296_100011206558 [0,1,0,1,0,0|1,0,1]=4 21411 B14R1.602 C=C1CC(C1)CNCCC(=O)OCC 34a_100102567296_100000765890 [0,1,0,1,0,0|1,0,1]=4 21412 B14R1.602 C=C1CC(C1)COCCC(=O)OCC 34a_100011011225_100000765890 [0,1,0,1,0,0|1,0,1]=4 21413 B14R1.602 C=C1CC(C1)NCCCC(=O)OCC 2230a_100132301982_100009991533 [0,1,0,1,0,0|1,0,1]=4 21414 B14R1.602 CCNC(=O)CCNCC1CC(C1)O 2230a_100016992100_100000737597 [0,1,0,1,0,0|2,0,0]=4 21415 B14R1.602 CCOC(=O)CCCCN1CC(C1)C 2230a_100000702820_100000750268 [0,1,0,1,0,0|1,0,0]=3 21416 B14R1.602 CCOC(=O)CCCCN1CC(C1)C 269982a_100000702820_100000750268 [0,1,0,1,0,0|1,0,0]=3 21417 B14R1.602 CCOC(=O)CCCCN1CC(C1)C 34a_100000702820_100000750268 [0,1,0,1,0,0|1,0,0]=3 21418 B14R1.602 CCOC(=O)CCCCN1CC(C1)F 2230a_100000690557_100000750268 [0,1,0,1,0,0|1,0,0]=3 21419 B14R1.602 CCOC(=O)CCCCN1CC(C1)F 269982a_100000690557_100000750268 [0,1,0,1,0,0|1,0,0]=3 21420 B14R1.602 CCOC(=O)CCCCN1CC(C1)F 34a_100000690557_100000750268 [0,1,0,1,0,0|1,0,0]=3 21421 B14R1.602 CCOC(=O)CCCCN1CC(C1)O 269982a_100000749847_100000750268 [0,1,0,1,0,0|1,0,0]=3 21422 B14R1.602 CCOC(=O)CCCNC1CC(C1)F 2230a_100016993743_100009991533 [0,1,0,1,0,0|1,0,0]=3 21423 B14R1.602 CCOC(=O)CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009991533 [0,1,0,1,0,0|1,0,0]=3 21424 B14R1.602 CCOC(=O)CCCSC1CC(=O)C1 62a_100009894365_100009991533 [0,1,0,1,0,0|1,0,1]=4 21425 B14R1.602 CCOC(=O)CCNCC1CC(C1)O 2230a_100016992100_100011206558 [0,1,0,1,0,0|1,0,0]=3 21426 B14R1.602 CCOC(=O)CCOCC1CC(=O)C1 34a_100000101936_100000765890 [0,1,0,1,0,0|1,0,1]=4 21427 B14R1.602 CCOC(=O)CCOCC1CC(C1)Cl 34a_100009874164_100000765890 [0,1,0,1,0,0|1,0,0]=3 21428 B14R1.602 CCOC(=O)CCSCC1CC(=O)C1 62a_100000765890_100009874392 [0,1,0,1,0,0|1,0,1]=4 21429 B14R1.602 CCOC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000765890 [0,1,0,1,0,0|1,0,1]=4 21430 B14R1.602 CCOC(=O)COCCN1CC(C1)C 2230a_100000702820_100000088970 [0,1,0,1,0,0|2,0,0]=4 21431 B14R1.602 CCOC(=O)COCCN1CC(C1)C 269982a_100000702820_100000088970 [0,1,0,1,0,0|2,0,0]=4 21432 B14R1.602 CCOC(=O)COCCN1CC(C1)C 34a_100000702820_100000088970 [0,1,0,1,0,0|2,0,0]=4 21433 B14R1.602 CCOC(=O)COCCN1CC(C1)F 2230a_100000690557_100000088970 [0,1,0,1,0,0|2,0,0]=4 21434 B14R1.602 CCOC(=O)COCCN1CC(C1)F 269982a_100000690557_100000088970 [0,1,0,1,0,0|2,0,0]=4 21435 B14R1.602 CCOC(=O)COCCN1CC(C1)F 34a_100000690557_100000088970 [0,1,0,1,0,0|2,0,0]=4 21436 B14R1.602 CCOC(=O)COCCN1CC(C1)O 269982a_100000749847_100000088970 [0,1,0,1,0,0|2,0,0]=4 21437 B14R1.623 CCCC(=O)C1CCCCN1C(C)C 1458a_100000755935_100000210303 [0,1,0,1,0,0|2,0,0]=4 21438 B14R1.623 CCCC(=O)N1CCCCC1C(C)C 11a_100000757267_100000211992 [0,1,0,1,0,0|2,0,0]=4 21439 B14R1.623 CCCC(=O)N1CCCCC1C(C)C 1626a_100000757267_100000211992 [0,1,0,1,0,0|2,0,0]=4 21440 B14R1.623 CCCC(=O)N1CCCCC1C(C)C 240690a_100000757267_100000211992 [0,1,0,1,0,0|2,0,0]=4 21441 B14R1.623 CCNC(=O)C1CCCCN1C(C)C 240690a_100015525214_100000755935 [0,1,0,1,0,0|2,0,0]=4 21442 B14R1.623 CCNC(=O)C1CCCCN1C(C)C 527a_100015525214_100000755935 [0,1,0,1,0,0|2,0,0]=4 21443 B14R1.623 CCNC(=O)N1CCCCC1C(C)C 2708a_100015525214_100000757267 [0,1,0,1,0,0|2,0,0]=4 21444 B14R1.623 CCNC(=O)N1CCCCC1C(C)C 273464a_100015525214_100000757267 [0,1,0,1,0,0|2,0,0]=4 21445 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 11a_100016990872_100015343762 [0,1,0,1,0,0|1,0,1]=4 21446 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 1626a_100016990872_100015343762 [0,1,0,1,0,0|1,0,1]=4 21447 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 240690a_100016990872_100015343762 [0,1,0,1,0,0|1,0,1]=4 21448 B14R1.623 CCOC(=O)C1CCCCN1C(=O)C 527a_100016990872_100103153847 [0,1,0,1,0,0|1,0,1]=4 21449 B14R1.623 CCOC(=O)C1CCCCN1C(C)C 2230a_100016990872_100000210206 [0,1,0,1,0,0|1,0,0]=3 21450 B14R1.623 CCOC(=O)C1CCCCN1C(C)C 269982a_100016990872_100000210206 [0,1,0,1,0,0|1,0,0]=3 21451 B14R1.623 CCOC(=O)C1CSCCN1C(C)C 2230a_100000735462_100000210206 [0,1,0,1,0,0|2,0,0]=4 21452 B14R1.623 CCOC(=O)C1CSCCN1C(C)C 269982a_100000735462_100000210206 [0,1,0,1,0,0|2,0,0]=4 21453 B14R1.623 CCOC(=O)[C@@H]1COCCN1C(C)C 2230a_100015229691_100000210206 [0,1,0,1,0,0|2,0,0]=4 21454 B14R1.623 CCOC(=O)[C@@H]1COCCN1C(C)C 269982a_100015229691_100000210206 [0,1,0,1,0,0|2,0,0]=4 21455 B14R1.629 C=C(C)CN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000748629 [0,1,0,1,0,0|1,0,1]=4 21456 B14R1.629 C=C(C)CN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000748629 [0,1,0,1,0,0|1,0,1]=4 21457 B14R1.629 CCCC(=O)C1CCCN1CC(C)C 1458a_100000737922_100000210303 [0,1,0,1,0,0|2,0,0]=4 21458 B14R1.629 CCCC(=O)N1CCCC1CC(C)C 11a_100000748429_100000211992 [0,1,0,1,0,0|2,0,0]=4 21459 B14R1.629 CCCC(=O)N1CCCC1CC(C)C 1626a_100000748429_100000211992 [0,1,0,1,0,0|2,0,0]=4 21460 B14R1.629 CCCC(=O)N1CCCC1CC(C)C 240690a_100000748429_100000211992 [0,1,0,1,0,0|2,0,0]=4 21461 B14R1.629 CCCC(=O)N1CCCC1CC(C)C 527a_100000748429_100000211992 [0,1,0,1,0,0|2,0,0]=4 21462 B14R1.629 CCNC(=O)C1CCCN1CC(C)C 240690a_100015525214_100000737922 [0,1,0,1,0,0|2,0,0]=4 21463 B14R1.629 CCNC(=O)N1CCCC1CC(C)C 2708a_100015525214_100000748429 [0,1,0,1,0,0|2,0,0]=4 21464 B14R1.629 CCNC(=O)N1CCCC1CC(C)C 273464a_100015525214_100000748429 [0,1,0,1,0,0|2,0,0]=4 21465 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)C 2230a_100020641767_100000210760 [0,1,0,1,0,0|2,0,0]=4 21466 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)C 269982a_100020641767_100000210624 [0,1,0,1,0,0|2,0,0]=4 21467 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)C 270004a_100020641767_100000210432 [0,1,0,1,0,0|2,0,0]=4 21468 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)C 34a_100020641767_100000210624 [0,1,0,1,0,0|2,0,0]=4 21469 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)O 2230a_100020641767_100011218427 [0,1,0,1,0,0|2,0,0]=4 21470 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)O 269982a_100020641767_100011218427 [0,1,0,1,0,0|2,0,0]=4 21471 B14R1.629 CCNC(=O)[C@@H]1CCCN1CC(C)O 34a_100020641767_100011218427 [0,1,0,1,0,0|2,0,0]=4 21472 B14R1.629 CCNC(=O)[C@@H]1CCCN1C[C@@H](C)O 2230a_100020641767_100009817552 [0,1,0,1,0,0|2,0,0]=4 21473 B14R1.629 CCNC(=O)[C@@H]1CCCN1C[C@@H](C)O 269982a_100020641767_100009817552 [0,1,0,1,0,0|2,0,0]=4 21474 B14R1.629 CCNC(=O)[C@@H]1CCCN1C[C@@H](C)O 34a_100020641767_100009817552 [0,1,0,1,0,0|2,0,0]=4 21475 B14R1.629 CCOC(=O)C1CCCC1NC(=O)C 188690a_200020588403_100015343762 [0,1,0,1,0,0|1,0,1]=4 21476 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(C)C 2230a_100000703725_100000210760 [0,1,0,1,0,0|1,0,0]=3 21477 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(C)C 269982a_100000703725_100000210624 [0,1,0,1,0,0|1,0,0]=3 21478 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(C)C 270004a_100000703725_100000210432 [0,1,0,1,0,0|1,0,0]=3 21479 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(C)O 2230a_100000703725_100011218427 [0,1,0,1,0,0|1,0,0]=3 21480 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(C)O 269982a_100000703725_100011218427 [0,1,0,1,0,0|1,0,0]=3 21481 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(F)F 2230a_100000703725_100011934356 [0,1,0,1,0,0|2,0,0]=4 21482 B14R1.629 CCOC(=O)[C@@H]1CCCN1CC(F)F 269982a_100000703725_100011934356 [0,1,0,1,0,0|2,0,0]=4 21483 B14R1.629 CCOC(=O)[C@@H]1CCCN1C[C@@H](C)O 2230a_100000703725_100009817552 [0,1,0,1,0,0|1,0,0]=3 21484 B14R1.629 CCOC(=O)[C@@H]1CCCN1C[C@@H](C)O 269982a_100000703725_100009817552 [0,1,0,1,0,0|1,0,0]=3 21485 B14R1.629 CCOC(=O)[C@@H]1CCC[C@@H]1OC(C)C 7a_200015395474_100000210206 [0,1,0,1,0,0|1,0,0]=3 21486 B14R1.629 CCOC(=O)[C@@H]1CSCN1CC(C)C 269982a_100016989239_100000210624 [0,1,0,1,0,0|2,0,0]=4 21487 B14R1.629 CCOC(=O)[C@@H]1CSCN1CC(C)C 270004a_100016989239_100000210432 [0,1,0,1,0,0|2,0,0]=4 21488 B14R1.629 CCOC(=O)[C@@H]1CSCN1CC(C)O 269982a_100016989239_100011218427 [0,1,0,1,0,0|2,0,0]=4 21489 B14R1.629 CCOC(=O)[C@@H]1CSCN1C[C@@H](C)O 269982a_100016989239_100009817552 [0,1,0,1,0,0|2,0,0]=4 21490 B14R1.966 CCOC(=O)CN1CCOCC1(C)C 2230a_100000724681_100000188475 [0,1,0,1,0,0|2,0,0]=4 21491 B14R1.966 CCOC(=O)CN1CCOCC1(C)C 269982a_100000724681_100000188475 [0,1,0,1,0,0|2,0,0]=4 21492 B14R1.966 CCOC(=O)CN1CCOCC1(C)C 34a_100000724681_100000188475 [0,1,0,1,0,0|2,0,0]=4 21493 B14R1.968 CCCC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000747444 [0,1,0,1,0,0|2,0,0]=4 21494 B14R1.968 CCCC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000747444 [0,1,0,1,0,0|2,0,0]=4 21495 B14R1.968 CCNC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000183381 [0,1,0,1,0,0|2,0,0]=4 21496 B14R1.968 CCNC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000183381 [0,1,0,1,0,0|2,0,0]=4 21497 B14R1.968 CCNC(=O)CN1CCCC1C(C)C 34a_100000762757_100000183381 [0,1,0,1,0,0|2,0,0]=4 21498 B14R1.968 CCOC(=O)CN1CCCC1C(C)C 2230a_100000762757_100000188475 [0,1,0,1,0,0|1,0,0]=3 21499 B14R1.968 CCOC(=O)CN1CCCC1C(C)C 269982a_100000762757_100000188475 [0,1,0,1,0,0|1,0,0]=3 21500 B14R1.968 CCOC(=O)CN1CCCC1C(C)C 34a_100000762757_100000188475 [0,1,0,1,0,0|1,0,0]=3 21501 B14R1.3311 CCCC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000747444 [0,1,0,1,0,0|2,0,0]=4 21502 B14R1.3311 CCCC(=O)COC1CCCC1(C)C 7a_100000726220_100000747444 [0,1,0,1,0,0|2,0,0]=4 21503 B14R1.3311 CCNC(=O)CCN1CCCC1(C)C 2230a_100000761399_100000737597 [0,1,0,1,0,0|2,0,0]=4 21504 B14R1.3311 CCNC(=O)CCN1CCCC1(C)C 269982a_100000761399_100000737597 [0,1,0,1,0,0|2,0,0]=4 21505 B14R1.3311 CCNC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000183381 [0,1,0,1,0,0|2,0,0]=4 21506 B14R1.3311 CCNC(=O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000183381 [0,1,0,1,0,0|2,0,0]=4 21507 B14R1.3311 CCNC(=O)COC1CCCC1(C)C 34a_100000726220_100000183381 [0,1,0,1,0,0|2,0,0]=4 21508 B14R1.3311 CCNC(=O)COC1CCCC1(C)C 7a_100000726220_100000183381 [0,1,0,1,0,0|2,0,0]=4 21509 B14R1.3311 CCOC(=O)CCN1CCCC1(C)C 2230a_100000761399_100011206558 [0,1,0,1,0,0|1,0,0]=3 21510 B14R1.3311 CCOC(=O)CCN1CCCC1(C)C 269982a_100000761399_100011206558 [0,1,0,1,0,0|1,0,0]=3 21511 B14R1.3311 CCOC(=O)CCN1CCCC1(C)C 34a_100000761399_100000765890 [0,1,0,1,0,0|1,0,0]=3 21512 B14R1.3311 CCOC(=O)CCN1CCSC1(C)C 2230a_100011217261_100011206558 [0,1,0,1,0,0|2,0,0]=4 21513 B14R1.3311 CCOC(=O)CCN1CCSC1(C)C 269982a_100011217261_100011206558 [0,1,0,1,0,0|2,0,0]=4 21514 B14R1.3311 CCOC(=O)CCN1CCSC1(C)C 34a_100011217261_100000765890 [0,1,0,1,0,0|2,0,0]=4 21515 B14R1.3311 CCOC(=O)CCN1COCC1(C)C 2230a_100000043020_100011206558 [0,1,0,1,0,0|2,0,0]=4 21516 B14R1.3311 CCOC(=O)CCN1COCC1(C)C 269982a_100000043020_100011206558 [0,1,0,1,0,0|2,0,0]=4 21517 B14R1.3311 CCOC(=O)CNC1CCCC1(F)F 2230a_100000767123_100000188475 [0,1,0,1,0,0|2,0,0]=4 21518 B14R1.3311 CCOC(=O)CNC1CCCC1(F)F 34a_100000767123_100000188475 [0,1,0,1,0,0|2,0,0]=4 21519 B14R1.3311 CCOC(=O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000188475 [0,1,0,1,0,0|1,0,0]=3 21520 B14R1.3311 CCOC(=O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000188475 [0,1,0,1,0,0|1,0,0]=3 21521 B14R1.3311 CCOC(=O)COC1CCCC1(C)C 34a_100000726220_100000188475 [0,1,0,1,0,0|1,0,0]=3 21522 B14R1.3311 CCOC(=O)COC1CCCC1(C)C 7a_100000726220_100000188475 [0,1,0,1,0,0|1,0,0]=3 21523 B14R1.3311 CCOC(=O)CSC1CCCC1(F)F 62a_100000188475_100119073726 [0,1,0,1,0,0|2,0,0]=4 21524 B14R1.3311 CCOC(=O)CSC1CCCC1(F)F 62a_100119073726_100000188475 [0,1,0,1,0,0|2,0,0]=4 21525 B14R1.4917 CC(C)CCCN1CCNC(=O)CC1 2230a_100000698595_100011214892 [0,1,0,1,0,0|2,0,0]=4 21526 B14R1.4917 CC(C)CCCN1CCNC(=O)CC1 269982a_100000698595_100011214892 [0,1,0,1,0,0|2,0,0]=4 21527 B14R1.4917 CC(O)CCCN1CCNC(=O)CC1 2230a_100000698595_200000718107 [0,1,0,1,0,0|2,0,0]=4 21528 B14R1.4917 CC(O)CCCN1CCNC(=O)CC1 269982a_100000698595_200000718107 [0,1,0,1,0,0|2,0,0]=4 21529 B14R1.6452 CC(C)CCCCCNC(=O)C1CC1 1626a_100011290863_100000210395 [0,1,0,1,0,0|2,0,0]=4 21530 B14R1.6452 CC(C)CCCCCNC(=O)C1CC1 240690a_100011290863_100000210395 [0,1,0,1,0,0|2,0,0]=4 21531 B14R1.6452 CC(C)CCCCCNC(=O)C1CC1 527a_100011290863_100000210395 [0,1,0,1,0,0|2,0,0]=4 21532 B14R1.6452 CC(C)CCCCOCC(=O)C1CC1 34a_100000686663_100011216152 [0,1,0,1,0,0|2,0,0]=4 21533 B14R1.6452 CC(C)CCCCOCC(=O)C1CC1 34a_100011214890_100000746382 [0,1,0,1,0,0|2,0,0]=4 21534 B14R1.6452 CC(C)CCCCOCC(=O)C1CC1 7a_100011214890_100000746382 [0,1,0,1,0,0|2,0,0]=4 21535 B14R1.6452 CC(C)CCCCSCC(=O)C1CC1 62a_100000746382_100011216152 [0,1,0,1,0,0|2,0,0]=4 21536 B14R1.6452 CC(C)CCCCSCC(=O)C1CC1 62a_100011216152_100000746382 [0,1,0,1,0,0|2,0,0]=4 21537 B14R1.7153 CCNC(=O)CCOCC1CC1(C)C 7a_100000728257_100000737597 [0,1,0,1,0,0|2,0,0]=4 21538 B14R1.7153 CCOC(=O)CCCNC1CC1(F)F 2230a_100020610826_100009991533 [0,1,0,1,0,0|2,0,0]=4 21539 B14R1.7153 CCOC(=O)CCCNC1CC1(F)F 34a_100020610826_100009991533 [0,1,0,1,0,0|2,0,0]=4 21540 B14R1.7153 CCOC(=O)CCOCC1CC1(C)C 34a_100000728257_100000765890 [0,1,0,1,0,0|1,0,0]=3 21541 B14R1.7153 CCOC(=O)CCOCC1CC1(C)C 7a_100000728257_100011206558 [0,1,0,1,0,0|1,0,0]=3 21542 B14R1.7153 CCOC(=O)CCOCC1CC1(F)F 34a_100000056500_100000765890 [0,1,0,1,0,0|2,0,0]=4 21543 B14R1.7153 CCOC(=O)CCOCC1CC1(F)F 7a_100000056500_100011206558 [0,1,0,1,0,0|2,0,0]=4 21544 B14R1.7153 CCOC(=O)CCOCC1OC1(C)C 34a_200010283642_100000765890 [0,1,0,1,0,0|2,0,0]=4 21545 B14R1.7153 CCOC(=O)CCOCC1OC1(C)C 7a_200010283642_100011206558 [0,1,0,1,0,0|2,0,0]=4 21546 B14R1.7153 CCOC(=O)CCSCC1CC1(F)F 62a_100000765890_100009817841 [0,1,0,1,0,0|2,0,0]=4 21547 B14R1.7153 CCOC(=O)CCSCC1CC1(F)F 62a_100009817841_100000765890 [0,1,0,1,0,0|2,0,0]=4 21548 B14R1.7153 CCOC(=O)COCCC1CC1(F)F 34a_100009864177_100000188475 [0,1,0,1,0,0|2,0,0]=4 21549 B14R1.7153 CCOC(=O)COCCC1CC1(F)F 7a_100009864177_100000188475 [0,1,0,1,0,0|2,0,0]=4 21550 B14R1.7341 CCCC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000747444 [0,1,0,1,0,0|2,0,0]=4 21551 B14R1.7341 CCCC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000747444 [0,1,0,1,0,0|2,0,0]=4 21552 B14R1.7341 CCNC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000183381 [0,1,0,1,0,0|2,0,0]=4 21553 B14R1.7341 CCNC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000183381 [0,1,0,1,0,0|2,0,0]=4 21554 B14R1.7341 CCOC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000188475 [0,1,0,1,0,0|1,0,0]=3 21555 B14R1.7341 CCOC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000188475 [0,1,0,1,0,0|1,0,0]=3 21556 B14R1.7341 CCOC(=O)CN1CCOC[C@@H](C1)O 2230a_100016073750_100000188475 [0,1,0,1,0,0|2,0,0]=4 21557 B14R1.7341 CCOC(=O)CN1CCOC[C@@H](C1)O 269982a_100016073750_100000188475 [0,1,0,1,0,0|2,0,0]=4 21558 B14R1.34 CCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011215066 [0,1,0,1,0,0|2,0,0]=4 21559 B14R1.34 CCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011215066 [0,1,0,1,0,0|2,0,0]=4 21560 B14R1.34 CCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011215066 [0,1,0,1,0,0|2,0,0]=4 21561 B14R1.34 CCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011215066 [0,1,0,1,0,0|2,0,0]=4 21562 B14R1.766 CCCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210211 [0,1,0,1,0,0|1,0,0]=3 21563 B14R1.766 CCCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210211 [0,1,0,1,0,0|1,0,0]=3 21564 B14R1.766 CCCNC1CCC(C1)C(=O)OCC 270004a_100020643023_100000077466 [0,1,0,1,0,0|1,0,0]=3 21565 B14R1.766 CCOC(=O)C1CCC(C1)NCCO 270004a_100000210304_100000077466 [0,1,0,1,0,0|2,0,0]=4 21566 B14R1.766 CCOC(=O)C1CCN(C1)CCCF 2230a_100016987290_100011934791 [0,1,0,1,0,0|2,0,0]=4 21567 B14R1.766 CCOC(=O)C1CCN(C1)CCCF 269982a_100016987290_100011934791 [0,1,0,1,0,0|2,0,0]=4 21568 B14R1.766 CCOC(=O)C1CCN(C1)CCCO 2230a_100016987290_100000230001 [0,1,0,1,0,0|2,0,0]=4 21569 B14R1.766 CCOC(=O)C1CCN(C1)CCCO 269982a_100016987290_100011215043 [0,1,0,1,0,0|2,0,0]=4 21570 B14R1.766 CCOC(=O)C1CCN(C1)CCOC 2230a_100016987290_100011201679 [0,1,0,1,0,0|2,0,0]=4 21571 B14R1.766 CCOC(=O)C1CCN(C1)CCOC 269982a_100016987290_100000233755 [0,1,0,1,0,0|2,0,0]=4 21572 B14R1.766 CCOC(=O)C1CCN(C1)CCSC 2230a_100016987290_100000751147 [0,1,0,1,0,0|2,0,0]=4 21573 B14R1.766 CCOC(=O)C1CCN(C1)CCSC 269982a_100016987290_100000212216 [0,1,0,1,0,0|2,0,0]=4 21574 B14R1.766 CCOCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000739092 [0,1,0,1,0,0|2,0,0]=4 21575 B14R1.950 CCOC(=O)CN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000188475 [0,1,0,1,0,0|2,0,0]=4 21576 B14R1.950 CCOC(=O)CN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000188475 [0,1,0,1,0,0|2,0,0]=4 21577 B14R1.950 CCOC(=O)CN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000188475 [0,1,0,1,0,0|2,0,0]=4 21578 B14R1.956 CCOC(=O)CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000188475 [0,1,0,1,0,0|2,0,0]=4 21579 B14R1.956 CCOC(=O)CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000188475 [0,1,0,1,0,0|2,0,0]=4 21580 B14R1.956 CCOC(=O)CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000188475 [0,1,0,1,0,0|2,0,0]=4 21581 B14R1.956 CCOC(=O)CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000188475 [0,1,0,1,0,0|2,0,0]=4 21582 B14R1.956 CCOC(=O)CN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000188475 [0,1,0,1,0,0|2,0,0]=4 21583 B14R1.2469 CCCCC(C)N1CCNC(=O)CC1 2230a_100000698595_200011215066 [0,1,0,1,0,0|2,0,0]=4 21584 B14R1.2469 CCCCC(C)N1CCNC(=O)CC1 269982a_100000698595_200011215066 [0,1,0,1,0,0|2,0,0]=4 21585 B14R1.2469 CCCCC(C)N1CCNC(=O)CC1 270004a_100000698595_100000210087 [0,1,0,1,0,0|2,0,0]=4 21586 B14R1.2506 CCCCC(C)COCC(=O)C1CC1 34a_100011995851_100000746382 [0,1,0,1,0,0|2,0,0]=4 21587 B14R1.2506 CCCCC(C)COCC(=O)C1CC1 7a_100011995851_100000746382 [0,1,0,1,0,0|2,0,0]=4 21588 B14R1.2506 CCCC[C@H](N)COCC(=O)C1CC1 34a_100011934283_100000746382 [0,1,0,1,0,0|2,0,0]=4 21589 B14R1.2529 CCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210211 [0,1,0,1,0,0|0,0,1]=3 21590 B14R1.2529 CCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100020643023_100009818562 [0,1,0,1,0,0|1,0,1]=4 21591 B14R1.2529 CCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100020643023_100009818562 [0,1,0,1,0,0|1,0,1]=4 21592 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCF 1458a_100009818562_100011934791 [0,1,0,1,0,0|1,0,1]=4 21593 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCO 1458a_100009818562_100011215043 [0,1,0,1,0,0|1,0,1]=4 21594 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCOC 1458a_100009818562_100000233755 [0,1,0,1,0,0|1,0,1]=4 21595 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCSC 1458a_100009818562_100000751147 [0,1,0,1,0,0|1,0,1]=4 21596 B14R1.2617 CCCC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000747444 [0,1,0,1,0,0|2,0,0]=4 21597 B14R1.2617 CCCC(=O)NCCC1(CCCC1)O 11a_100000719956_100000211992 [0,1,0,1,0,0|2,0,0]=4 21598 B14R1.2617 CCCC(=O)NCCC1(CCCC1)O 1626a_100000719956_100000211992 [0,1,0,1,0,0|2,0,0]=4 21599 B14R1.2617 CCCC(=O)NCCC1(CCCC1)O 240690a_100000719956_100000211992 [0,1,0,1,0,0|2,0,0]=4 21600 B14R1.2617 CCCC(=O)NCCC1(CCCC1)O 527a_100000719956_100000211992 [0,1,0,1,0,0|2,0,0]=4 21601 B14R1.2617 CCNC(=O)CCOC1(CCCC1)C 7a_100000751722_100000737597 [0,1,0,1,0,0|2,0,0]=4 21602 B14R1.2617 CCNC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000183381 [0,1,0,1,0,0|2,0,0]=4 21603 B14R1.2617 CCNC(=O)COCC1(CCCC1)N 34a_100000749328_100000183381 [0,1,0,1,0,0|2,0,0]=4 21604 B14R1.2617 CCNC(=O)NCCC1(CCCC1)O 2708a_100015525214_100000719956 [0,1,0,1,0,0|2,0,0]=4 21605 B14R1.2617 CCNC(=O)NCCC1(CCCC1)O 273464a_100015525214_100000719956 [0,1,0,1,0,0|2,0,0]=4 21606 B14R1.2617 CCNC(=O)NCCC1(CCCC1)O 512a_100000719956_100015525214 [0,1,0,1,0,0|2,0,0]=4 21607 B14R1.2617 CCNC(=O)NCCC1(CCCC1)O 512a_100015525214_100000719956 [0,1,0,1,0,0|2,0,0]=4 21608 B14R1.2617 CCOC(=O)CCNC1(CCOC1)C 2230a_100000693475_100011206558 [0,1,0,1,0,0|2,0,0]=4 21609 B14R1.2617 CCOC(=O)CCOC1(CCCC1)C 34a_100000751722_100000765890 [0,1,0,1,0,0|1,0,0]=3 21610 B14R1.2617 CCOC(=O)CCOC1(CCCC1)C 7a_100000751722_100011206558 [0,1,0,1,0,0|1,0,0]=3 21611 B14R1.2617 CCOC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000188475 [0,1,0,1,0,0|1,0,0]=3 21612 B14R1.2617 CCOC(=O)COCC1(CCCC1)N 34a_100000749328_100000188475 [0,1,0,1,0,0|1,0,0]=3 21613 B14R1.2617 CCOC(=O)COC[C@@]1(CCCN1)C 34a_100016195882_100000188475 [0,1,0,1,0,0|2,0,0]=4 21614 B14R1.7174 CCNC(=O)CCCC(=O)C1CCC1 1458a_100000199580_100000749161 [0,1,0,1,0,0|1,0,1]=4 21615 B14R1.7174 CCNC(=O)CCNC(C)C1CCC1 2230a_100016994624_100000737597 [0,1,0,1,0,0|2,0,0]=4 21616 B14R1.7174 CCNC(=O)CCNC(C)C1CCC1 269862a_100025743525_100000760154 [0,1,0,1,0,0|2,0,0]=4 21617 B14R1.7174 CCNC(=O)CCOC(C)C1CCC1 7a_100000766398_100000737597 [0,1,0,1,0,0|2,0,0]=4 21618 B14R1.7174 CCOC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215271 [0,1,0,1,0,0|0,0,1]=3 21619 B14R1.7174 CCOC(=O)CCCC(=O)C1CCC1 1458a_100000210991_100000749161 [0,1,0,1,0,0|0,0,1]=3 21620 B14R1.7174 CCOC(=O)CCCC(=O)C1CCO1 1458a_100000089072_100011215271 [0,1,0,1,0,0|1,0,1]=4 21621 B14R1.7174 CCOC(=O)CCCC(=O)C1COC1 1458a_100000210991_100000687716 [0,1,0,1,0,0|1,0,1]=4 21622 B14R1.7174 CCOC(=O)CCCC(=O)C1COC1 1458a_100000758290_100011215271 [0,1,0,1,0,0|1,0,1]=4 21623 B14R1.7174 CCOC(=O)CCCC(=O)N1CCC1 11a_100000754969_100000210991 [0,1,0,1,0,0|1,0,1]=4 21624 B14R1.7174 CCOC(=O)CCCC(=O)N1CCC1 240690a_100000754969_100000210991 [0,1,0,1,0,0|1,0,1]=4 21625 B14R1.7174 CCOC(=O)CCCC(=O)N1CCC1 527a_100000754969_100000210991 [0,1,0,1,0,0|1,0,1]=4 21626 B14R1.7174 CCOC(=O)CCCN(C)C1CCC1 2230a_100000758072_100009991533 [0,1,0,1,0,0|1,0,0]=3 21627 B14R1.7174 CCOC(=O)CCCN(C)C1CCC1 269982a_100000758072_100009991533 [0,1,0,1,0,0|1,0,0]=3 21628 B14R1.7174 CCOC(=O)CCCN(C)C1CCC1 34a_100000758072_100009991533 [0,1,0,1,0,0|1,0,0]=3 21629 B14R1.7174 CCOC(=O)CCCN(C)C1COC1 2230a_100102693430_100009991533 [0,1,0,1,0,0|2,0,0]=4 21630 B14R1.7174 CCOC(=O)CCCN(C)C1COC1 269982a_100102693430_100009991533 [0,1,0,1,0,0|2,0,0]=4 21631 B14R1.7174 CCOC(=O)CCNC(=O)C1CCC1 188690a_100000746078_100000209988 [0,1,0,1,0,0|1,0,1]=4 21632 B14R1.7174 CCOC(=O)CCNC(C)C1CCC1 2230a_100016994624_100011206558 [0,1,0,1,0,0|1,0,0]=3 21633 B14R1.7174 CCOC(=O)CCNC(C)C1CCC1 34a_100016994624_100000765890 [0,1,0,1,0,0|1,0,0]=3 21634 B14R1.7174 CCOC(=O)CCOC(C)C1CCC1 34a_100000766398_100000765890 [0,1,0,1,0,0|1,0,0]=3 21635 B14R1.7174 CCOC(=O)CCOC(C)C1CCC1 7a_100000766398_100011206558 [0,1,0,1,0,0|1,0,0]=3 21636 B14R1.7174 CCOC(=O)COC[C@@H](N)C1COC1 34a_217856628679_100000188475 [0,1,0,1,0,0|2,0,0]=4 21637 B14R1.7174 CCOC(=O)CSCC(=O)C1CCC1 62a_100000188475_100000686122 [0,1,0,1,0,0|1,0,1]=4 21638 B14R1.7174 CCOC(=O)CSCC(=O)C1CCC1 62a_100000686122_100000188475 [0,1,0,1,0,0|1,0,1]=4 21639 B14R1.7174 CCOC(=O)NCCC(=O)C1CCC1 1458a_100000209988_200011445536 [0,1,0,1,0,0|1,0,1]=4 21640 B14R1.7174 CCOC(=O)NCCN(C)C1CCC1 269982a_100000758072_200011445536 [0,1,0,1,0,0|2,0,0]=4 21641 B14R1.7176 CCNC(=O)CCCC(=O)CC1CC1 1458a_100000199580_100000742324 [0,1,0,1,0,0|1,0,1]=4 21642 B14R1.7176 CCNC(=O)CCNC(C)CC1CC1 270004a_100025743525_200000686933 [0,1,0,1,0,0|2,0,0]=4 21643 B14R1.7176 CCOC(=O)CCCC(=O)CC1CC1 1458a_100000210991_100000742324 [0,1,0,1,0,0|0,0,1]=3 21644 B14R1.7176 CCOC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215271 [0,1,0,1,0,0|0,0,1]=3 21645 B14R1.7176 CCOC(=O)CCCC(=O)CC1CO1 1458a_100000210991_100011216344 [0,1,0,1,0,0|1,0,1]=4 21646 B14R1.7176 CCOC(=O)CCCC(=O)CC1CS1 1458a_100000210991_100000031435 [0,1,0,1,0,0|1,0,1]=4 21647 B14R1.7176 CCOC(=O)CCCC(=O)C[C@@H]1CO1 1458a_100000210991_100000745022 [0,1,0,1,0,0|1,0,1]=4 21648 B14R1.7176 CCOC(=O)CCCC(=O)NC1CC1 1626a_100000212008_100000210991 [0,1,0,1,0,0|1,0,1]=4 21649 B14R1.7176 CCOC(=O)CCCC(=O)NC1CC1 240690a_100000212008_100000210991 [0,1,0,1,0,0|1,0,1]=4 21650 B14R1.7176 CCOC(=O)CCCC(=O)NC1CC1 527a_100000212008_100000210991 [0,1,0,1,0,0|1,0,1]=4 21651 B14R1.7176 CCOC(=O)CCCN(C)CC1CC1 2230a_100000741881_100009991533 [0,1,0,1,0,0|1,0,0]=3 21652 B14R1.7176 CCOC(=O)CCCN(C)CC1CC1 269982a_100000741881_100009991533 [0,1,0,1,0,0|1,0,0]=3 21653 B14R1.7176 CCOC(=O)CCNC(=O)CC1CC1 188690a_100000746078_100000738066 [0,1,0,1,0,0|1,0,1]=4 21654 B14R1.7176 CCOC(=O)NCCC(=O)CC1CC1 1458a_100000738066_200011445536 [0,1,0,1,0,0|1,0,1]=4 21655 B14R1.7176 CCOC(=O)NCCN(C)CC1CC1 269982a_100000741881_200011445536 [0,1,0,1,0,0|2,0,0]=4 21656 B14R1.7503 CCCOC1CC(C1)CC(=O)OCC 7a_100010742785_100000210303 [0,1,0,1,0,0|1,0,0]=3 21657 B14R1.7503 CCCOC1CN(C1)CC(=O)OCC 269982a_200020626125_100000188475 [0,1,0,1,0,0|2,0,0]=4 21658 B14R1.7503 CCCOC1CN(C1)CC(=O)OCC 34a_200020626125_100000188475 [0,1,0,1,0,0|2,0,0]=4 21659 B14R1.7503 CCOC(=O)CC1CC(C1)OCCF 7a_100010742785_100011217306 [0,1,0,1,0,0|2,0,0]=4 21660 B14R1.7503 CCOC(=O)CC1CC(C1)OCCO 7a_100010742785_100000211926 [0,1,0,1,0,0|2,0,0]=4 21661 B14R1.18023 CCNC(=O)CCN1C(CCC1C)C 2230a_100000687148_100000737597 [0,1,0,1,0,0|2,0,0]=4 21662 B14R1.18023 CCNC(=O)CCN1C(CCC1C)C 269982a_100000687148_100000737597 [0,1,0,1,0,0|2,0,0]=4 21663 B14R1.18023 CCOC(=O)CCN1C(CCC1C)C 2230a_100000687148_100011206558 [0,1,0,1,0,0|1,0,0]=3 21664 B14R1.18023 CCOC(=O)CCN1C(CCC1C)C 269982a_100000687148_100011206558 [0,1,0,1,0,0|1,0,0]=3 21665 B14R1.18023 CCOC(=O)CCN1C(CCC1C)C 34a_100000687148_100000765890 [0,1,0,1,0,0|1,0,0]=3 21666 B14R1.19202 CCOC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215271 [0,1,0,1,0,0|0,0,1]=3 21667 B14R1.19202 CCOC(=O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215271 [0,1,0,1,0,0|1,0,1]=4 21668 B14R1.19202 CCOC(=O)CCNC(=O)C1CC1C 188690a_100000746078_100000211227 [0,1,0,1,0,0|1,0,1]=4 21669 B14R1.19202 CCOC(=O)NCCC(=O)C1CC1C 1458a_100000211227_200011445536 [0,1,0,1,0,0|1,0,1]=4 21670 B14R1.20 CCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210326 [0,1,0,1,0,0|1,0,1]=4 21671 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000212188 [0,1,0,1,0,0|1,0,1]=4 21672 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000212188 [0,1,0,1,0,0|1,0,1]=4 21673 B14R1.20 CCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000212188 [0,1,0,1,0,0|1,0,1]=4 21674 B14R1.20 CCCCCC(C)N1CCNC(=O)C1 2230a_100000184651_200011218191 [0,1,0,1,0,0|2,0,0]=4 21675 B14R1.20 CCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211708 [0,1,0,1,0,0|2,0,0]=4 21676 B14R1.20 CCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011218191 [0,1,0,1,0,0|1,0,0]=3 21677 B14R1.20 CCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211708 [0,1,0,1,0,0|1,0,0]=3 21678 B14R1.20 CCCSCC(C)N1CCOC(=O)C1 270004a_100000131268_100011343953 [0,1,0,1,0,0|2,0,0]=4 21679 B14R1.20 CCOCCC(C)N1CCOC(=O)C1 270004a_100000131268_200011216536 [0,1,0,1,0,0|2,0,0]=4 21680 B14R1.20 CSCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100011399439 [0,1,0,1,0,0|2,0,0]=4 21681 B14R1.100 CCCC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000747444 [0,1,0,1,0,0|2,0,0]=4 21682 B14R1.100 CCCC(=O)COC(C)C1CCCC1 7a_100011216366_100000747444 [0,1,0,1,0,0|2,0,0]=4 21683 B14R1.100 CCNC(=O)CCC(=O)C1CCCC1 1458a_100000199579_100000179811 [0,1,0,1,0,0|1,0,1]=4 21684 B14R1.100 CCNC(=O)CCN(C)C1CCCC1 2230a_100000207505_100000737597 [0,1,0,1,0,0|2,0,0]=4 21685 B14R1.100 CCNC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000737597 [0,1,0,1,0,0|2,0,0]=4 21686 B14R1.100 CCNC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000183381 [0,1,0,1,0,0|2,0,0]=4 21687 B14R1.100 CCNC(=O)CNC(C)C1CCCC1 270004a_100016988866_100000749594 [0,1,0,1,0,0|2,0,0]=4 21688 B14R1.100 CCNC(=O)CNC(C)C1CCCC1 34a_100015185923_100000183381 [0,1,0,1,0,0|2,0,0]=4 21689 B14R1.100 CCNC(=O)COC(C)C1CCCC1 34a_100011216366_100000183381 [0,1,0,1,0,0|2,0,0]=4 21690 B14R1.100 CCNC(=O)COC(C)C1CCCC1 7a_100011216366_100000183381 [0,1,0,1,0,0|2,0,0]=4 21691 B14R1.100 CCOC(=O)CCC(=O)C1CCCC1 1458a_100000183558_100000179811 [0,1,0,1,0,0|0,0,1]=3 21692 B14R1.100 CCOC(=O)CCC(=O)C1CCOC1 1458a_100000183558_100000690089 [0,1,0,1,0,0|1,0,1]=4 21693 B14R1.100 CCOC(=O)CCC(=O)N1CCCC1 240690a_100000188435_100000183558 [0,1,0,1,0,0|1,0,1]=4 21694 B14R1.100 CCOC(=O)CCC(C)N1CCCC1 2230a_100000188435_100000748298 [0,1,0,1,0,0|1,0,0]=3 21695 B14R1.100 CCOC(=O)CCC(C)N1CCCC1 269982a_100000188435_100000748298 [0,1,0,1,0,0|1,0,0]=3 21696 B14R1.100 CCOC(=O)CCC(C)N1CCSC1 2230a_100011215254_100000748298 [0,1,0,1,0,0|2,0,0]=4 21697 B14R1.100 CCOC(=O)CCC(C)N1CCSC1 269982a_100011215254_100000748298 [0,1,0,1,0,0|2,0,0]=4 21698 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 2230a_100000207505_100011206558 [0,1,0,1,0,0|1,0,0]=3 21699 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 2230a_100000745921_100000179811 [0,1,0,1,0,0|1,0,0]=3 21700 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 269982a_100000207505_100011206558 [0,1,0,1,0,0|1,0,0]=3 21701 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 269982a_100000745921_100000179811 [0,1,0,1,0,0|1,0,0]=3 21702 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 269982a_200103153152_200000210301 [0,1,0,1,0,0|1,0,0]=3 21703 B14R1.100 CCOC(=O)CCN(C)C1CCCC1 34a_100000207505_100000765890 [0,1,0,1,0,0|1,0,0]=3 21704 B14R1.100 CCOC(=O)CCN(C)C1CCOC1 2230a_100000745921_100000731011 [0,1,0,1,0,0|2,0,0]=4 21705 B14R1.100 CCOC(=O)CCN(C)C1CCOC1 2230a_100016988252_100011206558 [0,1,0,1,0,0|2,0,0]=4 21706 B14R1.100 CCOC(=O)CCN(C)C1CCOC1 269982a_100000745921_100000731011 [0,1,0,1,0,0|2,0,0]=4 21707 B14R1.100 CCOC(=O)CCN(C)C1CCOC1 269982a_100016988252_100011206558 [0,1,0,1,0,0|2,0,0]=4 21708 B14R1.100 CCOC(=O)CCN(C)C1CCOC1 34a_100016988252_100000765890 [0,1,0,1,0,0|2,0,0]=4 21709 B14R1.100 CCOC(=O)CCN([13CH3])C1CCCC1 269982a_200103153152_200025704644 [0,1,0,1,0,0|1,0,0]=3 21710 B14R1.100 CCOC(=O)CNC(=O)C1CCCC1 188690a_100000741813_100000210718 [0,1,0,1,0,0|1,0,1]=4 21711 B14R1.100 CCOC(=O)CNC(C)C1CCCC1 2230a_100015185923_100000188475 [0,1,0,1,0,0|1,0,0]=3 21712 B14R1.100 CCOC(=O)CNC(C)C1CCCC1 34a_100015185923_100000188475 [0,1,0,1,0,0|1,0,0]=3 21713 B14R1.100 CCOC(=O)CNC(C)C1CCCO1 2230a_100025754208_100000188475 [0,1,0,1,0,0|2,0,0]=4 21714 B14R1.100 CCOC(=O)CNC(C)C1CCCO1 34a_100025754208_100000188475 [0,1,0,1,0,0|2,0,0]=4 21715 B14R1.100 CCOC(=O)COC(C)C1CCCC1 34a_100011216366_100000188475 [0,1,0,1,0,0|1,0,0]=3 21716 B14R1.100 CCOC(=O)COC(C)C1CCCC1 7a_100011216366_100000188475 [0,1,0,1,0,0|1,0,0]=3 21717 B14R1.100 CCOC(=O)NCC(=O)C1CCCC1 1458a_100000190774_100000179811 [0,1,0,1,0,0|1,0,1]=4 21718 B14R1.465 CCCCCC1CCC(CC1)OCC 34a_100000066488_100000210202 [0,1,0,1,0,0|1,0,1]=4 21719 B14R1.465 CCCCCC1CCC(CC1)OCC 7a_100000066488_100000210202 [0,1,0,1,0,0|1,0,1]=4 21720 B14R1.599 CCOC(=O)[C@@H]1C[C@H](CCN1CC)C 2230a_200015568886_100000210202 [0,1,0,1,0,0|1,0,0]=3 21721 B14R1.599 CCOC(=O)[C@@H]1C[C@H](CCN1CC)C 269982a_200015568886_100000204670 [0,1,0,1,0,0|1,0,0]=3 21722 B14R1.599 CCOC(=O)[C@@H]1C[C@H](CCN1CF)C 269982a_200015568886_100015361967 [0,1,0,1,0,0|2,0,0]=4 21723 B14R1.1047 CCCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210326 [0,1,0,1,0,0|1,0,1]=4 21724 B14R1.1047 CCCCCC(C)NC1CCCC1=O 2230a_100000211957_100000211823 [0,1,0,1,0,0|2,0,0]=4 21725 B14R1.1047 CCCCCC(C)NC1CCNC1=O 2230a_100016995588_200011218191 [0,1,0,1,0,0|2,0,0]=4 21726 B14R1.1047 CCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000211708 [0,1,0,1,0,0|2,0,0]=4 21727 B14R1.1047 CCCCCC(C)NC1CCNC1=O 34a_100016995588_200011218191 [0,1,0,1,0,0|2,0,0]=4 21728 B14R1.1047 CCCCCC(C)NC1CCOC1=O 2230a_100000211957_100000211211 [0,1,0,1,0,0|1,0,0]=3 21729 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_100011215632_100000709159 [0,1,0,1,0,0|2,0,0]=4 21730 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_200000719330_200011218191 [0,1,0,1,0,0|2,0,0]=4 21731 B14R1.1047 CCCCCC(C)OC1CCCC1=O 7a_100011215632_100000211823 [0,1,0,1,0,0|2,0,0]=4 21732 B14R1.1047 CCCCCC(C)OC1CCOC1=O 34a_100011215632_100000211211 [0,1,0,1,0,0|1,0,0]=3 21733 B14R1.1047 CCCCCC(C)OC1CCOC1=O 7a_100011215632_100000211211 [0,1,0,1,0,0|1,0,0]=3 21734 B14R1.1047 CCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011218191 [0,1,0,1,0,0|2,0,0]=4 21735 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_100000211823_200011218191 [0,1,0,1,0,0|2,0,0]=4 21736 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_200011218191_100000211823 [0,1,0,1,0,0|2,0,0]=4 21737 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_100000211211_200011218191 [0,1,0,1,0,0|1,0,0]=3 21738 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_200011218191_100000211211 [0,1,0,1,0,0|1,0,0]=3 21739 B14R1.1047 COCCCC(C)OC1CCOC1=O 34a_200011539412_100000211211 [0,1,0,1,0,0|2,0,0]=4 21740 B14R1.1047 COCCCC(C)OC1CCOC1=O 7a_200011539412_100000211211 [0,1,0,1,0,0|2,0,0]=4 21741 B14R1.1423 CCCCCC(C)NCC(=O)C1CC1 2230a_100000211957_100000746382 [0,1,0,1,0,0|2,0,0]=4 21742 B14R1.1423 CCCCCC(C)OCC(=O)C1CC1 34a_100000686663_200011218191 [0,1,0,1,0,0|2,0,0]=4 21743 B14R1.1423 CCCCCC(C)OCC(=O)C1CC1 34a_100011215632_100000746382 [0,1,0,1,0,0|2,0,0]=4 21744 B14R1.1423 CCCCCC(C)OCC(=O)C1CC1 7a_100011215632_100000746382 [0,1,0,1,0,0|2,0,0]=4 21745 B14R1.1423 CCCCCC(C)SCC(=O)C1CC1 62a_100000746382_200011218191 [0,1,0,1,0,0|2,0,0]=4 21746 B14R1.1423 CCCCCC(C)SCC(=O)C1CC1 62a_200011218191_100000746382 [0,1,0,1,0,0|2,0,0]=4 21747 B14R1.3263 CCCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210215 [0,1,0,1,0,0|1,0,0]=3 21748 B14R1.3263 CCCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210211 [0,1,0,1,0,0|1,0,0]=3 21749 B14R1.3263 CCOC(=O)C1CC(C1)OCCCF 7a_100000093532_100011934791 [0,1,0,1,0,0|2,0,0]=4 21750 B14R1.3263 CCOC(=O)C1CC(C1)OCCCO 7a_100000093532_100011215043 [0,1,0,1,0,0|2,0,0]=4 21751 B14R1.3263 CCOC(=O)C1CC(C1)OCCOC 7a_100000093532_100000233755 [0,1,0,1,0,0|2,0,0]=4 21752 B14R1.3263 CCOC(=O)C1CC(C1)OCCSC 7a_100000093532_100000212216 [0,1,0,1,0,0|2,0,0]=4 21753 B14R1.3263 CCOC(=O)C1CN(C1)CCCCF 269982a_100015188541_100000729493 [0,1,0,1,0,0|2,0,0]=4 21754 B14R1.3263 CCOC(=O)C1CN(C1)CCCCO 269982a_100015188541_100000210776 [0,1,0,1,0,0|2,0,0]=4 21755 B14R1.3263 CCOC(=O)C1CN(C1)CCCOC 269982a_100015188541_100000740836 [0,1,0,1,0,0|2,0,0]=4 21756 B14R1.3263 CCOC(=O)C1CN(C1)CCSCC 269982a_100015188541_100000757381 [0,1,0,1,0,0|2,0,0]=4 21757 B14R1.3263 CCOCCN1CC(C1)C(=O)OCC 269982a_100015188541_100011215890 [0,1,0,1,0,0|2,0,0]=4 21758 B14R1.3707 CCOC(=O)CNC(=O)C1CC1CC 188690a_100000741813_200011661523 [0,1,0,1,0,0|1,0,1]=4 21759 B14R1.3708 CCOC(=O)CCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000748298 [0,1,0,1,0,0|2,0,0]=4 21760 B14R1.3708 CCOC(=O)CCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000748298 [0,1,0,1,0,0|2,0,0]=4 21761 B14R1.3708 CCOC(=O)CCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100000748298 [0,1,0,1,0,0|2,0,0]=4 21762 B14R1.3709 CCNC(=O)CCC(=O)CC1CCC1 1458a_100000199579_100000763275 [0,1,0,1,0,0|1,0,1]=4 21763 B14R1.3709 CCNC(=O)CCN(C)CC1CCC1 2230a_200000750244_100000737597 [0,1,0,1,0,0|2,0,0]=4 21764 B14R1.3709 CCNC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000737597 [0,1,0,1,0,0|2,0,0]=4 21765 B14R1.3709 CCOC(=O)CCC(=O)CC1CCC1 1458a_100000183558_100000763275 [0,1,0,1,0,0|0,0,1]=3 21766 B14R1.3709 CCOC(=O)CCC(=O)CC1CCO1 1458a_100000183558_100000103362 [0,1,0,1,0,0|1,0,1]=4 21767 B14R1.3709 CCOC(=O)CCC(=O)CC1COC1 1458a_100000183558_100010264016 [0,1,0,1,0,0|1,0,1]=4 21768 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 11a_100000749019_100000183558 [0,1,0,1,0,0|1,0,1]=4 21769 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 1626a_100000749019_100000183558 [0,1,0,1,0,0|1,0,1]=4 21770 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 240690a_100000749019_100000183558 [0,1,0,1,0,0|1,0,1]=4 21771 B14R1.3709 CCOC(=O)CCC(C)NC1CCC1 2230a_100000749019_100000748298 [0,1,0,1,0,0|1,0,0]=3 21772 B14R1.3709 CCOC(=O)CCC(C)NC1CCC1 34a_100000749019_100000748298 [0,1,0,1,0,0|1,0,0]=3 21773 B14R1.3709 CCOC(=O)CCC(C)NC1COC1 2230a_100016991112_100000748298 [0,1,0,1,0,0|2,0,0]=4 21774 B14R1.3709 CCOC(=O)CCC(C)OC1CCC1 34a_100000748187_100000748298 [0,1,0,1,0,0|1,0,0]=3 21775 B14R1.3709 CCOC(=O)CCC(C)OC1CSC1 7a_100000072292_100000748298 [0,1,0,1,0,0|2,0,0]=4 21776 B14R1.3709 CCOC(=O)CCC(C)SC1CCC1 62a_100000748298_100000749161 [0,1,0,1,0,0|1,0,0]=3 21777 B14R1.3709 CCOC(=O)CCC(C)SC1COC1 62a_100000748298_100009818527 [0,1,0,1,0,0|2,0,0]=4 21778 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 2230a_100000745921_100000763275 [0,1,0,1,0,0|1,0,0]=3 21779 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 2230a_200000750244_100011206558 [0,1,0,1,0,0|1,0,0]=3 21780 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 269982a_100000745921_100000763275 [0,1,0,1,0,0|1,0,0]=3 21781 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 269982a_200000750244_100011206558 [0,1,0,1,0,0|1,0,0]=3 21782 B14R1.3709 CCOC(=O)CCN(C)CC1CCC1 34a_200000750244_100000765890 [0,1,0,1,0,0|1,0,0]=3 21783 B14R1.3709 CCOC(=O)CCN(C)CC1CCO1 2230a_100000745921_100000103362 [0,1,0,1,0,0|2,0,0]=4 21784 B14R1.3709 CCOC(=O)CCN(C)CC1CCO1 269982a_100000745921_100000103362 [0,1,0,1,0,0|2,0,0]=4 21785 B14R1.3709 CCOC(=O)CCN(C)CC1COC1 2230a_100000745921_100010264016 [0,1,0,1,0,0|2,0,0]=4 21786 B14R1.3709 CCOC(=O)CCN(C)CC1COC1 269982a_100000745921_100010264016 [0,1,0,1,0,0|2,0,0]=4 21787 B14R1.3709 CCOC(=O)CNC(=O)CC1CCC1 188690a_100000741813_100000763092 [0,1,0,1,0,0|1,0,1]=4 21788 B14R1.3709 CCOC(=O)NCC(=O)CC1CCC1 1458a_100000190774_100000763275 [0,1,0,1,0,0|1,0,1]=4 21789 B14R1.3710 CCNC(=O)CCC(=O)CCC1CC1 1458a_100000199579_100000694398 [0,1,0,1,0,0|1,0,1]=4 21790 B14R1.3710 CCOC(=O)CCC(=O)CCC1CC1 1458a_100000183558_100000694398 [0,1,0,1,0,0|0,0,1]=3 21791 B14R1.3710 CCOC(=O)CCC(=O)CCC1CO1 1458a_100000183558_100000732470 [0,1,0,1,0,0|1,0,1]=4 21792 B14R1.3710 CCOC(=O)CCC(=O)NCC1CC1 11a_100000735609_100000183558 [0,1,0,1,0,0|1,0,1]=4 21793 B14R1.3710 CCOC(=O)CCC(=O)NCC1CC1 1626a_100000735609_100000183558 [0,1,0,1,0,0|1,0,1]=4 21794 B14R1.3710 CCOC(=O)CCC(=O)NCC1CC1 240690a_100000735609_100000183558 [0,1,0,1,0,0|1,0,1]=4 21795 B14R1.3710 CCOC(=O)CCC(C)NCC1CC1 2230a_100000735609_100000748298 [0,1,0,1,0,0|1,0,0]=3 21796 B14R1.3710 CCOC(=O)CCC(C)NCC1CC1 34a_100000735609_100000748298 [0,1,0,1,0,0|1,0,0]=3 21797 B14R1.3710 CCOC(=O)CCC(C)OCC1CC1 34a_100000211283_100000748298 [0,1,0,1,0,0|1,0,0]=3 21798 B14R1.3710 CCOC(=O)CCC(C)OC[C@@H]1CO1 34a_100000757423_100000748298 [0,1,0,1,0,0|2,0,0]=4 21799 B14R1.3710 CCOC(=O)CCC(C)SCC1CC1 62a_100000748298_100000742324 [0,1,0,1,0,0|1,0,0]=3 21800 B14R1.3710 CCOC(=O)CCC(C)SCC1CC1 62a_100000756562_100000748298 [0,1,0,1,0,0|1,0,0]=3 21801 B14R1.3710 CCOC(=O)CCC(C)SCC1CO1 62a_100000748298_102125554688 [0,1,0,1,0,0|2,0,0]=4 21802 B14R1.3710 CCOC(=O)CCC(C)SCC1CO1 62a_102125554688_100000748298 [0,1,0,1,0,0|2,0,0]=4 21803 B14R1.3710 CCOC(=O)CCC(C)SCC1CS1 62a_100000031435_100000748298 [0,1,0,1,0,0|2,0,0]=4 21804 B14R1.3710 CCOC(=O)CCC(C)SCC1CS1 62a_100000748298_100000031435 [0,1,0,1,0,0|2,0,0]=4 21805 B14R1.3710 CCOC(=O)CCC(C)SC[C@@H]1CO1 62a_100000745022_100000748298 [0,1,0,1,0,0|2,0,0]=4 21806 B14R1.3710 CCOC(=O)CCC(C)SC[C@@H]1CO1 62a_100000748298_100000745022 [0,1,0,1,0,0|2,0,0]=4 21807 B14R1.3710 CCOC(=O)CCN(C)CCC1CC1 2230a_100000745921_100000694398 [0,1,0,1,0,0|1,0,0]=3 21808 B14R1.3710 CCOC(=O)CCN(C)CCC1CC1 269982a_100000745921_100000694398 [0,1,0,1,0,0|1,0,0]=3 21809 B14R1.3710 CCOC(=O)CCN(C)CCC1CO1 2230a_100000745921_100000732470 [0,1,0,1,0,0|2,0,0]=4 21810 B14R1.3710 CCOC(=O)CCN(C)CCC1CO1 269982a_100000745921_100000732470 [0,1,0,1,0,0|2,0,0]=4 21811 B14R1.3710 CCOC(=O)CNC(=O)CCC1CC1 188690a_100000741813_100000756386 [0,1,0,1,0,0|1,0,1]=4 21812 B14R1.3710 CCOC(=O)NCC(=O)CCC1CC1 1458a_100000190774_100000694398 [0,1,0,1,0,0|1,0,1]=4 21813 B14R1.3711 CCOC(=O)CCC(=O)N1CCC1C 11a_100000755817_100000183558 [0,1,0,1,0,0|1,0,1]=4 21814 B14R1.3711 CCOC(=O)CCC(=O)N1CCC1C 240690a_100000755817_100000183558 [0,1,0,1,0,0|1,0,1]=4 21815 B14R1.3711 CCOC(=O)CCC(C)N1CCC1C 269982a_100000755817_100000748298 [0,1,0,1,0,0|1,0,0]=3 21816 B14R1.3711 CCOC(=O)CCC(C)N1CCC1C 34a_100000755817_100000748298 [0,1,0,1,0,0|1,0,0]=3 21817 B14R1.5407 CCOC(=O)CCN1CC(C1)COC 2230a_100016993750_100011206558 [0,1,0,1,0,0|2,0,0]=4 21818 B14R1.5407 CCOC(=O)CCN1CC(C1)COC 269982a_100016993750_100011206558 [0,1,0,1,0,0|2,0,0]=4 21819 B14R1.5407 CCOC(=O)CCN1CC(C1)COC 34a_100016993750_100000765890 [0,1,0,1,0,0|2,0,0]=4 21820 B14R1.5407 CCOC(=O)CCN1CC(C1)OCC 269982a_100000732654_100011206558 [0,1,0,1,0,0|2,0,0]=4 21821 B14R1.5407 CCOC(=O)CCN1CC(C1)OCC 34a_100000732654_100000765890 [0,1,0,1,0,0|2,0,0]=4 21822 B14R1.5407 CCOC(=O)CNC1CC(C1)COC 2230a_100012180050_100000188475 [0,1,0,1,0,0|2,0,0]=4 21823 B14R1.6579 CCCN1C[C@@H](C[C@H]1C(=O)OCC)O 2230a_100020626377_100000210303 [0,1,0,1,0,0|1,0,0]=3 21824 B14R1.6579 CCCN1C[C@@H](C[C@H]1C(=O)OCC)O 269982a_100020626377_100000210303 [0,1,0,1,0,0|1,0,0]=3 21825 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCF)O 2230a_100020626377_100011217306 [0,1,0,1,0,0|2,0,0]=4 21826 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCF)O 269982a_100020626377_100011217306 [0,1,0,1,0,0|2,0,0]=4 21827 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCO)O 2230a_100020626377_100000211926 [0,1,0,1,0,0|2,0,0]=4 21828 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CCO)O 269982a_100020626377_100000211926 [0,1,0,1,0,0|2,0,0]=4 21829 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1COC)O 2230a_100020626377_100000766300 [0,1,0,1,0,0|2,0,0]=4 21830 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1COC)O 269982a_100020626377_100000766300 [0,1,0,1,0,0|2,0,0]=4 21831 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CSC)O 2230a_100020626377_100011218213 [0,1,0,1,0,0|2,0,0]=4 21832 B14R1.6579 CCOC(=O)[C@@H]1C[C@H](CN1CSC)O 269982a_100020626377_100011218213 [0,1,0,1,0,0|2,0,0]=4 21833 B14R1.18883 CCCC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000747444 [0,1,0,1,0,0|2,0,0]=4 21834 B14R1.18883 CCCC(=O)COC1(CCCCC1)C 7a_100011215885_100000747444 [0,1,0,1,0,0|2,0,0]=4 21835 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 11a_100000706052_100000211992 [0,1,0,1,0,0|2,0,0]=4 21836 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 1626a_100000706052_100000211992 [0,1,0,1,0,0|2,0,0]=4 21837 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 240690a_100000706052_100000211992 [0,1,0,1,0,0|2,0,0]=4 21838 B14R1.18883 CCCC(=O)NCC1(CCCCC1)C 527a_100000706052_100000211992 [0,1,0,1,0,0|2,0,0]=4 21839 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 11a_100000748649_100000211992 [0,1,0,1,0,0|2,0,0]=4 21840 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 1626a_100000748649_100000211992 [0,1,0,1,0,0|2,0,0]=4 21841 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 240690a_100000748649_100000211992 [0,1,0,1,0,0|2,0,0]=4 21842 B14R1.18883 CCCC(=O)NCC1(CCCCC1)O 527a_100000748649_100000211992 [0,1,0,1,0,0|2,0,0]=4 21843 B14R1.18883 CCNC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000183381 [0,1,0,1,0,0|2,0,0]=4 21844 B14R1.18883 CCNC(=O)CNC1(CCCCC1)C 34a_100000741114_100000183381 [0,1,0,1,0,0|2,0,0]=4 21845 B14R1.18883 CCNC(=O)COC1(CCCCC1)C 34a_100011215885_100000183381 [0,1,0,1,0,0|2,0,0]=4 21846 B14R1.18883 CCNC(=O)COC1(CCCCC1)C 7a_100011215885_100000183381 [0,1,0,1,0,0|2,0,0]=4 21847 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 2708a_100000706052_100015525214 [0,1,0,1,0,0|2,0,0]=4 21848 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 2708a_100015525214_100000706052 [0,1,0,1,0,0|2,0,0]=4 21849 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 273464a_100000706052_100015525214 [0,1,0,1,0,0|2,0,0]=4 21850 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 273464a_100015525214_100000706052 [0,1,0,1,0,0|2,0,0]=4 21851 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 512a_100000706052_100015525214 [0,1,0,1,0,0|2,0,0]=4 21852 B14R1.18883 CCNC(=O)NCC1(CCCCC1)C 512a_100015525214_100000706052 [0,1,0,1,0,0|2,0,0]=4 21853 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 2708a_100015525214_100000748649 [0,1,0,1,0,0|2,0,0]=4 21854 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 273464a_100015525214_100000748649 [0,1,0,1,0,0|2,0,0]=4 21855 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 512a_100000748649_100015525214 [0,1,0,1,0,0|2,0,0]=4 21856 B14R1.18883 CCNC(=O)NCC1(CCCCC1)O 512a_100015525214_100000748649 [0,1,0,1,0,0|2,0,0]=4 21857 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 2230a_100000741114_100000188475 [0,1,0,1,0,0|1,0,0]=3 21858 B14R1.18883 CCOC(=O)CNC1(CCCCC1)C 34a_100000741114_100000188475 [0,1,0,1,0,0|1,0,0]=3 21859 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 2230a_100000692449_100000188475 [0,1,0,1,0,0|2,0,0]=4 21860 B14R1.18883 CCOC(=O)CNC1(CCOCC1)C 34a_100000692449_100000188475 [0,1,0,1,0,0|2,0,0]=4 21861 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 34a_100011215885_100000188475 [0,1,0,1,0,0|1,0,0]=3 21862 B14R1.18883 CCOC(=O)COC1(CCCCC1)C 7a_100011215885_100000188475 [0,1,0,1,0,0|1,0,0]=3 21863 B14R1.18883 CCOC(=O)COC1(CCOCC1)C 34a_100011827762_100000188475 [0,1,0,1,0,0|2,0,0]=4 21864 B14R1.18883 CCOC(=O)COC1(CCOCC1)C 7a_100011827762_100000188475 [0,1,0,1,0,0|2,0,0]=4 21865 B14R1.18883 CCOC(=O)COC1(CCSCC1)C 34a_200011004327_100000188475 [0,1,0,1,0,0|2,0,0]=4 21866 B14R1.18883 CCOC(=O)COC1(CCSCC1)C 7a_200011004327_100000188475 [0,1,0,1,0,0|2,0,0]=4 21867 B14R1.18889 CCOC(=O)CO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000188475 [0,1,0,1,0,0|2,0,0]=4 21868 B14R1.19171 CCCC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000747444 [0,1,0,1,0,0|2,0,0]=4 21869 B14R1.19171 CCCC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000747444 [0,1,0,1,0,0|2,0,0]=4 21870 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000183381 [0,1,0,1,0,0|2,0,0]=4 21871 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 240690a_100015525214_200032004080 [0,1,0,1,0,0|2,0,0]=4 21872 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000183381 [0,1,0,1,0,0|2,0,0]=4 21873 B14R1.19171 CCNC(=O)CN1C(CCCC1C)C 34a_100000210447_100000183381 [0,1,0,1,0,0|2,0,0]=4 21874 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 2230a_100000210447_100000188475 [0,1,0,1,0,0|1,0,0]=3 21875 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 269982a_100000210447_100000188475 [0,1,0,1,0,0|1,0,0]=3 21876 B14R1.19171 CCOC(=O)CN1C(CCCC1C)C 34a_100000210447_100000188475 [0,1,0,1,0,0|1,0,0]=3 21877 B14R1.19171 CCOC(=O)CN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100000188475 [0,1,0,1,0,0|2,0,0]=4 21878 B14R1.19171 CCOC(=O)CN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100000188475 [0,1,0,1,0,0|2,0,0]=4 21879 B14R1.19171 CCOC(=O)CN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000188475 [0,1,0,1,0,0|2,0,0]=4 21880 B14R1.9 CCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210314 [0,1,0,1,0,0|2,0,0]=4 21881 B14R1.9 CCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210757 [0,1,0,1,0,0|2,0,0]=4 21882 B14R1.9 CCCCCCN1CCNC(=O)C1C 34a_100000750721_100000210314 [0,1,0,1,0,0|2,0,0]=4 21883 B14R1.60 CC(CC1CCCCC1)C(=O)CCF 1458a_200011416370_100011217306 [0,1,0,1,0,0|2,0,0]=4 21884 B14R1.60 CC(CC1CCCCC1)C(=O)CCO 1458a_200011416370_100000211926 [0,1,0,1,0,0|2,0,0]=4 21885 B14R1.60 CCCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210303 [0,1,0,1,0,0|1,0,0]=3 21886 B14R1.60 CCCC(=O)C(C)CN1CCCCC1 1458a_100000211992_100009831500 [0,1,0,1,0,0|2,0,0]=4 21887 B14R1.60 CCCC(=O)C(C)CN1CCCCC1 1458a_100000740234_100000210303 [0,1,0,1,0,0|2,0,0]=4 21888 B14R1.60 CCCC(=O)N(C)CC1CCCCC1 11a_100000736448_100000211992 [0,1,0,1,0,0|2,0,0]=4 21889 B14R1.60 CCCC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000211992 [0,1,0,1,0,0|2,0,0]=4 21890 B14R1.60 CCCC(=O)N(C)CC1CCCCC1 240690a_100000736448_100000211992 [0,1,0,1,0,0|2,0,0]=4 21891 B14R1.60 CCCC(=O)N(C)CC1CCCCC1 527a_100000736448_100000211992 [0,1,0,1,0,0|2,0,0]=4 21892 B14R1.60 CCCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210303 [0,1,0,1,0,0|1,0,0]=3 21893 B14R1.60 CCNC(=O)C(=O)CC1CCCCC1 1458a_200011297158_100000211423 [0,1,0,1,0,0|1,0,1]=4 21894 B14R1.60 CCNC(=O)C(C)CC1CCCCC1 11a_100015525214_200011416370 [0,1,0,1,0,0|1,0,0]=3 21895 B14R1.60 CCNC(=O)C(C)CC1CCCCC1 240690a_100015525214_200011416370 [0,1,0,1,0,0|1,0,0]=3 21896 B14R1.60 CCNC(=O)C(C)CC1CCCCC1 527a_100015525214_200011416370 [0,1,0,1,0,0|1,0,0]=3 21897 B14R1.60 CCNC(=O)C(C)CN1CCCCC1 11a_100015525214_100000740234 [0,1,0,1,0,0|2,0,0]=4 21898 B14R1.60 CCNC(=O)C(C)CN1CCCCC1 240690a_100015525214_100000740234 [0,1,0,1,0,0|2,0,0]=4 21899 B14R1.60 CCNC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000230173 [0,1,0,1,0,0|2,0,0]=4 21900 B14R1.60 CCNC(=O)C(C)NC1CCCCC1 270004a_100000736553_100000210434 [0,1,0,1,0,0|2,0,0]=4 21901 B14R1.60 CCNC(=O)C(C)NC1CCCCC1 34a_100000182618_100000230173 [0,1,0,1,0,0|2,0,0]=4 21902 B14R1.60 CCNC(=O)C(C)NC1CCCCC1 34a_100000736553_100000210327 [0,1,0,1,0,0|2,0,0]=4 21903 B14R1.60 CCNC(=O)C(C)OC1CCCCC1 34a_100000210231_100000230173 [0,1,0,1,0,0|2,0,0]=4 21904 B14R1.60 CCNC(=O)C(C)OC1CCCCC1 7a_100000210231_100000230173 [0,1,0,1,0,0|2,0,0]=4 21905 B14R1.60 CCNC(=O)C(C)SC1CCCCC1 62a_100000210327_100000230173 [0,1,0,1,0,0|2,0,0]=4 21906 B14R1.60 CCNC(=O)C(C)SC1CCCCC1 62a_100000230173_100000210327 [0,1,0,1,0,0|2,0,0]=4 21907 B14R1.60 CCNC(=O)N(C)CC1CCCCC1 2708a_100015525214_100000736448 [0,1,0,1,0,0|2,0,0]=4 21908 B14R1.60 CCNC(=O)N(C)CC1CCCCC1 273464a_100015525214_100000736448 [0,1,0,1,0,0|2,0,0]=4 21909 B14R1.60 CCNC(=O)[C@H](O)CC1CCCCC1 240690a_100015525214_100016183741 [0,1,0,1,0,0|1,0,0]=3 21910 B14R1.60 CCNC(=O)[C@H](O)CC1CCCCC1 527a_100015525214_100016183741 [0,1,0,1,0,0|1,0,0]=3 21911 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 11a_100000182618_100014798877 [0,1,0,1,0,0|1,0,1]=4 21912 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100014798877 [0,1,0,1,0,0|1,0,1]=4 21913 B14R1.60 CCOC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100014798877 [0,1,0,1,0,0|1,0,1]=4 21914 B14R1.60 CCOC(=O)C(C)NC1CCCCC1 2230a_100000182618_100011215307 [0,1,0,1,0,0|1,0,0]=3 21915 B14R1.60 CCOC(=O)C(C)NC1CCCCC1 34a_100000182618_100011216346 [0,1,0,1,0,0|1,0,0]=3 21916 B14R1.60 CCOC(=O)C(C)NC1CCCOC1 2230a_100000719290_100011215307 [0,1,0,1,0,0|2,0,0]=4 21917 B14R1.60 CCOC(=O)C(C)NC1CCCOC1 34a_100000719290_100011216346 [0,1,0,1,0,0|2,0,0]=4 21918 B14R1.60 CCOC(=O)C(C)NC1CCOCC1 2230a_100000741149_100011215307 [0,1,0,1,0,0|2,0,0]=4 21919 B14R1.60 CCOC(=O)C(C)NC1CCOCC1 34a_100000741149_100011216346 [0,1,0,1,0,0|2,0,0]=4 21920 B14R1.60 CCOC(=O)C(C)NC1CCSCC1 2230a_100000748639_100011215307 [0,1,0,1,0,0|2,0,0]=4 21921 B14R1.60 CCOC(=O)C(C)NC1CCSCC1 34a_100000748639_100011216346 [0,1,0,1,0,0|2,0,0]=4 21922 B14R1.60 CCOC(=O)C(C)OC1CCCCC1 34a_100000210231_100011216346 [0,1,0,1,0,0|1,0,0]=3 21923 B14R1.60 CCOC(=O)C(C)OC1CCCCC1 7a_100000210231_100011216346 [0,1,0,1,0,0|1,0,0]=3 21924 B14R1.60 CCOC(=O)C(C)OC1CCCCO1 34a_100000033831_100011216346 [0,1,0,1,0,0|2,0,0]=4 21925 B14R1.60 CCOC(=O)C(C)OC1CCCOC1 34a_100000754041_100011216346 [0,1,0,1,0,0|2,0,0]=4 21926 B14R1.60 CCOC(=O)C(C)OC1CCCSC1 7a_100015962668_100011216346 [0,1,0,1,0,0|2,0,0]=4 21927 B14R1.60 CCOC(=O)C(C)OC1CCOCC1 34a_100000744328_100011216346 [0,1,0,1,0,0|2,0,0]=4 21928 B14R1.60 CCOC(=O)C(C)OC1CCSCC1 34a_100000731022_100011216346 [0,1,0,1,0,0|2,0,0]=4 21929 B14R1.60 CCOC(=O)C(C)OC1CCSCC1 7a_100000731022_100011216346 [0,1,0,1,0,0|2,0,0]=4 21930 B14R1.60 CCOC(=O)C(C)SC1CCCCC1 62a_100000210327_100011216346 [0,1,0,1,0,0|1,0,0]=3 21931 B14R1.60 CCOC(=O)C(C)SC1CCCCC1 62a_100011216346_100000210327 [0,1,0,1,0,0|1,0,0]=3 21932 B14R1.60 CCOC(=O)C(C)SC1CCCOC1 62a_100011216346_100000693364 [0,1,0,1,0,0|2,0,0]=4 21933 B14R1.60 CCOC(=O)C(C)SC1CCOCC1 62a_100011216346_100011324220 [0,1,0,1,0,0|2,0,0]=4 21934 B14R1.60 CCOC(=O)C(C)SC1CCSCC1 62a_100011216346_100000069128 [0,1,0,1,0,0|2,0,0]=4 21935 B14R1.60 CCOC(=O)C(F)NC1CCCCC1 2230a_100000182618_100000760018 [0,1,0,1,0,0|1,0,0]=3 21936 B14R1.60 CCOC(=O)C(F)NC1CCCCC1 34a_100000182618_100000760018 [0,1,0,1,0,0|1,0,0]=3 21937 B14R1.60 CCOC(=O)C(F)NC1CCCOC1 2230a_100000719290_100000760018 [0,1,0,1,0,0|2,0,0]=4 21938 B14R1.60 CCOC(=O)C(F)NC1CCCOC1 34a_100000719290_100000760018 [0,1,0,1,0,0|2,0,0]=4 21939 B14R1.60 CCOC(=O)C(F)NC1CCOCC1 2230a_100000741149_100000760018 [0,1,0,1,0,0|2,0,0]=4 21940 B14R1.60 CCOC(=O)C(F)NC1CCOCC1 34a_100000741149_100000760018 [0,1,0,1,0,0|2,0,0]=4 21941 B14R1.60 CCOC(=O)C(F)NC1CCSCC1 2230a_100000748639_100000760018 [0,1,0,1,0,0|2,0,0]=4 21942 B14R1.60 CCOC(=O)C(F)NC1CCSCC1 34a_100000748639_100000760018 [0,1,0,1,0,0|2,0,0]=4 21943 B14R1.60 CCOC(=O)C(F)OC1CCCCC1 34a_100000210231_100000760018 [0,1,0,1,0,0|1,0,0]=3 21944 B14R1.60 CCOC(=O)C(F)OC1CCCCC1 7a_100000210231_100000040065 [0,1,0,1,0,0|1,0,0]=3 21945 B14R1.60 CCOC(=O)C(F)OC1CCCCO1 34a_100000033831_100000760018 [0,1,0,1,0,0|2,0,0]=4 21946 B14R1.60 CCOC(=O)C(F)OC1CCCOC1 34a_100000754041_100000760018 [0,1,0,1,0,0|2,0,0]=4 21947 B14R1.60 CCOC(=O)C(F)OC1CCCSC1 7a_100015962668_100000040065 [0,1,0,1,0,0|2,0,0]=4 21948 B14R1.60 CCOC(=O)C(F)OC1CCOCC1 34a_100000744328_100000760018 [0,1,0,1,0,0|2,0,0]=4 21949 B14R1.60 CCOC(=O)C(F)OC1CCSCC1 34a_100000731022_100000760018 [0,1,0,1,0,0|2,0,0]=4 21950 B14R1.60 CCOC(=O)C(F)OC1CCSCC1 7a_100000731022_100000040065 [0,1,0,1,0,0|2,0,0]=4 21951 B14R1.60 CCOC(=O)C(F)SC1CCCCC1 62a_100000210327_100000760018 [0,1,0,1,0,0|1,0,0]=3 21952 B14R1.60 CCOC(=O)C(F)SC1CCCCC1 62a_100000760018_100000210327 [0,1,0,1,0,0|1,0,0]=3 21953 B14R1.60 CCOC(=O)C(F)SC1CCCOC1 62a_100000760018_100000693364 [0,1,0,1,0,0|2,0,0]=4 21954 B14R1.60 CCOC(=O)C(F)SC1CCOCC1 62a_100000760018_100011324220 [0,1,0,1,0,0|2,0,0]=4 21955 B14R1.60 CCOC(=O)C(F)SC1CCSCC1 62a_100000760018_100000069128 [0,1,0,1,0,0|2,0,0]=4 21956 B14R1.60 CCOC(=O)[C@H](C)OC1CCCCC1 7a_100000751109_100000210327 [0,1,0,1,0,0|1,0,0]=3 21957 B14R1.60 CCOC(=O)[C@H](C)OC1CCCOC1 7a_100000751109_100000693364 [0,1,0,1,0,0|2,0,0]=4 21958 B14R1.60 CCOC(=O)[C@H](C)OC1CCOCC1 7a_100000751109_100000686592 [0,1,0,1,0,0|2,0,0]=4 21959 B14R1.60 CCOC(=O)[C@H](C)OC1CCSCC1 7a_100000751109_100011500858 [0,1,0,1,0,0|2,0,0]=4 21960 B14R1.60 CNNC(=O)C(C)CC1CCCCC1 22a_100016993582_200011416370 [0,1,0,1,0,0|2,0,0]=4 21961 B14R1.60 CNNC(=O)[C@H](O)CC1CCCCC1 22a_100016993582_100016183741 [0,1,0,1,0,0|2,0,0]=4 21962 B14R1.60 O=C(CCF)[C@H](O)CC1CCCCC1 1458a_100016183741_100011217306 [0,1,0,1,0,0|2,0,0]=4 21963 B14R1.60 O=C(CCO)[C@H](O)CC1CCCCC1 1458a_100016183741_100000211926 [0,1,0,1,0,0|2,0,0]=4 21964 B14R1.471 CCCN1CCC[C@@H](C1)C(=O)OCC 2230a_100000759086_100000210303 [0,1,0,1,0,0|1,0,0]=3 21965 B14R1.471 CCCN1CCC[C@@H](C1)C(=O)OCC 269982a_100000759086_100000210303 [0,1,0,1,0,0|1,0,0]=3 21966 B14R1.471 CCCN1CCOC(C1)C(=O)OCC 2230a_100016995033_100000210303 [0,1,0,1,0,0|2,0,0]=4 21967 B14R1.471 CCCN1CCOC(C1)C(=O)OCC 269982a_100016995033_100000210303 [0,1,0,1,0,0|2,0,0]=4 21968 B14R1.471 CCNC1CCOC(C1)C(=O)OCC 270004a_100015525214_100010274582 [0,1,0,1,0,0|2,0,0]=4 21969 B14R1.471 CCOC(=O)C1CCCC(C1)OCC 7a_100011934014_100000210202 [0,1,0,1,0,0|1,0,0]=3 21970 B14R1.471 CCOC(=O)C1CCCC(C1)OCF 7a_100011934014_100015361967 [0,1,0,1,0,0|2,0,0]=4 21971 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)CCF 2230a_100000759086_100011217306 [0,1,0,1,0,0|2,0,0]=4 21972 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)CCF 269982a_100000759086_100011217306 [0,1,0,1,0,0|2,0,0]=4 21973 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)CCO 2230a_100000759086_100000211926 [0,1,0,1,0,0|2,0,0]=4 21974 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)CCO 269982a_100000759086_100000211926 [0,1,0,1,0,0|2,0,0]=4 21975 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)COC 2230a_100000759086_100000766300 [0,1,0,1,0,0|2,0,0]=4 21976 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)COC 269982a_100000759086_100000766300 [0,1,0,1,0,0|2,0,0]=4 21977 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)CSC 2230a_100000759086_100011218213 [0,1,0,1,0,0|2,0,0]=4 21978 B14R1.471 CCOC(=O)[C@H]1CCCN(C1)CSC 269982a_100000759086_100011218213 [0,1,0,1,0,0|2,0,0]=4 21979 B14R1.633 C=C(CNC1CCCC1)C(=O)OCC 34a_100000211070_100000755967 [0,1,0,1,0,0|1,0,1]=4 21980 B14R1.633 C=C(COC1CCCC1)C(=O)OCC 34a_100000210269_100000755967 [0,1,0,1,0,0|1,0,1]=4 21981 B14R1.633 C=C(COC1CCCC1)C(=O)OCC 7a_100000210269_100000755967 [0,1,0,1,0,0|1,0,1]=4 21982 B14R1.633 C=C(CSC1CCCC1)C(=O)OCC 62a_100000755967_100000179811 [0,1,0,1,0,0|1,0,1]=4 21983 B14R1.633 C=C(CSC1CCCC1)C(=O)OCC 62a_100011217020_100000755967 [0,1,0,1,0,0|1,0,1]=4 21984 B14R1.633 CCNC(=O)C(=O)CCC1CCCC1 1458a_200011297158_100000760354 [0,1,0,1,0,0|1,0,1]=4 21985 B14R1.633 CCNC(=O)C(C)NCC1CCCC1 2230a_100000736553_100000740388 [0,1,0,1,0,0|2,0,0]=4 21986 B14R1.633 CCNC(=O)C(C)NCC1CCCC1 2230a_100000737975_100000230173 [0,1,0,1,0,0|2,0,0]=4 21987 B14R1.633 CCNC(=O)C(C)NCC1CCCC1 34a_100000736553_100000740388 [0,1,0,1,0,0|2,0,0]=4 21988 B14R1.633 CCNC(=O)C(C)NCC1CCCC1 34a_100000737975_100000230173 [0,1,0,1,0,0|2,0,0]=4 21989 B14R1.633 CCNC(=O)C(C)OCC1CCCC1 34a_100000742336_100000230173 [0,1,0,1,0,0|2,0,0]=4 21990 B14R1.633 CCNC(=O)C(C)OCC1CCCC1 7a_100000742336_100000230173 [0,1,0,1,0,0|2,0,0]=4 21991 B14R1.633 CCNC(=O)C(C)SCC1CCCC1 62a_100000230173_100000740388 [0,1,0,1,0,0|2,0,0]=4 21992 B14R1.633 CCNC(=O)C(C)SCC1CCCC1 62a_100000740388_100000230173 [0,1,0,1,0,0|2,0,0]=4 21993 B14R1.633 CCOC(=O)C(=O)CSC1CCCC1 62a_100000211299_100000179811 [0,1,0,1,0,0|1,0,1]=4 21994 B14R1.633 CCOC(=O)C(=O)CSC1CCCC1 62a_100011217020_100000211299 [0,1,0,1,0,0|1,0,1]=4 21995 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 11a_100000737975_100014798877 [0,1,0,1,0,0|1,0,1]=4 21996 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 1626a_100000737975_100014798877 [0,1,0,1,0,0|1,0,1]=4 21997 B14R1.633 CCOC(=O)C(=O)NCC1CCCC1 240690a_100000737975_100014798877 [0,1,0,1,0,0|1,0,1]=4 21998 B14R1.633 CCOC(=O)C(C)NCC1CCCC1 2230a_100000737975_100011215307 [0,1,0,1,0,0|1,0,0]=3 21999 B14R1.633 CCOC(=O)C(C)NCC1CCCC1 34a_100000737975_100011216346 [0,1,0,1,0,0|1,0,0]=3 22000 B14R1.633 CCOC(=O)C(C)NCC1CCOC1 2230a_100000737293_100011215307 [0,1,0,1,0,0|2,0,0]=4 22001 B14R1.633 CCOC(=O)C(C)NCC1CCOC1 34a_100000737293_100011216346 [0,1,0,1,0,0|2,0,0]=4 22002 B14R1.633 CCOC(=O)C(C)NC[C@@H]1CCCO1 2230a_100020590478_100011215307 [0,1,0,1,0,0|2,0,0]=4 22003 B14R1.633 CCOC(=O)C(C)NC[C@@H]1CCCO1 34a_100020590478_100011216346 [0,1,0,1,0,0|2,0,0]=4 22004 B14R1.633 CCOC(=O)C(C)OCC1CCCC1 34a_100000742336_100011216346 [0,1,0,1,0,0|1,0,0]=3 22005 B14R1.633 CCOC(=O)C(C)OCC1CCCC1 7a_100000742336_100011216346 [0,1,0,1,0,0|1,0,0]=3 22006 B14R1.633 CCOC(=O)C(C)OCC1CCCO1 34a_100000210270_100011216346 [0,1,0,1,0,0|2,0,0]=4 22007 B14R1.633 CCOC(=O)C(C)OCC1CCCO1 7a_100000210270_100011216346 [0,1,0,1,0,0|2,0,0]=4 22008 B14R1.633 CCOC(=O)C(C)OCC1CCNC1 34a_100000748654_100011216346 [0,1,0,1,0,0|2,0,0]=4 22009 B14R1.633 CCOC(=O)C(C)OCC1CCOC1 34a_100000740260_100011216346 [0,1,0,1,0,0|2,0,0]=4 22010 B14R1.633 CCOC(=O)C(C)OC[C@H]1CCCN1 34a_100000745186_100011216346 [0,1,0,1,0,0|2,0,0]=4 22011 B14R1.633 CCOC(=O)C(C)SCC1CCCC1 62a_100000740388_100011216346 [0,1,0,1,0,0|1,0,0]=3 22012 B14R1.633 CCOC(=O)C(C)SCC1CCCC1 62a_100011216346_100000740388 [0,1,0,1,0,0|1,0,0]=3 22013 B14R1.633 CCOC(=O)C(C)SCC1CCCO1 62a_100000203698_100011216346 [0,1,0,1,0,0|2,0,0]=4 22014 B14R1.633 CCOC(=O)C(C)SCC1CCCO1 62a_100011216346_100000203698 [0,1,0,1,0,0|2,0,0]=4 22015 B14R1.633 CCOC(=O)C(C)SCC1CCOC1 62a_100000702531_100011216346 [0,1,0,1,0,0|2,0,0]=4 22016 B14R1.633 CCOC(=O)C(C)SCC1CCOC1 62a_100011216346_100000702531 [0,1,0,1,0,0|2,0,0]=4 22017 B14R1.633 CCOC(=O)C(F)NCC1CCCC1 2230a_100000737975_100000760018 [0,1,0,1,0,0|1,0,0]=3 22018 B14R1.633 CCOC(=O)C(F)NCC1CCCC1 34a_100000737975_100000760018 [0,1,0,1,0,0|1,0,0]=3 22019 B14R1.633 CCOC(=O)C(F)NCC1CCOC1 2230a_100000737293_100000760018 [0,1,0,1,0,0|2,0,0]=4 22020 B14R1.633 CCOC(=O)C(F)NCC1CCOC1 34a_100000737293_100000760018 [0,1,0,1,0,0|2,0,0]=4 22021 B14R1.633 CCOC(=O)C(F)NC[C@@H]1CCCO1 2230a_100020590478_100000760018 [0,1,0,1,0,0|2,0,0]=4 22022 B14R1.633 CCOC(=O)C(F)NC[C@@H]1CCCO1 34a_100020590478_100000760018 [0,1,0,1,0,0|2,0,0]=4 22023 B14R1.633 CCOC(=O)C(F)OCC1CCCC1 34a_100000742336_100000760018 [0,1,0,1,0,0|1,0,0]=3 22024 B14R1.633 CCOC(=O)C(F)OCC1CCCC1 7a_100000742336_100000040065 [0,1,0,1,0,0|1,0,0]=3 22025 B14R1.633 CCOC(=O)C(F)OCC1CCCO1 34a_100000210270_100000760018 [0,1,0,1,0,0|2,0,0]=4 22026 B14R1.633 CCOC(=O)C(F)OCC1CCCO1 7a_100000210270_100000040065 [0,1,0,1,0,0|2,0,0]=4 22027 B14R1.633 CCOC(=O)C(F)OCC1CCNC1 34a_100000748654_100000760018 [0,1,0,1,0,0|2,0,0]=4 22028 B14R1.633 CCOC(=O)C(F)OCC1CCOC1 34a_100000740260_100000760018 [0,1,0,1,0,0|2,0,0]=4 22029 B14R1.633 CCOC(=O)C(F)OC[C@H]1CCCN1 34a_100000745186_100000760018 [0,1,0,1,0,0|2,0,0]=4 22030 B14R1.633 CCOC(=O)C(F)SCC1CCCC1 62a_100000740388_100000760018 [0,1,0,1,0,0|1,0,0]=3 22031 B14R1.633 CCOC(=O)C(F)SCC1CCCC1 62a_100000760018_100000740388 [0,1,0,1,0,0|1,0,0]=3 22032 B14R1.633 CCOC(=O)C(F)SCC1CCCO1 62a_100000203698_100000760018 [0,1,0,1,0,0|2,0,0]=4 22033 B14R1.633 CCOC(=O)C(F)SCC1CCCO1 62a_100000760018_100000203698 [0,1,0,1,0,0|2,0,0]=4 22034 B14R1.633 CCOC(=O)C(F)SCC1CCOC1 62a_100000702531_100000760018 [0,1,0,1,0,0|2,0,0]=4 22035 B14R1.633 CCOC(=O)C(F)SCC1CCOC1 62a_100000760018_100000702531 [0,1,0,1,0,0|2,0,0]=4 22036 B14R1.633 CCOC(=O)[C@H](C)OCC1CCCC1 7a_100000751109_100000740388 [0,1,0,1,0,0|1,0,0]=3 22037 B14R1.633 CCOC(=O)[C@H](C)OCC1CCCO1 7a_100000751109_100000203698 [0,1,0,1,0,0|2,0,0]=4 22038 B14R1.633 CCOC(=O)[C@H](C)OCC1CCOC1 7a_100000751109_100000702531 [0,1,0,1,0,0|2,0,0]=4 22039 B14R1.633 CCSC(=O)[C@H](C)NCC1CCCC1 2230a_100103168634_100000740388 [0,1,0,1,0,0|1,1,0]=4 22040 B14R1.1427 CCCCCCCC(C)C(=O)C1CC1 1458a_100000210395_200011218727 [0,1,0,1,0,0|1,0,0]=3 22041 B14R1.1427 CCCCCCCC(C)C(=O)C1CO1 1458a_100000701028_200011218727 [0,1,0,1,0,0|2,0,0]=4 22042 B14R1.1427 CCCCCCCN(C)C(=O)C1CC1 11a_100000228206_100000210395 [0,1,0,1,0,0|2,0,0]=4 22043 B14R1.1427 CCCCCCCN(C)C(=O)C1CC1 1626a_100000228206_100000210395 [0,1,0,1,0,0|2,0,0]=4 22044 B14R1.1427 CCCCCCCN(C)C(=O)C1CC1 240690a_100000228206_100000210395 [0,1,0,1,0,0|2,0,0]=4 22045 B14R1.1427 CCCCCCCN(C)C(=O)C1CC1 527a_100000228206_100000210395 [0,1,0,1,0,0|2,0,0]=4 22046 B14R1.3348 CCNC(=O)C(C)N1CCCCC1C 2230a_100000211376_100000230173 [0,1,0,1,0,0|2,0,0]=4 22047 B14R1.3348 CCNC(=O)C(C)N1CCCCC1C 240690a_100015525214_100011243360 [0,1,0,1,0,0|2,0,0]=4 22048 B14R1.3348 CCNC(=O)C(C)N1CCCCC1C 269982a_100000211376_100000230173 [0,1,0,1,0,0|2,0,0]=4 22049 B14R1.3348 CCNC(=O)C(C)N1CCCCC1C 34a_100000211376_100000230173 [0,1,0,1,0,0|2,0,0]=4 22050 B14R1.3348 CCNC(=O)C(C)N1CCCCC1C 527a_100015525214_100011243360 [0,1,0,1,0,0|2,0,0]=4 22051 B14R1.3348 CCOC(=O)C(=O)N1CCCCC1C 11a_100000211376_100014798877 [0,1,0,1,0,0|1,0,1]=4 22052 B14R1.3348 CCOC(=O)C(=O)N1CCCCC1C 1626a_100000211376_100014798877 [0,1,0,1,0,0|1,0,1]=4 22053 B14R1.3348 CCOC(=O)C(=O)N1CCCCC1C 240690a_100000211376_100014798877 [0,1,0,1,0,0|1,0,1]=4 22054 B14R1.3348 CCOC(=O)C(C)N1CCCCC1C 2230a_100000211376_100011215307 [0,1,0,1,0,0|1,0,0]=3 22055 B14R1.3348 CCOC(=O)C(C)N1CCCCC1C 269982a_100000211376_100011216346 [0,1,0,1,0,0|1,0,0]=3 22056 B14R1.3348 CCOC(=O)C(C)N1CCCCC1C 34a_100000211376_100011216346 [0,1,0,1,0,0|1,0,0]=3 22057 B14R1.3348 CCOC(=O)C(C)N1CCOC[C@@H]1C 2230a_100009815349_100011215307 [0,1,0,1,0,0|2,0,0]=4 22058 B14R1.3348 CCOC(=O)C(C)N1CCOC[C@@H]1C 269982a_100009815349_100011216346 [0,1,0,1,0,0|2,0,0]=4 22059 B14R1.3348 CCOC(=O)C(C)N1CCOC[C@@H]1C 34a_100009815349_100011216346 [0,1,0,1,0,0|2,0,0]=4 22060 B14R1.3348 CCOC(=O)C(F)N1CCCCC1C 2230a_100000211376_100000760018 [0,1,0,1,0,0|1,0,0]=3 22061 B14R1.3348 CCOC(=O)C(F)N1CCCCC1C 269982a_100000211376_100000760018 [0,1,0,1,0,0|1,0,0]=3 22062 B14R1.3348 CCOC(=O)C(F)N1CCCCC1C 34a_100000211376_100000760018 [0,1,0,1,0,0|1,0,0]=3 22063 B14R1.3348 CCOC(=O)C(F)N1CCOC[C@@H]1C 2230a_100009815349_100000760018 [0,1,0,1,0,0|2,0,0]=4 22064 B14R1.3348 CCOC(=O)C(F)N1CCOC[C@@H]1C 269982a_100009815349_100000760018 [0,1,0,1,0,0|2,0,0]=4 22065 B14R1.3348 CCOC(=O)C(F)N1CCOC[C@@H]1C 34a_100009815349_100000760018 [0,1,0,1,0,0|2,0,0]=4 22066 B14R1.3354 CCNC(=O)C(C)N1CCCC1CC 2230a_100000754278_100000230173 [0,1,0,1,0,0|2,0,0]=4 22067 B14R1.3354 CCNC(=O)C(C)N1CCCC1CC 269982a_100000754278_100000230173 [0,1,0,1,0,0|2,0,0]=4 22068 B14R1.3354 CCNC(=O)C(C)N1CCCC1CC 34a_100000754278_100000230173 [0,1,0,1,0,0|2,0,0]=4 22069 B14R1.3354 CCOC(=O)C(=O)N1CCCC1CC 11a_100000754278_100014798877 [0,1,0,1,0,0|1,0,1]=4 22070 B14R1.3354 CCOC(=O)C(=O)N1CCCC1CC 1626a_100000754278_100014798877 [0,1,0,1,0,0|1,0,1]=4 22071 B14R1.3354 CCOC(=O)C(=O)N1CCCC1CC 240690a_100000754278_100014798877 [0,1,0,1,0,0|1,0,1]=4 22072 B14R1.3354 CCOC(=O)C(C)N1CCCC1CC 2230a_100000754278_100011215307 [0,1,0,1,0,0|1,0,0]=3 22073 B14R1.3354 CCOC(=O)C(C)N1CCCC1CC 269982a_100000754278_100011216346 [0,1,0,1,0,0|1,0,0]=3 22074 B14R1.3354 CCOC(=O)C(C)N1CCCC1CC 34a_100000754278_100011216346 [0,1,0,1,0,0|1,0,0]=3 22075 B14R1.3354 CCOC(=O)C(C)N1CCC[C@@H]1CO 2230a_100000745186_100011215307 [0,1,0,1,0,0|2,0,0]=4 22076 B14R1.3354 CCOC(=O)C(C)N1CCC[C@@H]1CO 269982a_100000745186_100011216346 [0,1,0,1,0,0|2,0,0]=4 22077 B14R1.3354 CCOC(=O)C(C)N1CCC[C@@H]1CO 34a_100000745186_100011216346 [0,1,0,1,0,0|2,0,0]=4 22078 B14R1.3354 CCOC(=O)C(F)N1CCCC1CC 2230a_100000754278_100000760018 [0,1,0,1,0,0|1,0,0]=3 22079 B14R1.3354 CCOC(=O)C(F)N1CCCC1CC 269982a_100000754278_100000760018 [0,1,0,1,0,0|1,0,0]=3 22080 B14R1.3354 CCOC(=O)C(F)N1CCCC1CC 34a_100000754278_100000760018 [0,1,0,1,0,0|1,0,0]=3 22081 B14R1.3354 CCOC(=O)C(F)N1CCC[C@@H]1CO 2230a_100000745186_100000760018 [0,1,0,1,0,0|2,0,0]=4 22082 B14R1.3354 CCOC(=O)C(F)N1CCC[C@@H]1CO 269982a_100000745186_100000760018 [0,1,0,1,0,0|2,0,0]=4 22083 B14R1.3354 CCOC(=O)C(F)N1CCC[C@@H]1CO 34a_100000745186_100000760018 [0,1,0,1,0,0|2,0,0]=4 22084 B14R1.3356 C=C(CN1CCC[C@@H]1C)C(=O)OCC 269982a_100020605311_100000755967 [0,1,0,1,0,0|1,0,1]=4 22085 B14R1.3356 C=C(CN1CCC[C@H]1C)C(=O)OCC 269982a_100015189458_100000755967 [0,1,0,1,0,0|1,0,1]=4 22086 B14R1.3356 C=C(CN1CCC[C@H]1C)C(=O)OCC 34a_100015189458_100000755967 [0,1,0,1,0,0|1,0,1]=4 22087 B14R1.3356 CCNC(=O)C(C)OC1CCCC1C 34a_100011216460_100000230173 [0,1,0,1,0,0|2,0,0]=4 22088 B14R1.3356 CCNC(=O)C(C)OC1CCCC1C 7a_100011216460_100000230173 [0,1,0,1,0,0|2,0,0]=4 22089 B14R1.3356 CCOC(=O)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000211299 [0,1,0,1,0,0|1,0,1]=4 22090 B14R1.3356 CCOC(=O)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100000211299 [0,1,0,1,0,0|1,0,1]=4 22091 B14R1.3356 CCOC(=O)C(C)OC1CCCC1C 34a_100011216460_100011216346 [0,1,0,1,0,0|1,0,0]=3 22092 B14R1.3356 CCOC(=O)C(C)OC1CCCC1C 7a_100011216460_100011216346 [0,1,0,1,0,0|1,0,0]=3 22093 B14R1.3356 CCOC(=O)C(C)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011216346 [0,1,0,1,0,0|2,0,0]=4 22094 B14R1.3356 CCOC(=O)C(C)O[C@H]1CCC[C@@H]1N 34a_100000748460_100011216346 [0,1,0,1,0,0|2,0,0]=4 22095 B14R1.3356 CCOC(=O)C(C)O[C@H]1CNC[C@H]1C 34a_200015306588_100011216346 [0,1,0,1,0,0|2,0,0]=4 22096 B14R1.3356 CCOC(=O)C(C)S[C@@H]1CCC[C@H]1O 62a_100011216346_200016002552 [0,1,0,1,0,0|2,0,0]=4 22097 B14R1.3356 CCOC(=O)C(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100011216346 [0,1,0,1,0,0|2,0,0]=4 22098 B14R1.3356 CCOC(=O)C(F)OC1CCCC1C 34a_100011216460_100000760018 [0,1,0,1,0,0|1,0,0]=3 22099 B14R1.3356 CCOC(=O)C(F)OC1CCCC1C 7a_100011216460_100000040065 [0,1,0,1,0,0|1,0,0]=3 22100 B14R1.3356 CCOC(=O)C(F)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000760018 [0,1,0,1,0,0|2,0,0]=4 22101 B14R1.3356 CCOC(=O)C(F)O[C@H]1CCC[C@@H]1N 34a_100000748460_100000760018 [0,1,0,1,0,0|2,0,0]=4 22102 B14R1.3356 CCOC(=O)C(F)O[C@H]1CNC[C@H]1C 34a_200015306588_100000760018 [0,1,0,1,0,0|2,0,0]=4 22103 B14R1.3356 CCOC(=O)C(F)S[C@@H]1CCC[C@H]1O 62a_100000760018_200016002552 [0,1,0,1,0,0|2,0,0]=4 22104 B14R1.3356 CCOC(=O)C(F)S[C@@H]1CCC[C@H]1O 62a_200016002552_100000760018 [0,1,0,1,0,0|2,0,0]=4 22105 B14R1.5160 CCOC(=O)C(C)N1CCC1COC 2230a_100015195929_100011215307 [0,1,0,1,0,0|2,0,0]=4 22106 B14R1.5160 CCOC(=O)C(C)N1CCC1COC 269982a_100015195929_100011216346 [0,1,0,1,0,0|2,0,0]=4 22107 B14R1.5160 CCOC(=O)C(C)N1CCC1COC 34a_100015195929_100011216346 [0,1,0,1,0,0|2,0,0]=4 22108 B14R1.5160 CCOC(=O)C(F)N1CCC1COC 2230a_100015195929_100000760018 [0,1,0,1,0,0|2,0,0]=4 22109 B14R1.5160 CCOC(=O)C(F)N1CCC1COC 269982a_100015195929_100000760018 [0,1,0,1,0,0|2,0,0]=4 22110 B14R1.5160 CCOC(=O)C(F)N1CCC1COC 34a_100015195929_100000760018 [0,1,0,1,0,0|2,0,0]=4 22111 B14R1.7352 C=C(COCC1CC1C)C(=O)OCC 34a_100000744939_100000755967 [0,1,0,1,0,0|1,0,1]=4 22112 B14R1.7352 C=C(COCC1CC1C)C(=O)OCC 7a_100000744939_100000755967 [0,1,0,1,0,0|1,0,1]=4 22113 B14R1.7353 C=C(CNCC1CCC1)C(=O)OCC 34a_100000738700_100000755967 [0,1,0,1,0,0|1,0,1]=4 22114 B14R1.7353 C=C(COCC1CCC1)C(=O)OCC 34a_100000760304_100000755967 [0,1,0,1,0,0|1,0,1]=4 22115 B14R1.7353 C=C(CSCC1CCC1)C(=O)OCC 62a_100000755967_100000763275 [0,1,0,1,0,0|1,0,1]=4 22116 B14R1.7353 C=C(CSCC1CCC1)C(=O)OCC 62a_100000763275_100000755967 [0,1,0,1,0,0|1,0,1]=4 22117 B14R1.7353 CCOC(=O)C(=O)CSCC1CCC1 62a_100000211299_100000763275 [0,1,0,1,0,0|1,0,1]=4 22118 B14R1.7353 CCOC(=O)C(=O)CSCC1CCC1 62a_100000763275_100000211299 [0,1,0,1,0,0|1,0,1]=4 22119 B14R1.7353 CCOC(=O)C(C)OCCC1COC1 34a_100009855314_100011216346 [0,1,0,1,0,0|2,0,0]=4 22120 B14R1.7353 CCOC(=O)C(F)OCCC1COC1 34a_100009855314_100000760018 [0,1,0,1,0,0|2,0,0]=4 22121 B14R1.7354 C=C(CNCCC1CC1)C(=O)OCC 34a_100000764129_100000755967 [0,1,0,1,0,0|1,0,1]=4 22122 B14R1.7354 C=C(COCCC1CC1)C(=O)OCC 34a_100000754188_100000755967 [0,1,0,1,0,0|1,0,1]=4 22123 B14R1.7354 C=C(COCCC1CC1)C(=O)OCC 7a_100000754188_100000755967 [0,1,0,1,0,0|1,0,1]=4 22124 B14R1.7354 C=C(CSCCC1CC1)C(=O)OCC 62a_100000755967_100000764125 [0,1,0,1,0,0|1,0,1]=4 22125 B14R1.7354 C=C(CSCCC1CC1)C(=O)OCC 62a_100000764125_100000755967 [0,1,0,1,0,0|1,0,1]=4 22126 B14R1.7354 CCOC(=O)C(=O)CSCCC1CC1 62a_100000211299_100000764125 [0,1,0,1,0,0|1,0,1]=4 22127 B14R1.7354 CCOC(=O)C(=O)CSCCC1CC1 62a_100000764125_100000211299 [0,1,0,1,0,0|1,0,1]=4 22128 B14R1.7354 CCOC(=O)C(C)OCCNC1CC1 34a_100000738766_100011216346 [0,1,0,1,0,0|2,0,0]=4 22129 B14R1.7354 CCOC(=O)C(C)SCCCC1CO1 62a_100000733510_100011216346 [0,1,0,1,0,0|2,0,0]=4 22130 B14R1.7354 CCOC(=O)C(C)SCCCC1CO1 62a_100011216346_100000733510 [0,1,0,1,0,0|2,0,0]=4 22131 B14R1.7354 CCOC(=O)C(F)OCCNC1CC1 34a_100000738766_100000760018 [0,1,0,1,0,0|2,0,0]=4 22132 B14R1.7354 CCOC(=O)C(F)SCCCC1CO1 62a_100000733510_100000760018 [0,1,0,1,0,0|2,0,0]=4 22133 B14R1.7354 CCOC(=O)C(F)SCCCC1CO1 62a_100000760018_100000733510 [0,1,0,1,0,0|2,0,0]=4 22134 B14R1.7354 CCOC(=O)[C@H](C)OCCCC1CO1 7a_100000751109_100000733510 [0,1,0,1,0,0|2,0,0]=4 22135 B14R1.10397 CCCC(=O)C(C)N1CCCCCC1 1458a_100000755792_100000210303 [0,1,0,1,0,0|2,0,0]=4 22136 B14R1.10397 CCCC(=O)N(C)C1CCCCCC1 11a_100015185097_100000211992 [0,1,0,1,0,0|2,0,0]=4 22137 B14R1.10397 CCCC(=O)N(C)C1CCCCCC1 1626a_100015185097_100000211992 [0,1,0,1,0,0|2,0,0]=4 22138 B14R1.10397 CCCC(=O)N(C)C1CCCCCC1 240690a_100015185097_100000211992 [0,1,0,1,0,0|2,0,0]=4 22139 B14R1.10397 CCCC(=O)N(C)C1CCCCCC1 527a_100015185097_100000211992 [0,1,0,1,0,0|2,0,0]=4 22140 B14R1.10397 CCNC(=O)C(=O)C1CCCCCC1 1458a_200011297158_100011217769 [0,1,0,1,0,0|1,0,1]=4 22141 B14R1.10397 CCNC(=O)C(C)N1CCCCCC1 2230a_100000185865_100000230173 [0,1,0,1,0,0|2,0,0]=4 22142 B14R1.10397 CCNC(=O)C(C)N1CCCCCC1 240690a_100015525214_100000755792 [0,1,0,1,0,0|2,0,0]=4 22143 B14R1.10397 CCNC(=O)C(C)N1CCCCCC1 269982a_100000185865_100000230173 [0,1,0,1,0,0|2,0,0]=4 22144 B14R1.10397 CCNC(=O)C(C)N1CCCCCC1 34a_100000185865_100000230173 [0,1,0,1,0,0|2,0,0]=4 22145 B14R1.10397 CCNC(=O)C(C)N1CCCCCC1 527a_100015525214_100000755792 [0,1,0,1,0,0|2,0,0]=4 22146 B14R1.10397 CCNC(=O)N(C)C1CCCCCC1 2708a_100015525214_100015185097 [0,1,0,1,0,0|2,0,0]=4 22147 B14R1.10397 CCNC(=O)N(C)C1CCCCCC1 273464a_100015525214_100015185097 [0,1,0,1,0,0|2,0,0]=4 22148 B14R1.10397 CCOC(=O)C(=O)N1CCCCCC1 11a_100000185865_100014798877 [0,1,0,1,0,0|1,0,1]=4 22149 B14R1.10397 CCOC(=O)C(=O)N1CCCCCC1 1626a_100000185865_100014798877 [0,1,0,1,0,0|1,0,1]=4 22150 B14R1.10397 CCOC(=O)C(=O)N1CCCCCC1 240690a_100000185865_100014798877 [0,1,0,1,0,0|1,0,1]=4 22151 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 2230a_100000185865_100011215307 [0,1,0,1,0,0|1,0,0]=3 22152 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 269982a_100000185865_100011216346 [0,1,0,1,0,0|1,0,0]=3 22153 B14R1.10397 CCOC(=O)C(C)N1CCCCCC1 34a_100000185865_100011216346 [0,1,0,1,0,0|1,0,0]=3 22154 B14R1.10397 CCOC(=O)C(C)N1CCCOCC1 2230a_100000685342_100011215307 [0,1,0,1,0,0|2,0,0]=4 22155 B14R1.10397 CCOC(=O)C(C)N1CCCOCC1 269982a_100000685342_100011216346 [0,1,0,1,0,0|2,0,0]=4 22156 B14R1.10397 CCOC(=O)C(C)N1CCCOCC1 34a_100000685342_100011216346 [0,1,0,1,0,0|2,0,0]=4 22157 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 2230a_100000185865_100000760018 [0,1,0,1,0,0|1,0,0]=3 22158 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 269982a_100000185865_100000760018 [0,1,0,1,0,0|1,0,0]=3 22159 B14R1.10397 CCOC(=O)C(F)N1CCCCCC1 34a_100000185865_100000760018 [0,1,0,1,0,0|1,0,0]=3 22160 B14R1.10397 CCOC(=O)C(F)N1CCCOCC1 2230a_100000685342_100000760018 [0,1,0,1,0,0|2,0,0]=4 22161 B14R1.10397 CCOC(=O)C(F)N1CCCOCC1 269982a_100000685342_100000760018 [0,1,0,1,0,0|2,0,0]=4 22162 B14R1.10397 CCOC(=O)C(F)N1CCCOCC1 34a_100000685342_100000760018 [0,1,0,1,0,0|2,0,0]=4 22163 B14R1.29 CCCC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000747444 [0,1,0,1,0,0|1,0,1]=4 22164 B14R1.29 CCCC(=O)CC(=O)C1CCCCC1 1458a_100000211992_100000241979 [0,1,0,1,0,0|1,0,1]=4 22165 B14R1.29 CCCC(=O)CC(C)N1CCCCC1 1458a_100015187720_100000210303 [0,1,0,1,0,0|2,0,0]=4 22166 B14R1.29 CCCC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000747444 [0,1,0,1,0,0|2,0,0]=4 22167 B14R1.29 CCCC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000747444 [0,1,0,1,0,0|2,0,0]=4 22168 B14R1.29 CCCC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100000211992 [0,1,0,1,0,0|2,0,0]=4 22169 B14R1.29 CCCC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100000211992 [0,1,0,1,0,0|2,0,0]=4 22170 B14R1.29 CCCC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100000211992 [0,1,0,1,0,0|2,0,0]=4 22171 B14R1.29 CCCC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100000211992 [0,1,0,1,0,0|2,0,0]=4 22172 B14R1.29 CCNC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000183381 [0,1,0,1,0,0|1,0,1]=4 22173 B14R1.29 CCNC(=O)CC(C)N1CCCCC1 240690a_100015525214_100015187720 [0,1,0,1,0,0|2,0,0]=4 22174 B14R1.29 CCNC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000183381 [0,1,0,1,0,0|2,0,0]=4 22175 B14R1.29 CCNC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000183381 [0,1,0,1,0,0|2,0,0]=4 22176 B14R1.29 CCNC(=O)CN(C)C1CCCCC1 269982a_100000741943_100000210327 [0,1,0,1,0,0|2,0,0]=4 22177 B14R1.29 CCNC(=O)CN(C)C1CCCCC1 270004a_100000741943_100000210434 [0,1,0,1,0,0|2,0,0]=4 22178 B14R1.29 CCNC(=O)CN(C)C1CCCCC1 34a_100000207522_100000183381 [0,1,0,1,0,0|2,0,0]=4 22179 B14R1.29 CCNC(=O)N[C@H](C)C1CCCCC1 2708a_100015525214_100025707633 [0,1,0,1,0,0|2,0,0]=4 22180 B14R1.29 CCNC(=O)N[C@H](C)C1CCCCC1 2708a_100025707633_100015525214 [0,1,0,1,0,0|2,0,0]=4 22181 B14R1.29 CCNC(=O)N[C@H](C)C1CCCCC1 273464a_100015525214_100025707633 [0,1,0,1,0,0|2,0,0]=4 22182 B14R1.29 CCNC(=O)N[C@H](C)C1CCCCC1 273464a_100025707633_100015525214 [0,1,0,1,0,0|2,0,0]=4 22183 B14R1.29 CCNC(=O)N[C@H](C)C1CCCCC1 512a_100015525214_100025707633 [0,1,0,1,0,0|2,0,0]=4 22184 B14R1.29 CCNC(=O)N[C@H](C)C1CCCCC1 512a_100025707633_100015525214 [0,1,0,1,0,0|2,0,0]=4 22185 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000188475 [0,1,0,1,0,0|0,0,1]=3 22186 B14R1.29 CCOC(=O)CC(=O)C1CCCCC1 1458a_100000243816_100000210327 [0,1,0,1,0,0|0,0,1]=3 22187 B14R1.29 CCOC(=O)CC(=O)C1CCCCO1 1458a_100000748299_100000188475 [0,1,0,1,0,0|1,0,1]=4 22188 B14R1.29 CCOC(=O)CC(=O)C1CCCOC1 1458a_100000243816_100000693364 [0,1,0,1,0,0|1,0,1]=4 22189 B14R1.29 CCOC(=O)CC(=O)C1CCCOC1 1458a_100000741522_100000188475 [0,1,0,1,0,0|1,0,1]=4 22190 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 1458a_100000195482_100000188475 [0,1,0,1,0,0|1,0,1]=4 22191 B14R1.29 CCOC(=O)CC(=O)C1CCOCC1 1458a_100000243816_100011324220 [0,1,0,1,0,0|1,0,1]=4 22192 B14R1.29 CCOC(=O)CC(=O)C1CCSCC1 1458a_100000755232_100000188475 [0,1,0,1,0,0|1,0,1]=4 22193 B14R1.29 CCOC(=O)CC(C)N1CCCOC1 2230a_100000131196_100009817359 [0,1,0,1,0,0|2,0,0]=4 22194 B14R1.29 CCOC(=O)CC(C)N1CCCOC1 269982a_100000131196_100009817359 [0,1,0,1,0,0|2,0,0]=4 22195 B14R1.29 CCOC(=O)CC(C)N1CCOCC1 2230a_100015191051_100009817359 [0,1,0,1,0,0|2,0,0]=4 22196 B14R1.29 CCOC(=O)CC(C)N1CCOCC1 269982a_100015191051_100009817359 [0,1,0,1,0,0|2,0,0]=4 22197 B14R1.29 CCOC(=O)CC(C)N1CCSCC1 2230a_100000737611_100009817359 [0,1,0,1,0,0|2,0,0]=4 22198 B14R1.29 CCOC(=O)CC(C)N1CCSCC1 269982a_100000737611_100009817359 [0,1,0,1,0,0|2,0,0]=4 22199 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 2230a_100000207522_100000188475 [0,1,0,1,0,0|1,0,0]=3 22200 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 269982a_100000207522_100000188475 [0,1,0,1,0,0|1,0,0]=3 22201 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 270004a_100000220588_100000210434 [0,1,0,1,0,0|1,0,0]=3 22202 B14R1.29 CCOC(=O)CN(C)C1CCCCC1 34a_100000207522_100000188475 [0,1,0,1,0,0|1,0,0]=3 22203 B14R1.29 CCOC(=O)CN(C)C1CCCOC1 270004a_100000220588_100000753404 [0,1,0,1,0,0|2,0,0]=4 22204 B14R1.29 CCOC(=O)CN(C)C1CCCSC1 270004a_100000220588_100000057913 [0,1,0,1,0,0|2,0,0]=4 22205 B14R1.29 CCOC(=O)CN(C)C1CCNCC1 270004a_100000220588_100015192401 [0,1,0,1,0,0|2,0,0]=4 22206 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 2230a_100020587155_100000188475 [0,1,0,1,0,0|2,0,0]=4 22207 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 269982a_100020587155_100000188475 [0,1,0,1,0,0|2,0,0]=4 22208 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 270004a_100000220588_100011217826 [0,1,0,1,0,0|2,0,0]=4 22209 B14R1.29 CCOC(=O)CN(C)C1CCOCC1 34a_100020587155_100000188475 [0,1,0,1,0,0|2,0,0]=4 22210 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 2230a_100015184757_100000188475 [0,1,0,1,0,0|2,0,0]=4 22211 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 269982a_100015184757_100000188475 [0,1,0,1,0,0|2,0,0]=4 22212 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 270004a_100000220588_100000203788 [0,1,0,1,0,0|2,0,0]=4 22213 B14R1.29 CCOC(=O)CN(C)C1CCSCC1 34a_100015184757_100000188475 [0,1,0,1,0,0|2,0,0]=4 22214 B14R1.226 CCCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210326 [0,1,0,1,0,0|2,0,0]=4 22215 B14R1.226 CCCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000718602 [0,1,0,1,0,0|2,0,0]=4 22216 B14R1.226 CCCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210211 [0,1,0,1,0,0|2,0,0]=4 22217 B14R1.226 CCCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210210 [0,1,0,1,0,0|2,0,0]=4 22218 B14R1.226 CCCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210210 [0,1,0,1,0,0|2,0,0]=4 22219 B14R1.226 CCCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210211 [0,1,0,1,0,0|2,0,0]=4 22220 B14R1.621 CCCC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000747444 [0,1,0,1,0,0|1,0,1]=4 22221 B14R1.621 CCNC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000183381 [0,1,0,1,0,0|1,0,1]=4 22222 B14R1.621 CCNC(=O)CN(C)CC1CCCC1 2230a_100000741943_100000740388 [0,1,0,1,0,0|2,0,0]=4 22223 B14R1.621 CCNC(=O)CN(C)CC1CCCC1 269982a_100000741943_100000740388 [0,1,0,1,0,0|2,0,0]=4 22224 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000188475 [0,1,0,1,0,0|0,0,1]=3 22225 B14R1.621 CCOC(=O)CC(=O)CC1CCCC1 1458a_100000243816_100000740388 [0,1,0,1,0,0|0,0,1]=3 22226 B14R1.621 CCOC(=O)CC(=O)CC1CCCO1 1458a_100000243816_100000203698 [0,1,0,1,0,0|1,0,1]=4 22227 B14R1.621 CCOC(=O)CC(=O)CC1CCOC1 1458a_100000243816_100000702531 [0,1,0,1,0,0|1,0,1]=4 22228 B14R1.621 CCOC(=O)CC(=O)CC1CCOC1 1458a_100011218419_100000188475 [0,1,0,1,0,0|1,0,1]=4 22229 B14R1.621 CCOC(=O)CC(=O)CN1CCCC1 1458a_100000740243_100000188475 [0,1,0,1,0,0|1,0,1]=4 22230 B14R1.621 CCOC(=O)CC(=O)CN1CCCC1 269982a_100000188435_100000210311 [0,1,0,1,0,0|1,0,1]=4 22231 B14R1.621 CCOC(=O)CC(=O)NC1CCCC1 240690a_100000211070_100000243816 [0,1,0,1,0,0|1,0,1]=4 22232 B14R1.621 CCOC(=O)CC(C)NC1CCCC1 2230a_100000211070_100009817359 [0,1,0,1,0,0|1,0,0]=3 22233 B14R1.621 CCOC(=O)CC(C)N[C@@H]1CCOC1 2230a_200015188469_100009817359 [0,1,0,1,0,0|2,0,0]=4 22234 B14R1.621 CCOC(=O)CC(C)N[C@H]1CCOC1 2230a_100015188467_100009817359 [0,1,0,1,0,0|2,0,0]=4 22235 B14R1.621 CCOC(=O)CC(C)OC1CCCC1 7a_100000210269_100009817359 [0,1,0,1,0,0|1,0,0]=3 22236 B14R1.621 CCOC(=O)CC(C)OC1CCSC1 7a_100011232664_100009817359 [0,1,0,1,0,0|2,0,0]=4 22237 B14R1.621 CCOC(=O)CC(C)SC1CCCC1 62a_100009817359_100000179811 [0,1,0,1,0,0|1,0,0]=3 22238 B14R1.621 CCOC(=O)CC(C)SC1CCCC1 62a_100011217020_100009817359 [0,1,0,1,0,0|1,0,0]=3 22239 B14R1.621 CCOC(=O)CC(C)SC1CCOC1 62a_100009817359_100000690089 [0,1,0,1,0,0|2,0,0]=4 22240 B14R1.621 CCOC(=O)CN(C)CC1CCCC1 2230a_100000220588_100000740388 [0,1,0,1,0,0|1,0,0]=3 22241 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 2230a_100000220588_100000203698 [0,1,0,1,0,0|2,0,0]=4 22242 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 2230a_100102946541_100000188475 [0,1,0,1,0,0|2,0,0]=4 22243 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 269982a_100102946541_100000188475 [0,1,0,1,0,0|2,0,0]=4 22244 B14R1.621 CCOC(=O)CN(C)CC1CCCO1 34a_100102946541_100000188475 [0,1,0,1,0,0|2,0,0]=4 22245 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 2230a_100000220588_100000702531 [0,1,0,1,0,0|2,0,0]=4 22246 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 2230a_100000684583_100000188475 [0,1,0,1,0,0|2,0,0]=4 22247 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 269982a_100000684583_100000188475 [0,1,0,1,0,0|2,0,0]=4 22248 B14R1.621 CCOC(=O)CN(C)CC1CCOC1 34a_100000684583_100000188475 [0,1,0,1,0,0|2,0,0]=4 22249 B14R1.621 CCOC(=O)C[C@@H](C)OC1CCCC1 7a_100009816390_100000179811 [0,1,0,1,0,0|1,0,0]=3 22250 B14R1.621 CCOC(=O)C[C@@H](C)OC1CCOC1 7a_100009816390_100000731011 [0,1,0,1,0,0|2,0,0]=4 22251 B14R1.621 CCOC(=O)C[C@H](O)CN1CCCC1 269982a_100000188435_100000688340 [0,1,0,1,0,0|1,0,0]=3 22252 B14R1.621 CCOC(=O)C[C@H](O)CN1CCSC1 269982a_100011215254_100000688340 [0,1,0,1,0,0|2,0,0]=4 22253 B14R1.621 CCOC(=O)OC(C)SC1CCCC1 62a_100000036008_100000179811 [0,1,0,1,0,0|2,0,0]=4 22254 B14R1.621 CCOC(=O)OC(C)SC1CCCC1 62a_100011217020_100000036008 [0,1,0,1,0,0|2,0,0]=4 22255 B14R1.2672 CCCC(=O)NC1(CCCCCC1)C 11a_100000704638_100000211992 [0,1,0,1,0,0|2,0,0]=4 22256 B14R1.2672 CCCC(=O)NC1(CCCCCC1)C 1626a_100000704638_100000211992 [0,1,0,1,0,0|2,0,0]=4 22257 B14R1.2672 CCCC(=O)NC1(CCCCCC1)C 240690a_100000704638_100000211992 [0,1,0,1,0,0|2,0,0]=4 22258 B14R1.2672 CCCC(=O)NC1(CCCCCC1)C 527a_100000704638_100000211992 [0,1,0,1,0,0|2,0,0]=4 22259 B14R1.2672 CCNC(=O)NC1(CCCCCC1)C 2708a_100015525214_100000704638 [0,1,0,1,0,0|2,0,0]=4 22260 B14R1.2672 CCNC(=O)NC1(CCCCCC1)C 273464a_100000704638_100015525214 [0,1,0,1,0,0|2,0,0]=4 22261 B14R1.2672 CCNC(=O)NC1(CCCCCC1)C 273464a_100015525214_100000704638 [0,1,0,1,0,0|2,0,0]=4 22262 B14R1.2672 CCNC(=O)NC1(CCCCCC1)C 512a_100000704638_100015525214 [0,1,0,1,0,0|2,0,0]=4 22263 B14R1.3242 CCCC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000747444 [0,1,0,1,0,0|1,0,1]=4 22264 B14R1.3242 CCNC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000183381 [0,1,0,1,0,0|1,0,1]=4 22265 B14R1.3242 CCOC(=O)CC(=O)C1CCCC1C 1458a_100000690547_100000188475 [0,1,0,1,0,0|0,0,1]=3 22266 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000243816 [0,1,0,1,0,0|1,0,1]=4 22267 B14R1.3242 CCOC(=O)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000243816 [0,1,0,1,0,0|1,0,1]=4 22268 B14R1.3242 CCOC(=O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000188475 [0,1,0,1,0,0|1,0,1]=4 22269 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@@H]1C 2230a_100020605311_100009817359 [0,1,0,1,0,0|1,0,0]=3 22270 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@@H]1C 269982a_100020605311_100009817359 [0,1,0,1,0,0|1,0,0]=3 22271 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@H]1C 2230a_100015189458_100009817359 [0,1,0,1,0,0|1,0,0]=3 22272 B14R1.3242 CCOC(=O)CC(C)N1CCC[C@H]1C 269982a_100015189458_100009817359 [0,1,0,1,0,0|1,0,0]=3 22273 B14R1.3242 CCOC(=O)CC(C)N1CCSC1C 2230a_200011216479_100009817359 [0,1,0,1,0,0|2,0,0]=4 22274 B14R1.3242 CCOC(=O)CC(C)N1CCSC1C 269982a_200011216479_100009817359 [0,1,0,1,0,0|2,0,0]=4 22275 B14R1.3242 CCOC(=O)CN(C)C1CCOC1C 270004a_100000220588_100000691750 [0,1,0,1,0,0|2,0,0]=4 22276 B14R1.3242 CCOC(=O)OC(C)N1CCC[C@@H]1C 269982a_100020605311_100000036008 [0,1,0,1,0,0|2,0,0]=4 22277 B14R1.3242 CCOC(=O)OC(C)N1CCC[C@H]1C 269982a_100015189458_100000036008 [0,1,0,1,0,0|2,0,0]=4 22278 B14R1.3360 CCCCCCC(=O)C1CCCC1=O 1458a_100102632555_100000211823 [0,1,0,1,0,0|1,0,1]=4 22279 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,1,0,0|0,0,1]=3 22280 B14R1.3360 CCCCCCN(C)C1CCCC1=O 2230a_106256046315_100000211823 [0,1,0,1,0,0|2,0,0]=4 22281 B14R1.3360 CCCCCCN(C)C1CCCC1=O 269982a_106256046315_100000211823 [0,1,0,1,0,0|2,0,0]=4 22282 B14R1.3360 CCCCCCN(C)C1CCOC1=O 2230a_106256046315_100000211211 [0,1,0,1,0,0|1,0,0]=3 22283 B14R1.3360 CCCCCCN(C)C1CCOC1=O 269982a_106256046315_100000211211 [0,1,0,1,0,0|1,0,0]=3 22284 B14R1.3360 CCCCOCC(=O)C1CCOC1=O 1458a_100000757543_100000211211 [0,1,0,1,0,0|1,0,1]=4 22285 B14R1.3360 CCCCSCC(=O)C1CCOC1=O 1458a_100000191162_100000211211 [0,1,0,1,0,0|1,0,1]=4 22286 B14R1.3360 CN(CCCCCO)C1CCOC1=O 2230a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 22287 B14R1.3360 CN(CCCCCO)C1CCOC1=O 269982a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 22288 B14R1.3360 O=C(CCCCCO)C1CCOC1=O 1458a_100102619762_100000211211 [0,1,0,1,0,0|1,0,1]=4 22289 B14R1.5456 CCCN1CC[C@@H](C1)CC(=O)OCC 2230a_106256037354_100000210303 [0,1,0,1,0,0|1,0,0]=3 22290 B14R1.5456 CCCN1CC[C@@H](C1)CC(=O)OCC 269982a_106256037354_100000210303 [0,1,0,1,0,0|1,0,0]=3 22291 B14R1.5456 CCOC(=O)CN1CCC(C1)CCO 2230a_100016987287_100000188475 [0,1,0,1,0,0|2,0,0]=4 22292 B14R1.5456 CCOC(=O)CN1CCC(C1)CCO 269982a_100016987287_100000188475 [0,1,0,1,0,0|2,0,0]=4 22293 B14R1.5456 CCOC(=O)CN1CCC(C1)CCO 34a_100016987287_100000188475 [0,1,0,1,0,0|2,0,0]=4 22294 B14R1.5456 CCOC(=O)CN1CCC(C1)COC 2230a_100025706693_100000188475 [0,1,0,1,0,0|2,0,0]=4 22295 B14R1.5456 CCOC(=O)CN1CCC(C1)COC 269982a_100025706693_100000188475 [0,1,0,1,0,0|2,0,0]=4 22296 B14R1.5456 CCOC(=O)CN1CCC(C1)COC 34a_100025706693_100000188475 [0,1,0,1,0,0|2,0,0]=4 22297 B14R1.5456 CCOC(=O)CN1CC[C@@H](C1)OCC 2230a_100011787710_100000188475 [0,1,0,1,0,0|2,0,0]=4 22298 B14R1.5456 CCOC(=O)CN1CC[C@@H](C1)OCC 269982a_100011787710_100000188475 [0,1,0,1,0,0|2,0,0]=4 22299 B14R1.5456 CCOC(=O)CN1CC[C@@H](C1)OCC 34a_100011787710_100000188475 [0,1,0,1,0,0|2,0,0]=4 22300 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCF 2230a_106256037354_100011217306 [0,1,0,1,0,0|2,0,0]=4 22301 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCF 269982a_106256037354_100011217306 [0,1,0,1,0,0|2,0,0]=4 22302 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCO 2230a_106256037354_100000211926 [0,1,0,1,0,0|2,0,0]=4 22303 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CCO 269982a_106256037354_100000211926 [0,1,0,1,0,0|2,0,0]=4 22304 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)COC 2230a_106256037354_100000766300 [0,1,0,1,0,0|2,0,0]=4 22305 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)COC 269982a_106256037354_100000766300 [0,1,0,1,0,0|2,0,0]=4 22306 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CSC 2230a_106256037354_100011218213 [0,1,0,1,0,0|2,0,0]=4 22307 B14R1.5456 CCOC(=O)C[C@H]1CCN(C1)CSC 269982a_106256037354_100011218213 [0,1,0,1,0,0|2,0,0]=4 22308 B14R1.6567 CCCCCCC(=O)CC(=O)C1CC1 1458a_100102632555_100000746382 [0,1,0,1,0,0|1,0,1]=4 22309 B14R1.6567 CCCCCCC(C)NC(=O)C1CC1 11a_100000210919_100000210395 [0,1,0,1,0,0|2,0,0]=4 22310 B14R1.6567 CCCCCCC(C)NC(=O)C1CC1 1626a_100000210919_100000210395 [0,1,0,1,0,0|2,0,0]=4 22311 B14R1.6567 CCCCCCC(C)NC(=O)C1CC1 240690a_100000210919_100000210395 [0,1,0,1,0,0|2,0,0]=4 22312 B14R1.6567 CCCCCCC(C)NC(=O)C1CC1 527a_100000210919_100000210395 [0,1,0,1,0,0|2,0,0]=4 22313 B14R1.6567 CCCCCCN(C)CC(=O)C1CC1 2230a_106256046315_100000746382 [0,1,0,1,0,0|2,0,0]=4 22314 B14R1.6567 CCCCCCN(C)CC(=O)C1CC1 269982a_106256046315_100000746382 [0,1,0,1,0,0|2,0,0]=4 22315 B14R1.7236 CCOC(=O)CC(C)OCC1CC1C 7a_100000744939_100009817359 [0,1,0,1,0,0|1,0,0]=3 22316 B14R1.7236 CCOC(=O)C[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000688340 [0,1,0,1,0,0|2,0,0]=4 22317 B14R1.7237 CCOC(=O)CC(=O)CSC1CCC1 62a_100000210311_100000749161 [0,1,0,1,0,0|1,0,1]=4 22318 B14R1.7237 CCOC(=O)CC(=O)NCC1CCC1 240690a_100000738700_100000243816 [0,1,0,1,0,0|1,0,1]=4 22319 B14R1.7237 CCOC(=O)CC(C)NCC1CCC1 2230a_100000738700_100009817359 [0,1,0,1,0,0|1,0,0]=3 22320 B14R1.7237 CCOC(=O)CC(C)NCC1COC1 2230a_100015281925_100009817359 [0,1,0,1,0,0|2,0,0]=4 22321 B14R1.7237 CCOC(=O)CC(C)NC[C@@H]1CCO1 2230a_100020831831_100009817359 [0,1,0,1,0,0|2,0,0]=4 22322 B14R1.7237 CCOC(=O)CC(C)SCC1CCC1 62a_100000763275_100009817359 [0,1,0,1,0,0|1,0,0]=3 22323 B14R1.7237 CCOC(=O)CC(C)SCC1CCC1 62a_100009817359_100000763275 [0,1,0,1,0,0|1,0,0]=3 22324 B14R1.7237 CCOC(=O)CC(C)SCC1CCO1 62a_100000103362_100009817359 [0,1,0,1,0,0|2,0,0]=4 22325 B14R1.7237 CCOC(=O)CC(C)SCC1CCO1 62a_100009817359_100000103362 [0,1,0,1,0,0|2,0,0]=4 22326 B14R1.7237 CCOC(=O)CC(C)SCC1COC1 62a_100009817359_100010264016 [0,1,0,1,0,0|2,0,0]=4 22327 B14R1.7237 CCOC(=O)CC(C)SCC1COC1 62a_100010264016_100009817359 [0,1,0,1,0,0|2,0,0]=4 22328 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1CCC1 7a_100009816390_100000763275 [0,1,0,1,0,0|1,0,0]=3 22329 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1CCO1 7a_100009816390_100000103362 [0,1,0,1,0,0|2,0,0]=4 22330 B14R1.7237 CCOC(=O)C[C@@H](C)OCC1COC1 7a_100009816390_100010264016 [0,1,0,1,0,0|2,0,0]=4 22331 B14R1.7237 CCOC(=O)C[C@H](O)CNC1CCC1 34a_100000749019_100000688340 [0,1,0,1,0,0|1,0,0]=3 22332 B14R1.7237 CCOC(=O)C[C@H](O)COC1CCC1 34a_100000748187_100000688340 [0,1,0,1,0,0|1,0,0]=3 22333 B14R1.7237 CCOC(=O)C[C@H](O)COC1CSC1 7a_100000072292_100000688340 [0,1,0,1,0,0|2,0,0]=4 22334 B14R1.7237 CCOC(=O)C[C@H](O)CSC1CCC1 62a_100000688340_100000749161 [0,1,0,1,0,0|1,0,0]=3 22335 B14R1.7237 CCOC(=O)C[C@H](O)CSC1COC1 62a_100000688340_100009818527 [0,1,0,1,0,0|2,0,0]=4 22336 B14R1.7237 CCOC(=O)OC(C)SCC1CCC1 62a_100000036008_100000763275 [0,1,0,1,0,0|2,0,0]=4 22337 B14R1.7237 CCOC(=O)OC(C)SCC1CCC1 62a_100000763275_100000036008 [0,1,0,1,0,0|2,0,0]=4 22338 B14R1.7238 CCOC(=O)CC(=O)CCCC1CO1 1458a_100000243816_100000733510 [0,1,0,1,0,0|1,0,1]=4 22339 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000188475 [0,1,0,1,0,0|1,0,1]=4 22340 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 62a_100000210311_100000742324 [0,1,0,1,0,0|1,0,1]=4 22341 B14R1.7238 CCOC(=O)CC(=O)CSCC1CC1 62a_100000756562_100000210311 [0,1,0,1,0,0|1,0,1]=4 22342 B14R1.7238 CCOC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000243816 [0,1,0,1,0,0|1,0,1]=4 22343 B14R1.7238 CCOC(=O)CC(C)OCCC1CC1 7a_100000754188_100009817359 [0,1,0,1,0,0|1,0,0]=3 22344 B14R1.7238 CCOC(=O)CC(C)SCCC1CC1 62a_100000764125_100009817359 [0,1,0,1,0,0|1,0,0]=3 22345 B14R1.7238 CCOC(=O)CC(C)SCCC1CC1 62a_100009817359_100000764125 [0,1,0,1,0,0|1,0,0]=3 22346 B14R1.7238 CCOC(=O)CC(C)SCCC1CO1 62a_100000732470_100009817359 [0,1,0,1,0,0|2,0,0]=4 22347 B14R1.7238 CCOC(=O)CC(C)SCCC1CO1 62a_100009817359_100000732470 [0,1,0,1,0,0|2,0,0]=4 22348 B14R1.7238 CCOC(=O)CN(C)CCCC1CO1 2230a_100000220588_100000733510 [0,1,0,1,0,0|2,0,0]=4 22349 B14R1.7238 CCOC(=O)C[C@@H](C)OCCC1CC1 7a_100009816390_100000764125 [0,1,0,1,0,0|1,0,0]=3 22350 B14R1.7238 CCOC(=O)C[C@@H](C)OCCC1CO1 7a_100009816390_100000732470 [0,1,0,1,0,0|2,0,0]=4 22351 B14R1.7238 CCOC(=O)C[C@H](O)CNCC1CC1 34a_100000735609_100000688340 [0,1,0,1,0,0|1,0,0]=3 22352 B14R1.7238 CCOC(=O)C[C@H](O)COCC1CC1 34a_100000211283_100000688340 [0,1,0,1,0,0|1,0,0]=3 22353 B14R1.7238 CCOC(=O)C[C@H](O)COC[C@@H]1CO1 34a_100000757423_100000688340 [0,1,0,1,0,0|2,0,0]=4 22354 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CC1 62a_100000688340_100000742324 [0,1,0,1,0,0|1,0,0]=3 22355 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CC1 62a_100000756562_100000688340 [0,1,0,1,0,0|1,0,0]=3 22356 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CO1 62a_100000688340_102125554688 [0,1,0,1,0,0|2,0,0]=4 22357 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CO1 62a_102125554688_100000688340 [0,1,0,1,0,0|2,0,0]=4 22358 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CS1 62a_100000031435_100000688340 [0,1,0,1,0,0|2,0,0]=4 22359 B14R1.7238 CCOC(=O)C[C@H](O)CSCC1CS1 62a_100000688340_100000031435 [0,1,0,1,0,0|2,0,0]=4 22360 B14R1.7238 CCOC(=O)C[C@H](O)CSC[C@@H]1CO1 62a_100000688340_100000745022 [0,1,0,1,0,0|2,0,0]=4 22361 B14R1.7238 CCOC(=O)C[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100000688340 [0,1,0,1,0,0|2,0,0]=4 22362 B14R1.7238 CCOC(=O)OC(C)SCCC1CC1 62a_100000036008_100000764125 [0,1,0,1,0,0|2,0,0]=4 22363 B14R1.7238 CCOC(=O)OC(C)SCCC1CC1 62a_100000764125_100000036008 [0,1,0,1,0,0|2,0,0]=4 22364 B14R1.7239 CCOC(=O)CC(=O)CN1CCC1C 269982a_100000755817_100000210311 [0,1,0,1,0,0|1,0,1]=4 22365 B14R1.7239 CCOC(=O)C[C@H](O)CN1CCC1C 269982a_100000755817_100000688340 [0,1,0,1,0,0|1,0,0]=3 22366 B14R1.7239 CCOC(=O)C[C@H](O)CN1CCC1C 34a_100000755817_100000688340 [0,1,0,1,0,0|1,0,0]=3 22367 B14R1.167 CC(C)CC(=O)CCC1CCCN1C 1458a_100000210554_100000005710 [0,1,0,1,0,0|2,0,0]=4 22368 B14R1.167 CC(C)NC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737564 [0,1,0,1,0,0|2,0,0]=4 22369 B14R1.167 CC(C)NC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737564 [0,1,0,1,0,0|2,0,0]=4 22370 B14R1.167 CC(C)NC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737564 [0,1,0,1,0,0|2,0,0]=4 22371 B14R1.167 CC(C)NC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737564 [0,1,0,1,0,0|2,0,0]=4 22372 B14R1.167 CC(C)NC(=O)CNC1CCCC1C 269862a_100000168517_100000752053 [0,1,0,1,0,0|2,0,0]=4 22373 B14R1.167 CC(C)NC(=O)COC1CCCC1C 34a_100011216460_100000183996 [0,1,0,1,0,0|2,0,0]=4 22374 B14R1.167 CC(C)NC(=O)COC1CCCC1C 7a_100011216460_100000183996 [0,1,0,1,0,0|2,0,0]=4 22375 B14R1.167 CC(C)OC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000760027 [0,1,0,1,0,0|1,0,0]=3 22376 B14R1.167 CC(C)OC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000760027 [0,1,0,1,0,0|1,0,0]=3 22377 B14R1.167 CC(C)OC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000760027 [0,1,0,1,0,0|1,0,0]=3 22378 B14R1.167 CC(C)OC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000760027 [0,1,0,1,0,0|1,0,0]=3 22379 B14R1.167 CC(C)OC(=O)CCN1CCSC1C 2230a_200011216479_100000760027 [0,1,0,1,0,0|2,0,0]=4 22380 B14R1.167 CC(C)OC(=O)CCN1CCSC1C 269982a_200011216479_100000760027 [0,1,0,1,0,0|2,0,0]=4 22381 B14R1.167 CC(C)OC(=O)COC1CCCC1C 34a_100011216460_100011215430 [0,1,0,1,0,0|1,0,0]=3 22382 B14R1.167 CC(C)OC(=O)COC1CCCC1C 7a_100011216460_100011215430 [0,1,0,1,0,0|1,0,0]=3 22383 B14R1.167 CC(C)OC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215430 [0,1,0,1,0,0|2,0,0]=4 22384 B14R1.167 CC(C)OC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215430 [0,1,0,1,0,0|2,0,0]=4 22385 B14R1.167 CC(C)OC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100011215430 [0,1,0,1,0,0|2,0,0]=4 22386 B14R1.167 CC(C)OC(=O)CS[C@@H]1CCC[C@H]1O 62a_100011215430_200016002552 [0,1,0,1,0,0|2,0,0]=4 22387 B14R1.167 CC(C)OC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215430 [0,1,0,1,0,0|2,0,0]=4 22388 B14R1.167 CC(C)OC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100010125566 [0,1,0,1,0,0|2,0,0]=4 22389 B14R1.167 CC(C)OC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100010125566 [0,1,0,1,0,0|2,0,0]=4 22390 B14R1.167 C[C@@H](O)CC(=O)CCC1CCCN1C 1458a_100011933948_100000005710 [0,1,0,1,0,0|2,0,0]=4 22391 B14R1.240 CC(C)NC(=O)CCOCC1CC1C 7a_100000744939_100000737564 [0,1,0,1,0,0|2,0,0]=4 22392 B14R1.240 CC(C)OC(=O)CCOCC1CC1C 7a_100000744939_100000760027 [0,1,0,1,0,0|1,0,0]=3 22393 B14R1.250 CCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100000210303 [0,1,0,1,0,0|2,0,0]=4 22394 B14R1.250 CCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100000210303 [0,1,0,1,0,0|2,0,0]=4 22395 B14R1.250 CCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100000210303 [0,1,0,1,0,0|2,0,0]=4 22396 B14R1.264 COCC1CCN1CC(=O)OC(C)C 2230a_100015195929_100011215430 [0,1,0,1,0,0|2,0,0]=4 22397 B14R1.264 COCC1CCN1CC(=O)OC(C)C 269982a_100015195929_100011215430 [0,1,0,1,0,0|2,0,0]=4 22398 B14R1.264 COCC1CCN1CC(=O)OC(C)C 34a_100015195929_100011215430 [0,1,0,1,0,0|2,0,0]=4 22399 B14R1.327 CC(C)CC(=O)C1CCCCCN1C 1458a_100015187800_100000210624 [0,1,0,1,0,0|2,0,0]=4 22400 B14R1.327 CC(C)NC(=O)C1CCCCCN1C 240690a_100138425928_100015187800 [0,1,0,1,0,0|2,0,0]=4 22401 B14R1.327 CC(C)NC(=O)C1CCCCCN1C 527a_100138425928_100015187800 [0,1,0,1,0,0|2,0,0]=4 22402 B14R1.327 CC(O)CC(=O)C1CCCCCN1C 1458a_100015187800_100011218427 [0,1,0,1,0,0|2,0,0]=4 22403 B14R1.337 CC(C)CC(=O)CC1CCCCN1C 1458a_100000210554_100015185383 [0,1,0,1,0,0|2,0,0]=4 22404 B14R1.337 CC(C)CC(=O)NC1CCCCC1C 11a_100000211402_100000210554 [0,1,0,1,0,0|2,0,0]=4 22405 B14R1.337 CC(C)CC(=O)NC1CCCCC1C 1626a_100000211402_100000210554 [0,1,0,1,0,0|2,0,0]=4 22406 B14R1.337 CC(C)CC(=O)NC1CCCCC1C 240690a_100000211402_100000210554 [0,1,0,1,0,0|2,0,0]=4 22407 B14R1.337 CC(C)CC(=O)NC1CCCCC1C 527a_100000211402_100000210554 [0,1,0,1,0,0|2,0,0]=4 22408 B14R1.337 CC(C)NC(=O)CN1CCCCC1C 2230a_100000211376_100000183996 [0,1,0,1,0,0|2,0,0]=4 22409 B14R1.337 CC(C)NC(=O)CN1CCCCC1C 269982a_100000211376_100000183996 [0,1,0,1,0,0|2,0,0]=4 22410 B14R1.337 CC(C)NC(=O)CN1CCCCC1C 34a_100000211376_100000183996 [0,1,0,1,0,0|2,0,0]=4 22411 B14R1.337 CC(C)NC(=O)NC1CCCCC1C 2708a_100000211402_100138425928 [0,1,0,1,0,0|2,0,0]=4 22412 B14R1.337 CC(C)NC(=O)NC1CCCCC1C 2708a_100138425928_100000211402 [0,1,0,1,0,0|2,0,0]=4 22413 B14R1.337 CC(C)NC(=O)NC1CCCCC1C 273464a_100138425928_100000211402 [0,1,0,1,0,0|2,0,0]=4 22414 B14R1.337 CC(C)NC(=O)NC1CCCCC1C 512a_100000211402_100138425928 [0,1,0,1,0,0|2,0,0]=4 22415 B14R1.337 CC(C)NC(=O)NC1CCCCC1C 512a_100138425928_100000211402 [0,1,0,1,0,0|2,0,0]=4 22416 B14R1.337 CC(C)OC(=O)CN1CCCCC1C 2230a_100000211376_100011215430 [0,1,0,1,0,0|1,0,0]=3 22417 B14R1.337 CC(C)OC(=O)CN1CCCCC1C 269982a_100000211376_100011215430 [0,1,0,1,0,0|1,0,0]=3 22418 B14R1.337 CC(C)OC(=O)CN1CCCCC1C 34a_100000211376_100011215430 [0,1,0,1,0,0|1,0,0]=3 22419 B14R1.337 CC(C)OC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100011215430 [0,1,0,1,0,0|2,0,0]=4 22420 B14R1.337 CC(C)OC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100011215430 [0,1,0,1,0,0|2,0,0]=4 22421 B14R1.337 CC(C)OC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100011215430 [0,1,0,1,0,0|2,0,0]=4 22422 B14R1.337 CC1CCCCC1NC(=O)C[C@@H](C)O 240690a_100000211402_100011933948 [0,1,0,1,0,0|2,0,0]=4 22423 B14R1.337 C[C@@H](O)CC(=O)CC1CCCCN1C 1458a_100011933948_100015185383 [0,1,0,1,0,0|2,0,0]=4 22424 B14R1.818 C=C(C)CC(=O)CCC1CCCCC1 1458a_100000211375_100000748629 [0,1,0,1,0,0|1,0,1]=4 22425 B14R1.818 CC(=CC(=O)CCC1CCCCC1)C 1458a_100000211388_100011273959 [0,1,0,1,0,0|1,0,1]=4 22426 B14R1.818 CC(=CC(=O)CCC1CCCCC1)Cl 1458a_200042562850_100011273959 [0,1,0,1,0,0|1,0,1]=4 22427 B14R1.818 CC(=CC(=O)CCC1CCCCC1)I 1458a_100025716642_100011273959 [0,1,0,1,0,0|1,0,1]=4 22428 B14R1.818 CC(C)CC(=O)CCC1CCCCC1 1458a_100000210554_100011273959 [0,1,0,1,0,0|1,0,0]=3 22429 B14R1.818 CC(C)CC(=O)CCC1CCCCC1 1458a_100000211375_100000210624 [0,1,0,1,0,0|1,0,0]=3 22430 B14R1.818 CC(C)CC(=O)CCC1CCOCC1 1458a_100000210554_100011934994 [0,1,0,1,0,0|2,0,0]=4 22431 B14R1.818 CC(C)CC(=O)CCN1CCCCC1 1458a_100000210554_100000739454 [0,1,0,1,0,0|2,0,0]=4 22432 B14R1.818 CC(C)CC(=O)CCN1CCCCC1 1458a_100000743487_100000210624 [0,1,0,1,0,0|2,0,0]=4 22433 B14R1.818 CC(C)CC(=O)COC1CCCCC1 1458a_100000210554_100011935260 [0,1,0,1,0,0|2,0,0]=4 22434 B14R1.818 CC(C)CC(=O)COC1CCCCC1 1458a_100011223303_100000210624 [0,1,0,1,0,0|2,0,0]=4 22435 B14R1.818 CC(C)CC(=O)NCC1CCCCC1 11a_100000210473_100000210554 [0,1,0,1,0,0|2,0,0]=4 22436 B14R1.818 CC(C)CC(=O)NCC1CCCCC1 1626a_100000210473_100000210554 [0,1,0,1,0,0|2,0,0]=4 22437 B14R1.818 CC(C)CC(=O)NCC1CCCCC1 240690a_100000210473_100000210554 [0,1,0,1,0,0|2,0,0]=4 22438 B14R1.818 CC(C)CC(=O)NCC1CCCCC1 527a_100000210473_100000210554 [0,1,0,1,0,0|2,0,0]=4 22439 B14R1.818 CC(C)NC(=O)CCC1CCCCC1 11a_100138425928_100000211375 [0,1,0,1,0,0|1,0,0]=3 22440 B14R1.818 CC(C)NC(=O)CCC1CCCCC1 1626a_100138425928_100000211375 [0,1,0,1,0,0|1,0,0]=3 22441 B14R1.818 CC(C)NC(=O)CCC1CCCCC1 240690a_100138425928_100000211375 [0,1,0,1,0,0|1,0,0]=3 22442 B14R1.818 CC(C)NC(=O)CCC1CCCCC1 527a_100138425928_100000211375 [0,1,0,1,0,0|1,0,0]=3 22443 B14R1.818 CC(C)NC(=O)CCN1CCCCC1 240690a_100138425928_100000743487 [0,1,0,1,0,0|2,0,0]=4 22444 B14R1.818 CC(C)NC(=O)CNC1CCCCC1 2230a_100000182618_100000183996 [0,1,0,1,0,0|2,0,0]=4 22445 B14R1.818 CC(C)NC(=O)CNC1CCCCC1 270004a_100000168517_100000210434 [0,1,0,1,0,0|2,0,0]=4 22446 B14R1.818 CC(C)NC(=O)CNC1CCCCC1 34a_100000182618_100000183996 [0,1,0,1,0,0|2,0,0]=4 22447 B14R1.818 CC(C)NC(=O)COC1CCCCC1 11a_100138425928_100011223303 [0,1,0,1,0,0|2,0,0]=4 22448 B14R1.818 CC(C)NC(=O)COC1CCCCC1 1626a_100138425928_100011223303 [0,1,0,1,0,0|2,0,0]=4 22449 B14R1.818 CC(C)NC(=O)COC1CCCCC1 240690a_100138425928_100011223303 [0,1,0,1,0,0|2,0,0]=4 22450 B14R1.818 CC(C)NC(=O)COC1CCCCC1 34a_100000210231_100000183996 [0,1,0,1,0,0|2,0,0]=4 22451 B14R1.818 CC(C)NC(=O)COC1CCCCC1 527a_100138425928_100011223303 [0,1,0,1,0,0|2,0,0]=4 22452 B14R1.818 CC(C)NC(=O)COC1CCCCC1 7a_100000210231_100000183996 [0,1,0,1,0,0|2,0,0]=4 22453 B14R1.818 CC(C)NC(=O)CSC1CCCCC1 62a_100000183996_100000210327 [0,1,0,1,0,0|2,0,0]=4 22454 B14R1.818 CC(C)NC(=O)CSC1CCCCC1 62a_100000210327_100000183996 [0,1,0,1,0,0|2,0,0]=4 22455 B14R1.818 CC(C)NC(=O)NCC1CCCCC1 2708a_100000210473_100138425928 [0,1,0,1,0,0|2,0,0]=4 22456 B14R1.818 CC(C)NC(=O)NCC1CCCCC1 2708a_100138425928_100000210473 [0,1,0,1,0,0|2,0,0]=4 22457 B14R1.818 CC(C)NC(=O)NCC1CCCCC1 273464a_100138425928_100000210473 [0,1,0,1,0,0|2,0,0]=4 22458 B14R1.818 CC(C)NC(=O)NCC1CCCCC1 512a_100138425928_100000210473 [0,1,0,1,0,0|2,0,0]=4 22459 B14R1.818 CC(C)OC(=O)CCN1CCCOC1 2230a_100000131196_100000760027 [0,1,0,1,0,0|2,0,0]=4 22460 B14R1.818 CC(C)OC(=O)CCN1CCCOC1 269982a_100000131196_100000760027 [0,1,0,1,0,0|2,0,0]=4 22461 B14R1.818 CC(C)OC(=O)CCN1CCOCC1 2230a_100015191051_100000760027 [0,1,0,1,0,0|2,0,0]=4 22462 B14R1.818 CC(C)OC(=O)CCN1CCOCC1 269982a_100015191051_100000760027 [0,1,0,1,0,0|2,0,0]=4 22463 B14R1.818 CC(C)OC(=O)CCN1CCSCC1 2230a_100000737611_100000760027 [0,1,0,1,0,0|2,0,0]=4 22464 B14R1.818 CC(C)OC(=O)CCN1CCSCC1 269982a_100000737611_100000760027 [0,1,0,1,0,0|2,0,0]=4 22465 B14R1.818 CC(C)OC(=O)CNC1CCCCC1 2230a_100000182618_100011215430 [0,1,0,1,0,0|1,0,0]=3 22466 B14R1.818 CC(C)OC(=O)CNC1CCCCC1 34a_100000182618_100011215430 [0,1,0,1,0,0|1,0,0]=3 22467 B14R1.818 CC(C)OC(=O)CNC1CCCOC1 2230a_100000719290_100011215430 [0,1,0,1,0,0|2,0,0]=4 22468 B14R1.818 CC(C)OC(=O)CNC1CCCOC1 34a_100000719290_100011215430 [0,1,0,1,0,0|2,0,0]=4 22469 B14R1.818 CC(C)OC(=O)CNC1CCOCC1 2230a_100000741149_100011215430 [0,1,0,1,0,0|2,0,0]=4 22470 B14R1.818 CC(C)OC(=O)CNC1CCOCC1 34a_100000741149_100011215430 [0,1,0,1,0,0|2,0,0]=4 22471 B14R1.818 CC(C)OC(=O)CNC1CCSCC1 2230a_100000748639_100011215430 [0,1,0,1,0,0|2,0,0]=4 22472 B14R1.818 CC(C)OC(=O)CNC1CCSCC1 34a_100000748639_100011215430 [0,1,0,1,0,0|2,0,0]=4 22473 B14R1.818 CC(C)OC(=O)COC1CCCCC1 34a_100000210231_100011215430 [0,1,0,1,0,0|1,0,0]=3 22474 B14R1.818 CC(C)OC(=O)COC1CCCCC1 7a_100000210231_100011215430 [0,1,0,1,0,0|1,0,0]=3 22475 B14R1.818 CC(C)OC(=O)COC1CCCCO1 34a_100000033831_100011215430 [0,1,0,1,0,0|2,0,0]=4 22476 B14R1.818 CC(C)OC(=O)COC1CCCOC1 34a_100000754041_100011215430 [0,1,0,1,0,0|2,0,0]=4 22477 B14R1.818 CC(C)OC(=O)COC1CCCSC1 7a_100015962668_100011215430 [0,1,0,1,0,0|2,0,0]=4 22478 B14R1.818 CC(C)OC(=O)COC1CCOCC1 34a_100000744328_100011215430 [0,1,0,1,0,0|2,0,0]=4 22479 B14R1.818 CC(C)OC(=O)COC1CCSCC1 34a_100000731022_100011215430 [0,1,0,1,0,0|2,0,0]=4 22480 B14R1.818 CC(C)OC(=O)COC1CCSCC1 7a_100000731022_100011215430 [0,1,0,1,0,0|2,0,0]=4 22481 B14R1.818 CC(C)OC(=O)CSC1CCCCC1 62a_100000210327_100011215430 [0,1,0,1,0,0|1,0,0]=3 22482 B14R1.818 CC(C)OC(=O)CSC1CCCCC1 62a_100011215430_100000210327 [0,1,0,1,0,0|1,0,0]=3 22483 B14R1.818 CC(C)OC(=O)CSC1CCCOC1 62a_100011215430_100000693364 [0,1,0,1,0,0|2,0,0]=4 22484 B14R1.818 CC(C)OC(=O)CSC1CCOCC1 62a_100011215430_100011324220 [0,1,0,1,0,0|2,0,0]=4 22485 B14R1.818 CC(C)OC(=O)CSC1CCSCC1 62a_100011215430_100000069128 [0,1,0,1,0,0|2,0,0]=4 22486 B14R1.818 CC(O)CC(=O)CCC1CCCCC1 1458a_100000211375_100011218427 [0,1,0,1,0,0|1,0,0]=3 22487 B14R1.818 CC(O)CC(=O)CCN1CCCCC1 1458a_100000743487_100011218427 [0,1,0,1,0,0|2,0,0]=4 22488 B14R1.818 CC(O)CC(=O)COC1CCCCC1 1458a_100011223303_100011218427 [0,1,0,1,0,0|2,0,0]=4 22489 B14R1.818 CN(C)CC(=O)CCC1CCCCC1 1458a_100000750896_100011273959 [0,1,0,1,0,0|2,0,0]=4 22490 B14R1.818 C[C@@H](O)CC(=O)CCC1CCCCC1 1458a_100011933948_100011273959 [0,1,0,1,0,0|1,0,0]=3 22491 B14R1.818 C[C@@H](O)CC(=O)CCC1CCOCC1 1458a_100011933948_100011934994 [0,1,0,1,0,0|2,0,0]=4 22492 B14R1.818 C[C@@H](O)CC(=O)CCN1CCCCC1 1458a_100011933948_100000739454 [0,1,0,1,0,0|2,0,0]=4 22493 B14R1.818 C[C@@H](O)CC(=O)COC1CCCCC1 1458a_100011933948_100011935260 [0,1,0,1,0,0|2,0,0]=4 22494 B14R1.818 C[C@@H](O)CC(=O)NCC1CCCCC1 240690a_100000210473_100011933948 [0,1,0,1,0,0|2,0,0]=4 22495 B14R1.818 C[S+](C)CC(=O)CCC1CCCCC1 1458a_200159257847_100011273959 [0,1,0,1,0,0|2,0,0]=4 22496 B14R1.818 O=C(CCC1CCCCC1)CC(F)F 1458a_100000211375_100011934356 [0,1,0,1,0,0|2,0,0]=4 22497 B14R1.840 CCC1CCCCN1C(=O)CC(C)C 11a_100000210034_100000210554 [0,1,0,1,0,0|2,0,0]=4 22498 B14R1.840 CCC1CCCCN1C(=O)CC(C)C 1626a_100000210034_100000210554 [0,1,0,1,0,0|2,0,0]=4 22499 B14R1.840 CCC1CCCCN1C(=O)CC(C)C 240690a_100000210034_100000210554 [0,1,0,1,0,0|2,0,0]=4 22500 B14R1.840 CCC1CCCCN1C(=O)CC(C)C 527a_100000210034_100000210554 [0,1,0,1,0,0|2,0,0]=4 22501 B14R1.840 CCC1CCCCN1C(=O)C[C@@H](C)O 240690a_100000210034_100011933948 [0,1,0,1,0,0|2,0,0]=4 22502 B14R1.840 CCC1CCCCN1C(=O)NC(C)C 2708a_100138425928_100000210034 [0,1,0,1,0,0|2,0,0]=4 22503 B14R1.840 CCC1CCCCN1C(=O)NC(C)C 273464a_100138425928_100000210034 [0,1,0,1,0,0|2,0,0]=4 22504 B14R1.840 CCN1CCCCC1C(=O)CC(C)C 1458a_100000743832_100000210624 [0,1,0,1,0,0|2,0,0]=4 22505 B14R1.840 CCN1CCCCC1C(=O)CC(C)O 1458a_100000743832_100011218427 [0,1,0,1,0,0|2,0,0]=4 22506 B14R1.840 CCN1CCCCC1C(=O)NC(C)C 11a_100138425928_100000743832 [0,1,0,1,0,0|2,0,0]=4 22507 B14R1.840 CCN1CCCCC1C(=O)NC(C)C 240690a_100138425928_100000743832 [0,1,0,1,0,0|2,0,0]=4 22508 B14R1.840 CCN1CCCCC1C(=O)NC(C)C 527a_100138425928_100000743832 [0,1,0,1,0,0|2,0,0]=4 22509 B14R1.849 CC(C)OC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100011215430 [0,1,0,1,0,0|2,0,0]=4 22510 B14R1.849 CC(C)OC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100011215430 [0,1,0,1,0,0|2,0,0]=4 22511 B14R1.849 CC(C)OC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100011215430 [0,1,0,1,0,0|2,0,0]=4 22512 B14R1.849 CCC1CCCN1CC(=O)NC(C)C 2230a_100000754278_100000183996 [0,1,0,1,0,0|2,0,0]=4 22513 B14R1.849 CCC1CCCN1CC(=O)NC(C)C 269982a_100000754278_100000183996 [0,1,0,1,0,0|2,0,0]=4 22514 B14R1.849 CCC1CCCN1CC(=O)NC(C)C 34a_100000754278_100000183996 [0,1,0,1,0,0|2,0,0]=4 22515 B14R1.849 CCC1CCCN1CC(=O)OC(C)C 2230a_100000754278_100011215430 [0,1,0,1,0,0|1,0,0]=3 22516 B14R1.849 CCC1CCCN1CC(=O)OC(C)C 269982a_100000754278_100011215430 [0,1,0,1,0,0|1,0,0]=3 22517 B14R1.849 CCC1CCCN1CC(=O)OC(C)C 34a_100000754278_100011215430 [0,1,0,1,0,0|1,0,0]=3 22518 B14R1.4276 CC(C)NC(=O)CCNCC1CCC1 2230a_100000738700_100000737564 [0,1,0,1,0,0|2,0,0]=4 22519 B14R1.4276 CC(C)NC(=O)CCSCC1CCC1 62a_100000737564_100000763275 [0,1,0,1,0,0|2,0,0]=4 22520 B14R1.4276 CC(C)NC(=O)CCSCC1CCC1 62a_100000763275_100000737564 [0,1,0,1,0,0|2,0,0]=4 22521 B14R1.4276 CC(C)OC(=O)CCNCC1CCC1 2230a_100000738700_100000760027 [0,1,0,1,0,0|1,0,0]=3 22522 B14R1.4276 CC(C)OC(=O)CCNCC1COC1 2230a_100015281925_100000760027 [0,1,0,1,0,0|2,0,0]=4 22523 B14R1.4276 CC(C)OC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000760027 [0,1,0,1,0,0|2,0,0]=4 22524 B14R1.4276 CC(C)OC(=O)CCSCC1CCC1 62a_100000760027_100000763275 [0,1,0,1,0,0|1,0,0]=3 22525 B14R1.4276 CC(C)OC(=O)CCSCC1CCC1 62a_100000763275_100000760027 [0,1,0,1,0,0|1,0,0]=3 22526 B14R1.4276 CC(C)OC(=O)CCSCC1CCO1 62a_100000103362_100000760027 [0,1,0,1,0,0|2,0,0]=4 22527 B14R1.4276 CC(C)OC(=O)CCSCC1CCO1 62a_100000760027_100000103362 [0,1,0,1,0,0|2,0,0]=4 22528 B14R1.4276 CC(C)OC(=O)CCSCC1COC1 62a_100000760027_100010264016 [0,1,0,1,0,0|2,0,0]=4 22529 B14R1.4276 CC(C)OC(=O)CCSCC1COC1 62a_100010264016_100000760027 [0,1,0,1,0,0|2,0,0]=4 22530 B14R1.4276 CC(C)OC(=O)COCCC1COC1 34a_100009855314_100011215430 [0,1,0,1,0,0|2,0,0]=4 22531 B14R1.4276 CC(C)OC(=O)OCSCC1CCC1 62a_100000003507_100000763275 [0,1,0,1,0,0|2,0,0]=4 22532 B14R1.4276 CC(C)OC(=O)OCSCC1CCC1 62a_100000763275_100000003507 [0,1,0,1,0,0|2,0,0]=4 22533 B14R1.4278 CC(C)NC(=O)CCOCCC1CC1 7a_100000754188_100000737564 [0,1,0,1,0,0|2,0,0]=4 22534 B14R1.4278 CC(C)NC(=O)CCSCCC1CC1 62a_100000737564_100000764125 [0,1,0,1,0,0|2,0,0]=4 22535 B14R1.4278 CC(C)NC(=O)CCSCCC1CC1 62a_100000764125_100000737564 [0,1,0,1,0,0|2,0,0]=4 22536 B14R1.4278 CC(C)OC(=O)CCOCCC1CC1 7a_100000754188_100000760027 [0,1,0,1,0,0|1,0,0]=3 22537 B14R1.4278 CC(C)OC(=O)CCSCCC1CC1 62a_100000760027_100000764125 [0,1,0,1,0,0|1,0,0]=3 22538 B14R1.4278 CC(C)OC(=O)CCSCCC1CC1 62a_100000764125_100000760027 [0,1,0,1,0,0|1,0,0]=3 22539 B14R1.4278 CC(C)OC(=O)CCSCCC1CO1 62a_100000732470_100000760027 [0,1,0,1,0,0|2,0,0]=4 22540 B14R1.4278 CC(C)OC(=O)CCSCCC1CO1 62a_100000760027_100000732470 [0,1,0,1,0,0|2,0,0]=4 22541 B14R1.4278 CC(C)OC(=O)COCCNC1CC1 34a_100000738766_100011215430 [0,1,0,1,0,0|2,0,0]=4 22542 B14R1.4278 CC(C)OC(=O)CSCCCC1CO1 62a_100000733510_100011215430 [0,1,0,1,0,0|2,0,0]=4 22543 B14R1.4278 CC(C)OC(=O)CSCCCC1CO1 62a_100011215430_100000733510 [0,1,0,1,0,0|2,0,0]=4 22544 B14R1.4278 CC(C)OC(=O)OCSCCC1CC1 62a_100000003507_100000764125 [0,1,0,1,0,0|2,0,0]=4 22545 B14R1.4278 CC(C)OC(=O)OCSCCC1CC1 62a_100000764125_100000003507 [0,1,0,1,0,0|2,0,0]=4 22546 B14R1.6454 CC(=CC(=O)CCCC1CCCC1)C 1458a_100000211388_100011713738 [0,1,0,1,0,0|1,0,1]=4 22547 B14R1.6454 CC(=CC(=O)CCCC1CCCC1)Cl 1458a_200042562850_100011713738 [0,1,0,1,0,0|1,0,1]=4 22548 B14R1.6454 CC(=CC(=O)CCCC1CCCC1)I 1458a_100025716642_100011713738 [0,1,0,1,0,0|1,0,1]=4 22549 B14R1.6454 CC(C)CC(=O)CCCC1CCCC1 1458a_100000210554_100011713738 [0,1,0,1,0,0|1,0,0]=3 22550 B14R1.6454 CC(C)CC(=O)CCCN1CCCC1 1458a_100000210554_100011445909 [0,1,0,1,0,0|2,0,0]=4 22551 B14R1.6454 CC(C)CC(=O)CCCN1CCCC1 1458a_100000743284_100000210624 [0,1,0,1,0,0|2,0,0]=4 22552 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 11a_100000739158_100000210554 [0,1,0,1,0,0|2,0,0]=4 22553 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 1626a_100000739158_100000210554 [0,1,0,1,0,0|2,0,0]=4 22554 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 240690a_100000739158_100000210554 [0,1,0,1,0,0|2,0,0]=4 22555 B14R1.6454 CC(C)CC(=O)NCCC1CCCC1 527a_100000739158_100000210554 [0,1,0,1,0,0|2,0,0]=4 22556 B14R1.6454 CC(C)NC(=O)CCCN1CCCC1 240690a_100138425928_100000743284 [0,1,0,1,0,0|2,0,0]=4 22557 B14R1.6454 CC(C)NC(=O)CCNC1CCCC1 2230a_100000211070_100000737564 [0,1,0,1,0,0|2,0,0]=4 22558 B14R1.6454 CC(C)NC(=O)CCOC1CCCC1 7a_100000210269_100000737564 [0,1,0,1,0,0|2,0,0]=4 22559 B14R1.6454 CC(C)NC(=O)CCSC1CCCC1 62a_100000737564_100000179811 [0,1,0,1,0,0|2,0,0]=4 22560 B14R1.6454 CC(C)NC(=O)CCSC1CCCC1 62a_100011217020_100000737564 [0,1,0,1,0,0|2,0,0]=4 22561 B14R1.6454 CC(C)NC(=O)CNCC1CCCC1 2230a_100000168517_100000740388 [0,1,0,1,0,0|2,0,0]=4 22562 B14R1.6454 CC(C)NC(=O)CNCC1CCCC1 2230a_100000737975_100000183996 [0,1,0,1,0,0|2,0,0]=4 22563 B14R1.6454 CC(C)NC(=O)CNCC1CCCC1 269862a_100000168517_100000746403 [0,1,0,1,0,0|2,0,0]=4 22564 B14R1.6454 CC(C)NC(=O)CNCC1CCCC1 34a_100000737975_100000183996 [0,1,0,1,0,0|2,0,0]=4 22565 B14R1.6454 CC(C)NC(=O)COCC1CCCC1 34a_100000742336_100000183996 [0,1,0,1,0,0|2,0,0]=4 22566 B14R1.6454 CC(C)NC(=O)COCC1CCCC1 7a_100000742336_100000183996 [0,1,0,1,0,0|2,0,0]=4 22567 B14R1.6454 CC(C)NC(=O)CSCC1CCCC1 62a_100000183996_100000740388 [0,1,0,1,0,0|2,0,0]=4 22568 B14R1.6454 CC(C)NC(=O)CSCC1CCCC1 62a_100000740388_100000183996 [0,1,0,1,0,0|2,0,0]=4 22569 B14R1.6454 CC(C)NC(=O)NCCC1CCCC1 2708a_100000739158_100138425928 [0,1,0,1,0,0|2,0,0]=4 22570 B14R1.6454 CC(C)NC(=O)NCCC1CCCC1 2708a_100138425928_100000739158 [0,1,0,1,0,0|2,0,0]=4 22571 B14R1.6454 CC(C)NC(=O)NCCC1CCCC1 273464a_100138425928_100000739158 [0,1,0,1,0,0|2,0,0]=4 22572 B14R1.6454 CC(C)NC(=O)NCCC1CCCC1 512a_100000739158_100138425928 [0,1,0,1,0,0|2,0,0]=4 22573 B14R1.6454 CC(C)NC(=O)NCCC1CCCC1 512a_100138425928_100000739158 [0,1,0,1,0,0|2,0,0]=4 22574 B14R1.6454 CC(C)OC(=O)CCNC1CCCC1 2230a_100000211070_100000760027 [0,1,0,1,0,0|1,0,0]=3 22575 B14R1.6454 CC(C)OC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000760027 [0,1,0,1,0,0|2,0,0]=4 22576 B14R1.6454 CC(C)OC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000760027 [0,1,0,1,0,0|2,0,0]=4 22577 B14R1.6454 CC(C)OC(=O)CCOC1CCCC1 7a_100000210269_100000760027 [0,1,0,1,0,0|1,0,0]=3 22578 B14R1.6454 CC(C)OC(=O)CCOC1CCSC1 7a_100011232664_100000760027 [0,1,0,1,0,0|2,0,0]=4 22579 B14R1.6454 CC(C)OC(=O)CCSC1CCCC1 62a_100000760027_100000179811 [0,1,0,1,0,0|1,0,0]=3 22580 B14R1.6454 CC(C)OC(=O)CCSC1CCCC1 62a_100011217020_100000760027 [0,1,0,1,0,0|1,0,0]=3 22581 B14R1.6454 CC(C)OC(=O)CCSC1CCOC1 62a_100000760027_100000690089 [0,1,0,1,0,0|2,0,0]=4 22582 B14R1.6454 CC(C)OC(=O)CNCC1CCCC1 2230a_100000737975_100011215430 [0,1,0,1,0,0|1,0,0]=3 22583 B14R1.6454 CC(C)OC(=O)CNCC1CCCC1 34a_100000737975_100011215430 [0,1,0,1,0,0|1,0,0]=3 22584 B14R1.6454 CC(C)OC(=O)CNCC1CCOC1 2230a_100000737293_100011215430 [0,1,0,1,0,0|2,0,0]=4 22585 B14R1.6454 CC(C)OC(=O)CNCC1CCOC1 34a_100000737293_100011215430 [0,1,0,1,0,0|2,0,0]=4 22586 B14R1.6454 CC(C)OC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100011215430 [0,1,0,1,0,0|2,0,0]=4 22587 B14R1.6454 CC(C)OC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100011215430 [0,1,0,1,0,0|2,0,0]=4 22588 B14R1.6454 CC(C)OC(=O)COCC1CCCC1 34a_100000742336_100011215430 [0,1,0,1,0,0|1,0,0]=3 22589 B14R1.6454 CC(C)OC(=O)COCC1CCCC1 7a_100000742336_100011215430 [0,1,0,1,0,0|1,0,0]=3 22590 B14R1.6454 CC(C)OC(=O)COCC1CCCO1 34a_100000210270_100011215430 [0,1,0,1,0,0|2,0,0]=4 22591 B14R1.6454 CC(C)OC(=O)COCC1CCCO1 7a_100000210270_100011215430 [0,1,0,1,0,0|2,0,0]=4 22592 B14R1.6454 CC(C)OC(=O)COCC1CCNC1 34a_100000748654_100011215430 [0,1,0,1,0,0|2,0,0]=4 22593 B14R1.6454 CC(C)OC(=O)COCC1CCOC1 34a_100000740260_100011215430 [0,1,0,1,0,0|2,0,0]=4 22594 B14R1.6454 CC(C)OC(=O)COC[C@H]1CCCN1 34a_100000745186_100011215430 [0,1,0,1,0,0|2,0,0]=4 22595 B14R1.6454 CC(C)OC(=O)CSCC1CCCC1 62a_100000740388_100011215430 [0,1,0,1,0,0|1,0,0]=3 22596 B14R1.6454 CC(C)OC(=O)CSCC1CCCC1 62a_100011215430_100000740388 [0,1,0,1,0,0|1,0,0]=3 22597 B14R1.6454 CC(C)OC(=O)CSCC1CCCO1 62a_100000203698_100011215430 [0,1,0,1,0,0|2,0,0]=4 22598 B14R1.6454 CC(C)OC(=O)CSCC1CCCO1 62a_100011215430_100000203698 [0,1,0,1,0,0|2,0,0]=4 22599 B14R1.6454 CC(C)OC(=O)CSCC1CCOC1 62a_100000702531_100011215430 [0,1,0,1,0,0|2,0,0]=4 22600 B14R1.6454 CC(C)OC(=O)CSCC1CCOC1 62a_100011215430_100000702531 [0,1,0,1,0,0|2,0,0]=4 22601 B14R1.6454 CC(C)OC(=O)OCSC1CCCC1 62a_100000003507_100000179811 [0,1,0,1,0,0|2,0,0]=4 22602 B14R1.6454 CC(C)OC(=O)OCSC1CCCC1 62a_100011217020_100000003507 [0,1,0,1,0,0|2,0,0]=4 22603 B14R1.6454 CC(O)CC(=O)CCCN1CCCC1 1458a_100000743284_100011218427 [0,1,0,1,0,0|2,0,0]=4 22604 B14R1.6454 CN(C)CC(=O)CCCC1CCCC1 1458a_100000750896_100011713738 [0,1,0,1,0,0|2,0,0]=4 22605 B14R1.6454 C[C@@H](O)CC(=O)CCCC1CCCC1 1458a_100011933948_100011713738 [0,1,0,1,0,0|1,0,0]=3 22606 B14R1.6454 C[C@@H](O)CC(=O)CCCN1CCCC1 1458a_100011933948_100011445909 [0,1,0,1,0,0|2,0,0]=4 22607 B14R1.6454 C[C@@H](O)CC(=O)NCCC1CCCC1 240690a_100000739158_100011933948 [0,1,0,1,0,0|2,0,0]=4 22608 B14R1.6454 C[S+](C)CC(=O)CCCC1CCCC1 1458a_200159257847_100011713738 [0,1,0,1,0,0|2,0,0]=4 22609 B14R1.13044 CC(C)CC(=O)N1CCCCCCC1 11a_100000211400_100000210554 [0,1,0,1,0,0|2,0,0]=4 22610 B14R1.13044 CC(C)CC(=O)N1CCCCCCC1 1626a_100000211400_100000210554 [0,1,0,1,0,0|2,0,0]=4 22611 B14R1.13044 CC(C)CC(=O)N1CCCCCCC1 240690a_100000211400_100000210554 [0,1,0,1,0,0|2,0,0]=4 22612 B14R1.13044 CC(C)CC(=O)N1CCCCCCC1 527a_100000211400_100000210554 [0,1,0,1,0,0|2,0,0]=4 22613 B14R1.13044 CC(C)NC(=O)N1CCCCCCC1 2708a_100138425928_100000211400 [0,1,0,1,0,0|2,0,0]=4 22614 B14R1.13044 CC(C)NC(=O)N1CCCCCCC1 273464a_100138425928_100000211400 [0,1,0,1,0,0|2,0,0]=4 22615 B14R1.13044 C[C@@H](O)CC(=O)N1CCCCCCC1 240690a_100000211400_100011933948 [0,1,0,1,0,0|2,0,0]=4 22616 B14R1.13081 C=C(C)CC(=O)CC1CCCCCC1 1458a_100000685095_100000748629 [0,1,0,1,0,0|1,0,1]=4 22617 B14R1.13081 CC(=CC(=O)CC1CCCCCC1)C 1458a_100000211388_200000696569 [0,1,0,1,0,0|1,0,1]=4 22618 B14R1.13081 CC(=CC(=O)CC1CCCCCC1)Cl 1458a_200042562850_200000696569 [0,1,0,1,0,0|1,0,1]=4 22619 B14R1.13081 CC(=CC(=O)CC1CCCCCC1)I 1458a_100025716642_200000696569 [0,1,0,1,0,0|1,0,1]=4 22620 B14R1.13081 CC(C)CC(=O)CC1CCCCCC1 1458a_100000210554_200000696569 [0,1,0,1,0,0|1,0,0]=3 22621 B14R1.13081 CC(C)CC(=O)CC1CCCCCC1 1458a_100000685095_100000210624 [0,1,0,1,0,0|1,0,0]=3 22622 B14R1.13081 CC(C)CC(=O)CN1CCCCCC1 1458a_100000740298_100000210624 [0,1,0,1,0,0|2,0,0]=4 22623 B14R1.13081 CC(C)CC(=O)NC1CCCCCC1 11a_100000210984_100000210554 [0,1,0,1,0,0|2,0,0]=4 22624 B14R1.13081 CC(C)CC(=O)NC1CCCCCC1 1626a_100000210984_100000210554 [0,1,0,1,0,0|2,0,0]=4 22625 B14R1.13081 CC(C)CC(=O)NC1CCCCCC1 240690a_100000210984_100000210554 [0,1,0,1,0,0|2,0,0]=4 22626 B14R1.13081 CC(C)CC(=O)NC1CCCCCC1 527a_100000210984_100000210554 [0,1,0,1,0,0|2,0,0]=4 22627 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 11a_100138425928_100000685095 [0,1,0,1,0,0|1,0,0]=3 22628 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 1626a_100138425928_100000685095 [0,1,0,1,0,0|1,0,0]=3 22629 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 240690a_100138425928_100000685095 [0,1,0,1,0,0|1,0,0]=3 22630 B14R1.13081 CC(C)NC(=O)CC1CCCCCC1 527a_100138425928_100000685095 [0,1,0,1,0,0|1,0,0]=3 22631 B14R1.13081 CC(C)NC(=O)CN1CCCCCC1 11a_100138425928_100000740298 [0,1,0,1,0,0|2,0,0]=4 22632 B14R1.13081 CC(C)NC(=O)CN1CCCCCC1 2230a_100000185865_100000183996 [0,1,0,1,0,0|2,0,0]=4 22633 B14R1.13081 CC(C)NC(=O)CN1CCCCCC1 240690a_100138425928_100000740298 [0,1,0,1,0,0|2,0,0]=4 22634 B14R1.13081 CC(C)NC(=O)CN1CCCCCC1 269982a_100000185865_100000183996 [0,1,0,1,0,0|2,0,0]=4 22635 B14R1.13081 CC(C)NC(=O)CN1CCCCCC1 34a_100000185865_100000183996 [0,1,0,1,0,0|2,0,0]=4 22636 B14R1.13081 CC(C)NC(=O)CN1CCCCCC1 527a_100138425928_100000740298 [0,1,0,1,0,0|2,0,0]=4 22637 B14R1.13081 CC(C)NC(=O)NC1CCCCCC1 2708a_100000210984_100138425928 [0,1,0,1,0,0|2,0,0]=4 22638 B14R1.13081 CC(C)NC(=O)NC1CCCCCC1 2708a_100138425928_100000210984 [0,1,0,1,0,0|2,0,0]=4 22639 B14R1.13081 CC(C)NC(=O)NC1CCCCCC1 273464a_100138425928_100000210984 [0,1,0,1,0,0|2,0,0]=4 22640 B14R1.13081 CC(C)NC(=O)NC1CCCCCC1 512a_100138425928_100000210984 [0,1,0,1,0,0|2,0,0]=4 22641 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 2230a_100000185865_100011215430 [0,1,0,1,0,0|1,0,0]=3 22642 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 269982a_100000185865_100011215430 [0,1,0,1,0,0|1,0,0]=3 22643 B14R1.13081 CC(C)OC(=O)CN1CCCCCC1 34a_100000185865_100011215430 [0,1,0,1,0,0|1,0,0]=3 22644 B14R1.13081 CC(C)OC(=O)CN1CCCOCC1 2230a_100000685342_100011215430 [0,1,0,1,0,0|2,0,0]=4 22645 B14R1.13081 CC(C)OC(=O)CN1CCCOCC1 269982a_100000685342_100011215430 [0,1,0,1,0,0|2,0,0]=4 22646 B14R1.13081 CC(C)OC(=O)CN1CCCOCC1 34a_100000685342_100011215430 [0,1,0,1,0,0|2,0,0]=4 22647 B14R1.13081 CC(O)CC(=O)CC1CCCCCC1 1458a_100000685095_100011218427 [0,1,0,1,0,0|1,0,0]=3 22648 B14R1.13081 CC(O)CC(=O)CN1CCCCCC1 1458a_100000740298_100011218427 [0,1,0,1,0,0|2,0,0]=4 22649 B14R1.13081 CN(C)CC(=O)CC1CCCCCC1 1458a_100000750896_200000696569 [0,1,0,1,0,0|2,0,0]=4 22650 B14R1.13081 C[C@@H](O)CC(=O)CC1CCCCCC1 1458a_100011933948_200000696569 [0,1,0,1,0,0|1,0,0]=3 22651 B14R1.13081 C[C@@H](O)CC(=O)NC1CCCCCC1 240690a_100000210984_100011933948 [0,1,0,1,0,0|2,0,0]=4 22652 B14R1.13081 C[S+](C)CC(=O)CC1CCCCCC1 1458a_200159257847_200000696569 [0,1,0,1,0,0|2,0,0]=4 22653 B14R1.13081 O=C(CC(F)F)CC1CCCCCC1 1458a_100000685095_100011934356 [0,1,0,1,0,0|2,0,0]=4 22654 B14R1.95 CCC(C)C(=O)C1CCCCN1CC 1458a_100000743832_100000758301 [0,1,0,1,0,0|2,0,0]=4 22655 B14R1.95 CCC(C)C(=O)N1CCCCC1CC 11a_100000210034_100011192722 [0,1,0,1,0,0|2,0,0]=4 22656 B14R1.95 CCC(C)C(=O)N1CCCCC1CC 1626a_100000210034_100011192722 [0,1,0,1,0,0|2,0,0]=4 22657 B14R1.95 CCC(C)C(=O)N1CCCCC1CC 240690a_100000210034_100011192722 [0,1,0,1,0,0|2,0,0]=4 22658 B14R1.95 CCC(C)C(=O)N1CCCCC1CC 527a_100000210034_100011192722 [0,1,0,1,0,0|2,0,0]=4 22659 B14R1.95 CCC(O)C(=O)N1CCCCC1CC 240690a_100000210034_100011196387 [0,1,0,1,0,0|2,0,0]=4 22660 B14R1.95 CCN(C)C(=O)C1CCCCN1CC 11a_100000225621_100000743832 [0,1,0,1,0,0|2,0,0]=4 22661 B14R1.95 CCN(C)C(=O)C1CCCCN1CC 240690a_100000225621_100000743832 [0,1,0,1,0,0|2,0,0]=4 22662 B14R1.95 CCN(C)C(=O)C1CCCCN1CC 527a_100000225621_100000743832 [0,1,0,1,0,0|2,0,0]=4 22663 B14R1.232 CCCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210314 [0,1,0,1,0,0|2,0,0]=4 22664 B14R1.232 CCCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210757 [0,1,0,1,0,0|2,0,0]=4 22665 B14R1.232 CCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210326 [0,1,0,1,0,0|2,0,0]=4 22666 B14R1.232 CCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000718602 [0,1,0,1,0,0|2,0,0]=4 22667 B14R1.756 C/C=C(\C)/C(=O)CCC1CCCCC1 1458a_100020587367_100011273959 [0,1,0,1,0,0|1,0,1]=4 22668 B14R1.756 CCC(C)C(=O)CCC1CCCCC1 1458a_100000211375_100000758301 [0,1,0,1,0,0|1,0,0]=3 22669 B14R1.756 CCC(C)C(=O)CCC1CCCCC1 1458a_100011192722_100011273959 [0,1,0,1,0,0|1,0,0]=3 22670 B14R1.756 CCC(C)C(=O)CCC1CCOCC1 1458a_100011192722_100011934994 [0,1,0,1,0,0|2,0,0]=4 22671 B14R1.756 CCC(C)C(=O)CCN1CCCCC1 1458a_100000743487_100000758301 [0,1,0,1,0,0|2,0,0]=4 22672 B14R1.756 CCC(C)C(=O)CCN1CCCCC1 1458a_100011192722_100000739454 [0,1,0,1,0,0|2,0,0]=4 22673 B14R1.756 CCC(C)C(=O)COC1CCCCC1 1458a_100011192722_100011935260 [0,1,0,1,0,0|2,0,0]=4 22674 B14R1.756 CCC(C)C(=O)COC1CCCCC1 1458a_100011223303_100000758301 [0,1,0,1,0,0|2,0,0]=4 22675 B14R1.756 CCC(C)C(=O)NCC1CCCCC1 11a_100000210473_100011192722 [0,1,0,1,0,0|2,0,0]=4 22676 B14R1.756 CCC(C)C(=O)NCC1CCCCC1 1626a_100000210473_100011192722 [0,1,0,1,0,0|2,0,0]=4 22677 B14R1.756 CCC(C)C(=O)NCC1CCCCC1 240690a_100000210473_100011192722 [0,1,0,1,0,0|2,0,0]=4 22678 B14R1.756 CCC(C)C(=O)NCC1CCCCC1 527a_100000210473_100011192722 [0,1,0,1,0,0|2,0,0]=4 22679 B14R1.756 CCC(O)C(=O)CCC1CCCCC1 1458a_100011196387_100011273959 [0,1,0,1,0,0|1,0,0]=3 22680 B14R1.756 CCC(O)C(=O)CCC1CCOCC1 1458a_100011196387_100011934994 [0,1,0,1,0,0|2,0,0]=4 22681 B14R1.756 CCC(O)C(=O)CCN1CCCCC1 1458a_100011196387_100000739454 [0,1,0,1,0,0|2,0,0]=4 22682 B14R1.756 CCC(O)C(=O)COC1CCCCC1 1458a_100011196387_100011935260 [0,1,0,1,0,0|2,0,0]=4 22683 B14R1.756 CCC(O)C(=O)NCC1CCCCC1 240690a_100000210473_100011196387 [0,1,0,1,0,0|2,0,0]=4 22684 B14R1.756 CCN(C)C(=O)CCC1CCCCC1 11a_100000225621_100000211375 [0,1,0,1,0,0|1,0,0]=3 22685 B14R1.756 CCN(C)C(=O)CCC1CCCCC1 1626a_100000225621_100000211375 [0,1,0,1,0,0|1,0,0]=3 22686 B14R1.756 CCN(C)C(=O)CCC1CCCCC1 240690a_100000225621_100000211375 [0,1,0,1,0,0|1,0,0]=3 22687 B14R1.756 CCN(C)C(=O)CCC1CCCCC1 527a_100000225621_100000211375 [0,1,0,1,0,0|1,0,0]=3 22688 B14R1.756 CCN(C)C(=O)CCN1CCCCC1 240690a_100000225621_100000743487 [0,1,0,1,0,0|2,0,0]=4 22689 B14R1.756 CCN(C)C(=O)CNC1CCCCC1 2230a_100000182618_100000738999 [0,1,0,1,0,0|2,0,0]=4 22690 B14R1.756 CCN(C)C(=O)CNC1CCCCC1 34a_100000182618_100000738999 [0,1,0,1,0,0|2,0,0]=4 22691 B14R1.756 CCN(C)C(=O)COC1CCCCC1 11a_100000225621_100011223303 [0,1,0,1,0,0|2,0,0]=4 22692 B14R1.756 CCN(C)C(=O)COC1CCCCC1 1626a_100000225621_100011223303 [0,1,0,1,0,0|2,0,0]=4 22693 B14R1.756 CCN(C)C(=O)COC1CCCCC1 240690a_100000225621_100011223303 [0,1,0,1,0,0|2,0,0]=4 22694 B14R1.756 CCN(C)C(=O)COC1CCCCC1 34a_100000210231_100000738999 [0,1,0,1,0,0|2,0,0]=4 22695 B14R1.756 CCN(C)C(=O)COC1CCCCC1 527a_100000225621_100011223303 [0,1,0,1,0,0|2,0,0]=4 22696 B14R1.756 CCN(C)C(=O)COC1CCCCC1 7a_100000210231_100000738999 [0,1,0,1,0,0|2,0,0]=4 22697 B14R1.756 CCN(C)C(=O)CSC1CCCCC1 62a_100000210327_100000738999 [0,1,0,1,0,0|2,0,0]=4 22698 B14R1.756 CCN(C)C(=O)CSC1CCCCC1 62a_100000738999_100000210327 [0,1,0,1,0,0|2,0,0]=4 22699 B14R1.756 CCN(C)C(=O)NCC1CCCCC1 2708a_100000210473_100000225621 [0,1,0,1,0,0|2,0,0]=4 22700 B14R1.756 CCN(C)C(=O)NCC1CCCCC1 273464a_100000210473_100000225621 [0,1,0,1,0,0|2,0,0]=4 22701 B14R1.756 CNC(=O)C(=O)CCC1CCCCC1 1458a_100011218921_100011273959 [0,1,0,1,0,0|2,0,0]=4 22702 B14R1.756 COC(C)C(=O)CCC1CCCCC1 1458a_100000743197_100011273959 [0,1,0,1,0,0|2,0,0]=4 22703 B14R1.756 CSC(C)C(=O)CCC1CCCCC1 1458a_100000149566_100011273959 [0,1,0,1,0,0|2,0,0]=4 22704 B14R1.756 O=C(CCC1CCCCC1)C(O)CO 1458a_100011215603_100011273959 [0,1,0,1,0,0|2,0,0]=4 22705 B14R1.851 CCC1CCCN1CC(=O)N(C)CC 2230a_100000754278_100000738999 [0,1,0,1,0,0|2,0,0]=4 22706 B14R1.851 CCC1CCCN1CC(=O)N(C)CC 269982a_100000754278_100000738999 [0,1,0,1,0,0|2,0,0]=4 22707 B14R1.851 CCC1CCCN1CC(=O)N(C)CC 34a_100000754278_100000738999 [0,1,0,1,0,0|2,0,0]=4 22708 B14R1.986 C/C=C(\C)/C(=O)CCCC1CCCC1 1458a_100020587367_100011713738 [0,1,0,1,0,0|1,0,1]=4 22709 B14R1.986 CCC(C)C(=O)CCCC1CCCC1 1458a_100011192722_100011713738 [0,1,0,1,0,0|1,0,0]=3 22710 B14R1.986 CCC(C)C(=O)CCCN1CCCC1 1458a_100000743284_100000758301 [0,1,0,1,0,0|2,0,0]=4 22711 B14R1.986 CCC(C)C(=O)CCCN1CCCC1 1458a_100011192722_100011445909 [0,1,0,1,0,0|2,0,0]=4 22712 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 11a_100000739158_100011192722 [0,1,0,1,0,0|2,0,0]=4 22713 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 1626a_100000739158_100011192722 [0,1,0,1,0,0|2,0,0]=4 22714 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 240690a_100000739158_100011192722 [0,1,0,1,0,0|2,0,0]=4 22715 B14R1.986 CCC(C)C(=O)NCCC1CCCC1 527a_100000739158_100011192722 [0,1,0,1,0,0|2,0,0]=4 22716 B14R1.986 CCC(O)C(=O)CCCC1CCCC1 1458a_100011196387_100011713738 [0,1,0,1,0,0|1,0,0]=3 22717 B14R1.986 CCC(O)C(=O)CCCN1CCCC1 1458a_100011196387_100011445909 [0,1,0,1,0,0|2,0,0]=4 22718 B14R1.986 CCC(O)C(=O)NCCC1CCCC1 240690a_100000739158_100011196387 [0,1,0,1,0,0|2,0,0]=4 22719 B14R1.986 CCN(C)C(=O)CCCN1CCCC1 240690a_100000225621_100000743284 [0,1,0,1,0,0|2,0,0]=4 22720 B14R1.986 CCN(C)C(=O)CNCC1CCCC1 2230a_100000737975_100000738999 [0,1,0,1,0,0|2,0,0]=4 22721 B14R1.986 CCN(C)C(=O)CNCC1CCCC1 34a_100000737975_100000738999 [0,1,0,1,0,0|2,0,0]=4 22722 B14R1.986 CCN(C)C(=O)COCC1CCCC1 34a_100000742336_100000738999 [0,1,0,1,0,0|2,0,0]=4 22723 B14R1.986 CCN(C)C(=O)COCC1CCCC1 7a_100000742336_100000738999 [0,1,0,1,0,0|2,0,0]=4 22724 B14R1.986 CCN(C)C(=O)CSCC1CCCC1 62a_100000738999_100000740388 [0,1,0,1,0,0|2,0,0]=4 22725 B14R1.986 CCN(C)C(=O)CSCC1CCCC1 62a_100000740388_100000738999 [0,1,0,1,0,0|2,0,0]=4 22726 B14R1.986 CCN(C)C(=O)NCCC1CCCC1 2708a_100000739158_100000225621 [0,1,0,1,0,0|2,0,0]=4 22727 B14R1.986 CCN(C)C(=O)NCCC1CCCC1 273464a_100000739158_100000225621 [0,1,0,1,0,0|2,0,0]=4 22728 B14R1.986 CNC(=O)C(=O)CCCC1CCCC1 1458a_100011218921_100011713738 [0,1,0,1,0,0|2,0,0]=4 22729 B14R1.986 COC(C)C(=O)CCCC1CCCC1 1458a_100000743197_100011713738 [0,1,0,1,0,0|2,0,0]=4 22730 B14R1.986 CSC(C)C(=O)CCCC1CCCC1 1458a_100000149566_100011713738 [0,1,0,1,0,0|2,0,0]=4 22731 B14R1.986 O=C(CCCC1CCCC1)C(O)CO 1458a_100011215603_100011713738 [0,1,0,1,0,0|2,0,0]=4 22732 B14R1.987 CCC(C)C(=O)CCC1CCCN1C 1458a_100011192722_100000005710 [0,1,0,1,0,0|2,0,0]=4 22733 B14R1.987 CCC(O)C(=O)CCC1CCCN1C 1458a_100011196387_100000005710 [0,1,0,1,0,0|2,0,0]=4 22734 B14R1.987 CCN(C)C(=O)COC1CCCC1C 34a_100011216460_100000738999 [0,1,0,1,0,0|2,0,0]=4 22735 B14R1.987 CCN(C)C(=O)COC1CCCC1C 7a_100011216460_100000738999 [0,1,0,1,0,0|2,0,0]=4 22736 B14R1.1001 CCC(C)C(=O)C1CCCCCN1C 1458a_100015187800_100000758301 [0,1,0,1,0,0|2,0,0]=4 22737 B14R1.1001 CCN(C)C(=O)C1CCCCCN1C 240690a_100000225621_100015187800 [0,1,0,1,0,0|2,0,0]=4 22738 B14R1.1001 CCN(C)C(=O)C1CCCCCN1C 527a_100000225621_100015187800 [0,1,0,1,0,0|2,0,0]=4 22739 B14R1.1007 CCC(C)C(=O)CC1CCCCN1C 1458a_100011192722_100015185383 [0,1,0,1,0,0|2,0,0]=4 22740 B14R1.1007 CCC(C)C(=O)NC1CCCCC1C 11a_100000211402_100011192722 [0,1,0,1,0,0|2,0,0]=4 22741 B14R1.1007 CCC(C)C(=O)NC1CCCCC1C 1626a_100000211402_100011192722 [0,1,0,1,0,0|2,0,0]=4 22742 B14R1.1007 CCC(C)C(=O)NC1CCCCC1C 240690a_100000211402_100011192722 [0,1,0,1,0,0|2,0,0]=4 22743 B14R1.1007 CCC(C)C(=O)NC1CCCCC1C 527a_100000211402_100011192722 [0,1,0,1,0,0|2,0,0]=4 22744 B14R1.1007 CCC(O)C(=O)CC1CCCCN1C 1458a_100011196387_100015185383 [0,1,0,1,0,0|2,0,0]=4 22745 B14R1.1007 CCC(O)C(=O)NC1CCCCC1C 240690a_100000211402_100011196387 [0,1,0,1,0,0|2,0,0]=4 22746 B14R1.1007 CCN(C)C(=O)CN1CCCCC1C 2230a_100000211376_100000738999 [0,1,0,1,0,0|2,0,0]=4 22747 B14R1.1007 CCN(C)C(=O)CN1CCCCC1C 269982a_100000211376_100000738999 [0,1,0,1,0,0|2,0,0]=4 22748 B14R1.1007 CCN(C)C(=O)CN1CCCCC1C 34a_100000211376_100000738999 [0,1,0,1,0,0|2,0,0]=4 22749 B14R1.1007 CCN(C)C(=O)NC1CCCCC1C 2708a_100000211402_100000225621 [0,1,0,1,0,0|2,0,0]=4 22750 B14R1.1007 CCN(C)C(=O)NC1CCCCC1C 273464a_100000211402_100000225621 [0,1,0,1,0,0|2,0,0]=4 22751 B14R1.2770 CCC(C)C(=O)N1CCCCCCC1 11a_100000211400_100011192722 [0,1,0,1,0,0|2,0,0]=4 22752 B14R1.2770 CCC(C)C(=O)N1CCCCCCC1 1626a_100000211400_100011192722 [0,1,0,1,0,0|2,0,0]=4 22753 B14R1.2770 CCC(C)C(=O)N1CCCCCCC1 240690a_100000211400_100011192722 [0,1,0,1,0,0|2,0,0]=4 22754 B14R1.2770 CCC(C)C(=O)N1CCCCCCC1 527a_100000211400_100011192722 [0,1,0,1,0,0|2,0,0]=4 22755 B14R1.2770 CCC(O)C(=O)N1CCCCCCC1 240690a_100000211400_100011196387 [0,1,0,1,0,0|2,0,0]=4 22756 B14R1.2861 C/C=C(\C)/C(=O)CC1CCCCCC1 1458a_100020587367_200000696569 [0,1,0,1,0,0|1,0,1]=4 22757 B14R1.2861 CCC(=O)C(=O)NC1CCCCCC1 1458a_100011297277_100000210202 [0,1,0,1,0,0|2,0,0]=4 22758 B14R1.2861 CCC(C)C(=O)CC1CCCCCC1 1458a_100000685095_100000758301 [0,1,0,1,0,0|1,0,0]=3 22759 B14R1.2861 CCC(C)C(=O)CC1CCCCCC1 1458a_100011192722_200000696569 [0,1,0,1,0,0|1,0,0]=3 22760 B14R1.2861 CCC(C)C(=O)CN1CCCCCC1 1458a_100000740298_100000758301 [0,1,0,1,0,0|2,0,0]=4 22761 B14R1.2861 CCC(C)C(=O)NC1CCCCCC1 11a_100000210984_100011192722 [0,1,0,1,0,0|2,0,0]=4 22762 B14R1.2861 CCC(C)C(=O)NC1CCCCCC1 1626a_100000210984_100011192722 [0,1,0,1,0,0|2,0,0]=4 22763 B14R1.2861 CCC(C)C(=O)NC1CCCCCC1 240690a_100000210984_100011192722 [0,1,0,1,0,0|2,0,0]=4 22764 B14R1.2861 CCC(C)C(=O)NC1CCCCCC1 527a_100000210984_100011192722 [0,1,0,1,0,0|2,0,0]=4 22765 B14R1.2861 CCC(O)C(=O)CC1CCCCCC1 1458a_100011196387_200000696569 [0,1,0,1,0,0|1,0,0]=3 22766 B14R1.2861 CCC(O)C(=O)NC1CCCCCC1 240690a_100000210984_100011196387 [0,1,0,1,0,0|2,0,0]=4 22767 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 11a_100000225621_100000685095 [0,1,0,1,0,0|1,0,0]=3 22768 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 1626a_100000225621_100000685095 [0,1,0,1,0,0|1,0,0]=3 22769 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 240690a_100000225621_100000685095 [0,1,0,1,0,0|1,0,0]=3 22770 B14R1.2861 CCN(C)C(=O)CC1CCCCCC1 527a_100000225621_100000685095 [0,1,0,1,0,0|1,0,0]=3 22771 B14R1.2861 CCN(C)C(=O)CN1CCCCCC1 11a_100000225621_100000740298 [0,1,0,1,0,0|2,0,0]=4 22772 B14R1.2861 CCN(C)C(=O)CN1CCCCCC1 2230a_100000185865_100000738999 [0,1,0,1,0,0|2,0,0]=4 22773 B14R1.2861 CCN(C)C(=O)CN1CCCCCC1 240690a_100000225621_100000740298 [0,1,0,1,0,0|2,0,0]=4 22774 B14R1.2861 CCN(C)C(=O)CN1CCCCCC1 269982a_100000185865_100000738999 [0,1,0,1,0,0|2,0,0]=4 22775 B14R1.2861 CCN(C)C(=O)CN1CCCCCC1 34a_100000185865_100000738999 [0,1,0,1,0,0|2,0,0]=4 22776 B14R1.2861 CCN(C)C(=O)CN1CCCCCC1 527a_100000225621_100000740298 [0,1,0,1,0,0|2,0,0]=4 22777 B14R1.2861 CCN(C)C(=O)NC1CCCCCC1 2708a_100000210984_100000225621 [0,1,0,1,0,0|2,0,0]=4 22778 B14R1.2861 CCN(C)C(=O)NC1CCCCCC1 273464a_100000210984_100000225621 [0,1,0,1,0,0|2,0,0]=4 22779 B14R1.2861 CNC(=O)C(=O)CC1CCCCCC1 1458a_100011218921_200000696569 [0,1,0,1,0,0|2,0,0]=4 22780 B14R1.2861 COC(C)C(=O)CC1CCCCCC1 1458a_100000743197_200000696569 [0,1,0,1,0,0|2,0,0]=4 22781 B14R1.2861 CSC(C)C(=O)CC1CCCCCC1 1458a_100000149566_200000696569 [0,1,0,1,0,0|2,0,0]=4 22782 B14R1.2861 O=C(CC1CCCCCC1)C(O)CO 1458a_100011215603_200000696569 [0,1,0,1,0,0|2,0,0]=4 22783 B14R1.3452 CCCCCCNC1CCN(C1=O)C 2230a_100000210581_100000755940 [0,1,0,1,0,0|2,0,0]=4 22784 B14R1.3452 CCCCCCOC1CCN(C1=O)C 34a_100000210259_100000755940 [0,1,0,1,0,0|2,0,0]=4 22785 B14R1.3452 CCCCCCOC1CCN(C1=O)C 7a_100000210259_100000755940 [0,1,0,1,0,0|2,0,0]=4 22786 B14R1.3452 CCCCCCSC1CCN(C1=O)C 62a_100000210314_100000755940 [0,1,0,1,0,0|2,0,0]=4 22787 B14R1.3452 CCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210757 [0,1,0,1,0,0|2,0,0]=4 22788 B14R1.3452 CCCCCOCC1CCN(C1=O)C 34a_100009823153_100000718602 [0,1,0,1,0,0|2,0,0]=4 22789 B14R1.3769 CC1(CC1)C(=O)CCCCCCCO 1458a_100000756474_100000760002 [0,1,0,1,0,0|2,0,0]=4 22790 B14R1.3769 CCCCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210759 [0,1,0,1,0,0|1,0,0]=3 22791 B14R1.3769 CCCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210759 [0,1,0,1,0,0|1,0,0]=3 22792 B14R1.3769 CCCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210759 [0,1,0,1,0,0|1,0,0]=3 22793 B14R1.3769 CCCCCCCNC(=O)C1(CC1)C 11a_100000229938_100000756474 [0,1,0,1,0,0|2,0,0]=4 22794 B14R1.3769 CCCCCCCNC(=O)C1(CC1)C 1626a_100000229938_100000756474 [0,1,0,1,0,0|2,0,0]=4 22795 B14R1.3769 CCCCCCCNC(=O)C1(CC1)C 240690a_100000229938_100000756474 [0,1,0,1,0,0|2,0,0]=4 22796 B14R1.3769 CCCCCCCNC(=O)C1(CC1)C 527a_100000229938_100000756474 [0,1,0,1,0,0|2,0,0]=4 22797 B14R1.3769 CCCCCCCNC(=O)C1(CC1)F 11a_100000229938_100000055089 [0,1,0,1,0,0|2,0,0]=4 22798 B14R1.3769 CCCCCCCNC(=O)C1(CC1)F 1626a_100000229938_100000055089 [0,1,0,1,0,0|2,0,0]=4 22799 B14R1.3769 CCCCCCCNC(=O)C1(CC1)F 240690a_100000229938_100000055089 [0,1,0,1,0,0|2,0,0]=4 22800 B14R1.3769 CCCCCCCNC(=O)C1(CC1)F 527a_100000229938_100000055089 [0,1,0,1,0,0|2,0,0]=4 22801 B14R1.3769 CCCCCCCNC(=O)C1(CC1)O 240690a_100000229938_100000241761 [0,1,0,1,0,0|2,0,0]=4 22802 B14R1.3769 COCCCCCCC(=O)C1(CC1)C 1458a_100000756474_100011998445 [0,1,0,1,0,0|2,0,0]=4 22803 B14R1.3769 COCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100011998445 [0,1,0,1,0,0|2,0,0]=4 22804 B14R1.3769 COCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100011998445 [0,1,0,1,0,0|2,0,0]=4 22805 B14R1.3769 O=C(CCCCCCCO)C1(CC1)F 1458a_100000055089_100000760002 [0,1,0,1,0,0|2,0,0]=4 22806 B14R1.3769 O=C(CCCCCCCO)C1(CC1)O 1458a_100000241761_100000760002 [0,1,0,1,0,0|2,0,0]=4 22807 B14R1.8134 CCCCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210326 [0,1,0,1,0,0|2,0,0]=4 22808 B14R1.8134 CCCCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210215 [0,1,0,1,0,0|2,0,0]=4 22809 B14R1.8134 CCCCCN1CCC(=O)N(CC1)C 34a_100020591582_100000718602 [0,1,0,1,0,0|2,0,0]=4 22810 B14R1.6823 CCOC(=O)CN1CCN(C[C@@H]1C)C 2230a_100012002466_100000188475 [0,1,0,1,0,0|2,0,0]=4 22811 B14R1.6823 CCOC(=O)CN1CCN(C[C@@H]1C)C 269982a_100012002466_100000188475 [0,1,0,1,0,0|2,0,0]=4 22812 B14R1.7170 CCCC(C)CCOCC(=O)C1CC1 34a_100011217855_100000746382 [0,1,0,1,0,0|2,0,0]=4 22813 B14R1.7170 CCCC(C)CCOCC(=O)C1CC1 7a_100011217855_100000746382 [0,1,0,1,0,0|2,0,0]=4 22814 B14R1.7170 CCC[C@H](N)CCOCC(=O)C1CC1 34a_100015193777_100000746382 [0,1,0,1,0,0|2,0,0]=4 22815 B14R1.7170 CCNC(=O)CCNCC(O)C1CC1 2230a_100000751198_100000737597 [0,1,0,1,0,0|2,0,0]=4 22816 B14R1.7170 CCOC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000750268 [0,1,0,1,0,0|0,0,1]=3 22817 B14R1.7170 CCOC(=O)CCCCC(=O)C1CO1 1458a_100000701028_100000750268 [0,1,0,1,0,0|1,0,1]=4 22818 B14R1.7170 CCOC(=O)CCCCN(C)C1CC1 2230a_100000226674_100000750268 [0,1,0,1,0,0|1,0,0]=3 22819 B14R1.7170 CCOC(=O)CCCCN(C)C1CC1 269982a_100000226674_100000750268 [0,1,0,1,0,0|1,0,0]=3 22820 B14R1.7170 CCOC(=O)CCCNC(=O)C1CC1 188690a_100000211256_100000210395 [0,1,0,1,0,0|1,0,1]=4 22821 B14R1.7170 CCOC(=O)CCCNC(C)C1CC1 2230a_100000700016_100009991533 [0,1,0,1,0,0|1,0,0]=3 22822 B14R1.7170 CCOC(=O)CCCNC(C)C1CC1 34a_100000700016_100009991533 [0,1,0,1,0,0|1,0,0]=3 22823 B14R1.7170 CCOC(=O)CCCOC(C)C1CC1 34a_100000744524_100009991533 [0,1,0,1,0,0|1,0,0]=3 22824 B14R1.7170 CCOC(=O)CCCOC(C)C1CC1 7a_100000744524_100011215271 [0,1,0,1,0,0|1,0,0]=3 22825 B14R1.7170 CCOC(=O)CCNCC(O)C1CC1 2230a_100000751198_100011206558 [0,1,0,1,0,0|1,0,0]=3 22826 B14R1.7170 CCOC(=O)CCNCC(O)C1CC1 34a_100000751198_100000765890 [0,1,0,1,0,0|1,0,0]=3 22827 B14R1.7170 CCOC(=O)CCOCC(=O)C1CC1 34a_100000686663_100000765890 [0,1,0,1,0,0|1,0,1]=4 22828 B14R1.7170 CCOC(=O)CCOC[C@H](N)C1CC1 34a_100020623730_100000765890 [0,1,0,1,0,0|1,0,0]=3 22829 B14R1.7170 CCOC(=O)CCSCC(=O)C1CC1 62a_100000746382_100000765890 [0,1,0,1,0,0|1,0,1]=4 22830 B14R1.7170 CCOC(=O)CCSCC(=O)C1CC1 62a_100000765890_100000746382 [0,1,0,1,0,0|1,0,1]=4 22831 B14R1.7170 CCOC(=O)COCCC(=O)C1CC1 1458a_100000210395_100000088970 [0,1,0,1,0,0|1,0,1]=4 22832 B14R1.7170 CCOC(=O)COCCN(C)C1CC1 2230a_100000226674_100000088970 [0,1,0,1,0,0|2,0,0]=4 22833 B14R1.7170 CCOC(=O)COCCN(C)C1CC1 269982a_100000226674_100000088970 [0,1,0,1,0,0|2,0,0]=4 22834 B14R1.7170 CCOC(=O)NCCOC(C)C1CC1 7a_100000744524_200011445536 [0,1,0,1,0,0|2,0,0]=4 22835 B14R1.10211 CCNC(=O)CCNCC1(CCC1)C 2230a_100000706607_100000737597 [0,1,0,1,0,0|2,0,0]=4 22836 B14R1.10211 CCNC(=O)CCNCC1(CCC1)C 34a_100025743525_100000726658 [0,1,0,1,0,0|2,0,0]=4 22837 B14R1.10211 CCNC(=O)CCNCC1(CCC1)O 2230a_100000752638_100000737597 [0,1,0,1,0,0|2,0,0]=4 22838 B14R1.10211 CCNC(=O)CCSCC1(CCC1)C 62a_100000726658_100000737597 [0,1,0,1,0,0|2,0,0]=4 22839 B14R1.10211 CCNC(=O)CCSCC1(CCC1)C 62a_100000737597_100000726658 [0,1,0,1,0,0|2,0,0]=4 22840 B14R1.10211 CCOC(=O)CCCNC1(CCC1)C 2230a_100000692455_100009991533 [0,1,0,1,0,0|1,0,0]=3 22841 B14R1.10211 CCOC(=O)CCCNC1(CCC1)C 34a_100000692455_100009991533 [0,1,0,1,0,0|1,0,0]=3 22842 B14R1.10211 CCOC(=O)CCCNC1(COC1)C 2230a_100000732644_100009991533 [0,1,0,1,0,0|2,0,0]=4 22843 B14R1.10211 CCOC(=O)CCCOC1(CCC1)C 34a_100000759064_100009991533 [0,1,0,1,0,0|1,0,0]=3 22844 B14R1.10211 CCOC(=O)CCCOC1(CCC1)C 7a_100000759064_100011215271 [0,1,0,1,0,0|1,0,0]=3 22845 B14R1.10211 CCOC(=O)CCCOC1(CSC1)C 7a_100016018533_100011215271 [0,1,0,1,0,0|2,0,0]=4 22846 B14R1.10211 CCOC(=O)CCNCC1(CCC1)C 2230a_100000706607_100011206558 [0,1,0,1,0,0|1,0,0]=3 22847 B14R1.10211 CCOC(=O)CCNCC1(CCC1)O 2230a_100000752638_100011206558 [0,1,0,1,0,0|1,0,0]=3 22848 B14R1.10211 CCOC(=O)CCNCC1(COC1)C 2230a_100020631278_100011206558 [0,1,0,1,0,0|2,0,0]=4 22849 B14R1.10211 CCOC(=O)CCNCC1(COC1)O 2230a_100010264505_100011206558 [0,1,0,1,0,0|2,0,0]=4 22850 B14R1.10211 CCOC(=O)CCOCC1(CSC1)C 34a_100000732658_100000765890 [0,1,0,1,0,0|2,0,0]=4 22851 B14R1.10211 CCOC(=O)CCOCC1(CSC1)C 7a_100000732658_100011206558 [0,1,0,1,0,0|2,0,0]=4 22852 B14R1.10211 CCOC(=O)CCSCC1(CCC1)C 62a_100000726658_100000765890 [0,1,0,1,0,0|1,0,0]=3 22853 B14R1.10211 CCOC(=O)CCSCC1(CCC1)C 62a_100000765890_100000726658 [0,1,0,1,0,0|1,0,0]=3 22854 B14R1.10211 CCOC(=O)CCSCC1(COC1)C 62a_100000765890_100009817586 [0,1,0,1,0,0|2,0,0]=4 22855 B14R1.10211 CCOC(=O)CCSCC1(COC1)C 62a_100009817586_100000765890 [0,1,0,1,0,0|2,0,0]=4 22856 B14R1.10211 CCOC(=O)NCCOC1(CCC1)C 7a_100000759064_200011445536 [0,1,0,1,0,0|2,0,0]=4 22857 B14R1.10211 CCOC(=O)OCSCC1(CCC1)C 62a_100000726658_100000075025 [0,1,0,1,0,0|2,0,0]=4 22858 B14R2.21 O=C1CN(CCN1)C2CCCCC2 270004a_100000184651_100000210434 [0,0,0,2,0,0|2,0,0]=4 22859 B14R2.21 O=C1CN(CCO1)C2CCCCC2 270004a_100000131268_100000210434 [0,0,0,2,0,0|1,0,0]=3 22860 B14R2.21 O=C1CN(CCO1)C2CCCOC2 270004a_100000131268_100000753404 [0,0,0,2,0,0|2,0,0]=4 22861 B14R2.21 O=C1CN(CCO1)C2CCCSC2 270004a_100000131268_100000057913 [0,0,0,2,0,0|2,0,0]=4 22862 B14R2.21 O=C1CN(CCO1)C2CCNCC2 270004a_100000131268_100015192401 [0,0,0,2,0,0|2,0,0]=4 22863 B14R2.21 O=C1CN(CCO1)C2CCOCC2 270004a_100000131268_100011217826 [0,0,0,2,0,0|2,0,0]=4 22864 B14R2.21 O=C1CN(CCO1)C2CCSCC2 270004a_100000131268_100000203788 [0,0,0,2,0,0|2,0,0]=4 22865 B14R2.269 CC1OCCC1N2CCOC(=O)C2 270004a_100000131268_100000691750 [0,0,0,2,0,0|2,0,0]=4 22866 B14R2.716 O=C1CC(CCN1)NC2CCCC2 2230a_100016994916_100000179811 [0,0,0,2,0,0|2,0,0]=4 22867 B14R2.716 O=C1CC(CCN1)NC2CCCC2 34a_100016994916_100000179811 [0,0,0,2,0,0|2,0,0]=4 22868 B14R2.716 O=C1CCCC(C1)OC2CCCC2 34a_100012613340_100000179811 [0,0,0,2,0,0|2,0,0]=4 22869 B14R2.716 O=C1CN(CCN1)CC2CCCC2 2230a_100000184651_100000740388 [0,0,0,2,0,0|2,0,0]=4 22870 B14R2.716 O=C1CN(CCO1)CC2CCCC2 2230a_100000131268_100000740388 [0,0,0,2,0,0|1,0,0]=3 22871 B14R2.716 O=C1CN(CCO1)CC2CCCO2 2230a_100000131268_100000203698 [0,0,0,2,0,0|2,0,0]=4 22872 B14R2.716 O=C1CN(CCO1)CC2CCOC2 2230a_100000131268_100000702531 [0,0,0,2,0,0|2,0,0]=4 22873 B14R2.716 O=C1C[C@@H](CCN1)OC2CCCC2 34a_100015189427_100000179811 [0,0,0,2,0,0|2,0,0]=4 22874 B14R2.4475 O=C1CC(CCN1)COC2CCC2 34a_100009886756_100000749161 [0,0,0,2,0,0|2,0,0]=4 22875 B14R2.4475 O=C1CC(CCN1)NCC2CCC2 2230a_100016994916_100000763275 [0,0,0,2,0,0|2,0,0]=4 22876 B14R2.4475 O=C1CC(CCN1)NCC2CCC2 269862a_100016994916_100000753134 [0,0,0,2,0,0|2,0,0]=4 22877 B14R2.4475 O=C1CC(CCN1)NCC2CCC2 34a_100016994916_100000763275 [0,0,0,2,0,0|2,0,0]=4 22878 B14R2.4475 O=C1CCCC(C1)OCC2CCC2 34a_100012613340_100000763275 [0,0,0,2,0,0|2,0,0]=4 22879 B14R2.4475 O=C1C[C@@H](CCN1)OCC2CCC2 34a_100015189427_100000763275 [0,0,0,2,0,0|2,0,0]=4 22880 B14R2.9061 O=C1CC(CCN1)COCC2CC2 34a_100009886756_100000742324 [0,0,0,2,0,0|2,0,0]=4 22881 B14R2.9061 O=C1CC(CCN1)NCCC2CC2 2230a_100016994916_100000694398 [0,0,0,2,0,0|2,0,0]=4 22882 B14R2.9061 O=C1CC(CCN1)NCCC2CC2 34a_100016994916_100000694398 [0,0,0,2,0,0|2,0,0]=4 22883 B14R2.9061 O=C1CCCC(C1)OCCC2CC2 34a_100012613340_100000694398 [0,0,0,2,0,0|2,0,0]=4 22884 B14R2.9061 O=C1CN(CCO1)CCCC2CO2 2230a_100000131268_100000733510 [0,0,0,2,0,0|2,0,0]=4 22885 B14R2.9061 O=C1C[C@@H](CCN1)OCCC2CC2 34a_100015189427_100000694398 [0,0,0,2,0,0|2,0,0]=4 22886 B14R2.30 O=C1CCCC1NC2CCCCC2 2230a_100000182618_100000211823 [0,0,0,2,0,0|2,0,0]=4 22887 B14R2.30 O=C1CCCC1NC2CCCCC2 34a_100000182618_100000709159 [0,0,0,2,0,0|2,0,0]=4 22888 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_100000210231_100000709159 [0,0,0,2,0,0|2,0,0]=4 22889 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_200000719330_100000210327 [0,0,0,2,0,0|2,0,0]=4 22890 B14R2.30 O=C1CCCC1OC2CCCCC2 7a_100000210231_100000211823 [0,0,0,2,0,0|2,0,0]=4 22891 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000210327_100000211823 [0,0,0,2,0,0|2,0,0]=4 22892 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000211823_100000210327 [0,0,0,2,0,0|2,0,0]=4 22893 B14R2.30 O=C1NCCC1NC2CCCCC2 270004a_100016995588_100000210434 [0,0,0,2,0,0|2,0,0]=4 22894 B14R2.30 O=C1NCCC1NC2CCCCC2 34a_100016995588_100000210327 [0,0,0,2,0,0|2,0,0]=4 22895 B14R2.30 O=C1NCC[C@@H]1OC2CCCCC2 34a_100000688343_100000210327 [0,0,0,2,0,0|2,0,0]=4 22896 B14R2.30 O=C1OCCC1NC2CCCCC2 2230a_100000182618_100000211211 [0,0,0,2,0,0|1,0,0]=3 22897 B14R2.30 O=C1OCCC1NC2CCCCC2 34a_100000182618_100000211211 [0,0,0,2,0,0|1,0,0]=3 22898 B14R2.30 O=C1OCCC1NC2CCCOC2 2230a_100000719290_100000211211 [0,0,0,2,0,0|2,0,0]=4 22899 B14R2.30 O=C1OCCC1NC2CCCOC2 34a_100000719290_100000211211 [0,0,0,2,0,0|2,0,0]=4 22900 B14R2.30 O=C1OCCC1NC2CCOCC2 2230a_100000741149_100000211211 [0,0,0,2,0,0|2,0,0]=4 22901 B14R2.30 O=C1OCCC1NC2CCOCC2 34a_100000741149_100000211211 [0,0,0,2,0,0|2,0,0]=4 22902 B14R2.30 O=C1OCCC1NC2CCSCC2 2230a_100000748639_100000211211 [0,0,0,2,0,0|2,0,0]=4 22903 B14R2.30 O=C1OCCC1NC2CCSCC2 34a_100000748639_100000211211 [0,0,0,2,0,0|2,0,0]=4 22904 B14R2.30 O=C1OCCC1OC2CCCCC2 34a_100000210231_100000211211 [0,0,0,2,0,0|1,0,0]=3 22905 B14R2.30 O=C1OCCC1OC2CCCCC2 7a_100000210231_100000211211 [0,0,0,2,0,0|1,0,0]=3 22906 B14R2.30 O=C1OCCC1OC2CCCCO2 34a_100000033831_100000211211 [0,0,0,2,0,0|2,0,0]=4 22907 B14R2.30 O=C1OCCC1OC2CCCOC2 34a_100000754041_100000211211 [0,0,0,2,0,0|2,0,0]=4 22908 B14R2.30 O=C1OCCC1OC2CCCSC2 7a_100015962668_100000211211 [0,0,0,2,0,0|2,0,0]=4 22909 B14R2.30 O=C1OCCC1OC2CCOCC2 34a_100000744328_100000211211 [0,0,0,2,0,0|2,0,0]=4 22910 B14R2.30 O=C1OCCC1OC2CCSCC2 34a_100000731022_100000211211 [0,0,0,2,0,0|2,0,0]=4 22911 B14R2.30 O=C1OCCC1OC2CCSCC2 7a_100000731022_100000211211 [0,0,0,2,0,0|2,0,0]=4 22912 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000210327_100000211211 [0,0,0,2,0,0|1,0,0]=3 22913 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000211211_100000210327 [0,0,0,2,0,0|1,0,0]=3 22914 B14R2.30 O=C1OCCC1SC2CCCOC2 62a_100000211211_100000693364 [0,0,0,2,0,0|2,0,0]=4 22915 B14R2.30 O=C1OCCC1SC2CCOCC2 62a_100000211211_100011324220 [0,0,0,2,0,0|2,0,0]=4 22916 B14R2.30 O=C1OCCC1SC2CCSCC2 62a_100000211211_100000069128 [0,0,0,2,0,0|2,0,0]=4 22917 B14R2.112 CCOC1CCC2CCCCC2C1 34a_100000211317_100000210202 [0,0,0,2,0,0|1,0,1]=4 22918 B14R2.112 CCOC1CCC2CCCCC2C1 7a_100000211317_100000210202 [0,0,0,2,0,0|1,0,1]=4 22919 B14R2.836 CCCC(=O)C1CC12CCOCC2 1458a_100000766831_100000210303 [0,0,0,2,0,0|2,0,0]=4 22920 B14R2.836 CCNC(=O)C1CC12CCOCC2 11a_100015525214_100000766831 [0,0,0,2,0,0|2,0,0]=4 22921 B14R2.836 CCNC(=O)C1CC12CCOCC2 240690a_100015525214_100000766831 [0,0,0,2,0,0|2,0,0]=4 22922 B14R2.836 CCNC(=O)C1CC12CCOCC2 527a_100015525214_100000766831 [0,0,0,2,0,0|2,0,0]=4 22923 B14R2.2899 O=C(CCC1CCCCC1)C2CC2 1458a_100000210395_100011273959 [0,0,0,2,0,0|1,0,0]=3 22924 B14R2.2899 O=C(CCC1CCCCC1)C2CO2 1458a_100000701028_100011273959 [0,0,0,2,0,0|2,0,0]=4 22925 B14R2.2899 O=C(CCC1CCOCC1)C2CC2 1458a_100000210395_100011934994 [0,0,0,2,0,0|2,0,0]=4 22926 B14R2.2899 O=C(CCN1CCCCC1)C2CC2 1458a_100000210395_100000739454 [0,0,0,2,0,0|2,0,0]=4 22927 B14R2.2899 O=C(CNC1CCCCC1)C2CC2 2230a_100000182618_100000746382 [0,0,0,2,0,0|2,0,0]=4 22928 B14R2.2899 O=C(CNC1CCCCC1)C2CC2 34a_100000182618_100000746382 [0,0,0,2,0,0|2,0,0]=4 22929 B14R2.2899 O=C(COC1CCCCC1)C2CC2 1458a_100000210395_100011935260 [0,0,0,2,0,0|2,0,0]=4 22930 B14R2.2899 O=C(COC1CCCCC1)C2CC2 34a_100000210231_100000746382 [0,0,0,2,0,0|2,0,0]=4 22931 B14R2.2899 O=C(COC1CCCCC1)C2CC2 34a_100000686663_100000210327 [0,0,0,2,0,0|2,0,0]=4 22932 B14R2.2899 O=C(COC1CCCCC1)C2CC2 7a_100000210231_100000746382 [0,0,0,2,0,0|2,0,0]=4 22933 B14R2.2899 O=C(CSC1CCCCC1)C2CC2 62a_100000210327_100000746382 [0,0,0,2,0,0|2,0,0]=4 22934 B14R2.2899 O=C(CSC1CCCCC1)C2CC2 62a_100000746382_100000210327 [0,0,0,2,0,0|2,0,0]=4 22935 B14R2.2899 O=C(NCC1CCCCC1)C2CC2 11a_100000210473_100000210395 [0,0,0,2,0,0|2,0,0]=4 22936 B14R2.2899 O=C(NCC1CCCCC1)C2CC2 1626a_100000210473_100000210395 [0,0,0,2,0,0|2,0,0]=4 22937 B14R2.2899 O=C(NCC1CCCCC1)C2CC2 240690a_100000210473_100000210395 [0,0,0,2,0,0|2,0,0]=4 22938 B14R2.2899 O=C(NCC1CCCCC1)C2CC2 527a_100000210473_100000210395 [0,0,0,2,0,0|2,0,0]=4 22939 B14R2.9917 CCCC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747444 [0,0,0,2,0,0|2,0,0]=4 22940 B14R2.9917 CCCC(=O)CN1C2CCC1CC2 269982a_100000735658_100000747444 [0,0,0,2,0,0|2,0,0]=4 22941 B14R2.9917 CCNC(=O)CN1C2CCC1CC2 2230a_100000735658_100000183381 [0,0,0,2,0,0|2,0,0]=4 22942 B14R2.9917 CCNC(=O)CN1C2CCC1CC2 269982a_100000735658_100000183381 [0,0,0,2,0,0|2,0,0]=4 22943 B14R2.9917 CCNC(=O)CN1C2CCC1CC2 34a_100000735658_100000183381 [0,0,0,2,0,0|2,0,0]=4 22944 B14R2.9917 CCOC(=O)CN1C2CCC1CC2 2230a_100000735658_100000188475 [0,0,0,2,0,0|1,0,0]=3 22945 B14R2.9917 CCOC(=O)CN1C2CCC1CC2 269982a_100000735658_100000188475 [0,0,0,2,0,0|1,0,0]=3 22946 B14R2.9917 CCOC(=O)CN1C2CCC1CC2 34a_100000735658_100000188475 [0,0,0,2,0,0|1,0,0]=3 22947 B14R2.9937 CCOC(=O)CNC1C2C1COC2 2230a_100000702821_100000188475 [0,0,0,2,0,0|2,0,0]=4 22948 B14R2.9937 CCOC(=O)CNC1C2C1COC2 34a_100000702821_100000188475 [0,0,0,2,0,0|2,0,0]=4 22949 B14R2.9942 CCNC(=O)CCN1CC2CC2C1 2230a_100000741873_100000737597 [0,0,0,2,0,0|2,0,0]=4 22950 B14R2.9942 CCNC(=O)CCN1CC2CC2C1 269982a_100000741873_100000737597 [0,0,0,2,0,0|2,0,0]=4 22951 B14R2.9942 CCNC(=O)CNC1CC2CC2C1 270004a_100016988866_100010340937 [0,0,0,2,0,0|2,0,0]=4 22952 B14R2.9942 CCOC(=O)CCN1CC2CC2C1 2230a_100000741873_100011206558 [0,0,0,2,0,0|1,0,0]=3 22953 B14R2.9942 CCOC(=O)CCN1CC2CC2C1 269982a_100000741873_100011206558 [0,0,0,2,0,0|1,0,0]=3 22954 B14R2.9942 CCOC(=O)CCN1CC2CC2C1 34a_100000741873_100000765890 [0,0,0,2,0,0|1,0,0]=3 22955 B14R2.9964 CCCC(=O)C1CC2CCN1CC2 1458a_100102578056_100000210303 [0,0,0,2,0,0|2,0,0]=4 22956 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 11a_100000750499_100000211992 [0,0,0,2,0,0|2,0,0]=4 22957 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 1626a_100000750499_100000211992 [0,0,0,2,0,0|2,0,0]=4 22958 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 240690a_100000750499_100000211992 [0,0,0,2,0,0|2,0,0]=4 22959 B14R2.9964 CCCC(=O)N1CC2CCC1CC2 527a_100000750499_100000211992 [0,0,0,2,0,0|2,0,0]=4 22960 B14R2.9964 CCNC(=O)C1CC2CCN1CC2 240690a_100015525214_100102578056 [0,0,0,2,0,0|2,0,0]=4 22961 B14R2.9964 CCNC(=O)C1CC2CCN1CC2 527a_100015525214_100102578056 [0,0,0,2,0,0|2,0,0]=4 22962 B14R2.9964 CCNC(=O)C1CN2CCC1CC2 11a_100015525214_100000724783 [0,0,0,2,0,0|2,0,0]=4 22963 B14R2.9964 CCNC(=O)C1CN2CCC1CC2 240690a_100015525214_100000724783 [0,0,0,2,0,0|2,0,0]=4 22964 B14R2.9964 CCNC(=O)N1CC2CCC1CC2 2708a_100015525214_100000750499 [0,0,0,2,0,0|2,0,0]=4 22965 B14R2.9964 CCNC(=O)N1CC2CCC1CC2 273464a_100015525214_100000750499 [0,0,0,2,0,0|2,0,0]=4 22966 B14R2.15288 CCNC(=O)CNC1CCC2C1C2 270004a_100016988866_100000692480 [0,0,0,2,0,0|2,0,0]=4 22967 B14R2.15288 CCNC(=O)COC1CCC2C1C2 34a_200012295571_100000183381 [0,0,0,2,0,0|2,0,0]=4 22968 B14R2.15288 CCOC(=O)COC1CCC2C1C2 34a_200012295571_100000188475 [0,0,0,2,0,0|1,0,0]=3 22969 B14R2.384 O=C1CCCC1NCC2CCCC2 2230a_100000737975_100000211823 [0,0,0,2,0,0|2,0,0]=4 22970 B14R2.384 O=C1CCCC1NCC2CCCC2 34a_100000737975_100000709159 [0,0,0,2,0,0|2,0,0]=4 22971 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_100000742336_100000709159 [0,0,0,2,0,0|2,0,0]=4 22972 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_200000719330_100000740388 [0,0,0,2,0,0|2,0,0]=4 22973 B14R2.384 O=C1CCCC1OCC2CCCC2 7a_100000742336_100000211823 [0,0,0,2,0,0|2,0,0]=4 22974 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000211823_100000740388 [0,0,0,2,0,0|2,0,0]=4 22975 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000740388_100000211823 [0,0,0,2,0,0|2,0,0]=4 22976 B14R2.384 O=C1NCCC1COC2CCCC2 34a_100000133458_100000179811 [0,0,0,2,0,0|2,0,0]=4 22977 B14R2.384 O=C1NCCC1NCC2CCCC2 2230a_100016995588_100000740388 [0,0,0,2,0,0|2,0,0]=4 22978 B14R2.384 O=C1NCCC1NCC2CCCC2 34a_100016995588_100000740388 [0,0,0,2,0,0|2,0,0]=4 22979 B14R2.384 O=C1NCC[C@@H]1OCC2CCCC2 34a_100000688343_100000740388 [0,0,0,2,0,0|2,0,0]=4 22980 B14R2.384 O=C1OCCC1NCC2CCCC2 2230a_100000737975_100000211211 [0,0,0,2,0,0|1,0,0]=3 22981 B14R2.384 O=C1OCCC1NCC2CCCC2 34a_100000737975_100000211211 [0,0,0,2,0,0|1,0,0]=3 22982 B14R2.384 O=C1OCCC1NCC2CCOC2 2230a_100000737293_100000211211 [0,0,0,2,0,0|2,0,0]=4 22983 B14R2.384 O=C1OCCC1NCC2CCOC2 34a_100000737293_100000211211 [0,0,0,2,0,0|2,0,0]=4 22984 B14R2.384 O=C1OCCC1NC[C@@H]2CCCO2 2230a_100020590478_100000211211 [0,0,0,2,0,0|2,0,0]=4 22985 B14R2.384 O=C1OCCC1NC[C@@H]2CCCO2 34a_100020590478_100000211211 [0,0,0,2,0,0|2,0,0]=4 22986 B14R2.384 O=C1OCCC1OCC2CCCC2 34a_100000742336_100000211211 [0,0,0,2,0,0|1,0,0]=3 22987 B14R2.384 O=C1OCCC1OCC2CCCC2 7a_100000742336_100000211211 [0,0,0,2,0,0|1,0,0]=3 22988 B14R2.384 O=C1OCCC1OCC2CCCO2 34a_100000210270_100000211211 [0,0,0,2,0,0|2,0,0]=4 22989 B14R2.384 O=C1OCCC1OCC2CCCO2 7a_100000210270_100000211211 [0,0,0,2,0,0|2,0,0]=4 22990 B14R2.384 O=C1OCCC1OCC2CCNC2 34a_100000748654_100000211211 [0,0,0,2,0,0|2,0,0]=4 22991 B14R2.384 O=C1OCCC1OCC2CCOC2 34a_100000740260_100000211211 [0,0,0,2,0,0|2,0,0]=4 22992 B14R2.384 O=C1OCCC1OC[C@H]2CCCN2 34a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 22993 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000211211_100000740388 [0,0,0,2,0,0|1,0,0]=3 22994 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000740388_100000211211 [0,0,0,2,0,0|1,0,0]=3 22995 B14R2.384 O=C1OCCC1SCC2CCCO2 62a_100000203698_100000211211 [0,0,0,2,0,0|2,0,0]=4 22996 B14R2.384 O=C1OCCC1SCC2CCCO2 62a_100000211211_100000203698 [0,0,0,2,0,0|2,0,0]=4 22997 B14R2.384 O=C1OCCC1SCC2CCOC2 62a_100000211211_100000702531 [0,0,0,2,0,0|2,0,0]=4 22998 B14R2.384 O=C1OCCC1SCC2CCOC2 62a_100000702531_100000211211 [0,0,0,2,0,0|2,0,0]=4 22999 B14R2.9886 CCCC(=O)N1CCCC1C2CC2 11a_200000757794_100000211992 [0,0,0,2,0,0|2,0,0]=4 23000 B14R2.9886 CCCC(=O)N1CCCC1C2CC2 1626a_200000757794_100000211992 [0,0,0,2,0,0|2,0,0]=4 23001 B14R2.9886 CCCC(=O)N1CCCC1C2CC2 240690a_200000757794_100000211992 [0,0,0,2,0,0|2,0,0]=4 23002 B14R2.9886 CCCC(=O)N1CCCC1C2CC2 527a_200000757794_100000211992 [0,0,0,2,0,0|2,0,0]=4 23003 B14R2.9886 CCNC(=O)N1CCCC1C2CC2 2708a_100015525214_200000757794 [0,0,0,2,0,0|2,0,0]=4 23004 B14R2.9886 CCNC(=O)N1CCCC1C2CC2 273464a_100015525214_200000757794 [0,0,0,2,0,0|2,0,0]=4 23005 B14R2.9886 CCNC(=O)[C@@H]1CCCN1C2CC2 269982a_100020641767_100000211595 [0,0,0,2,0,0|2,0,0]=4 23006 B14R2.9886 CCNC(=O)[C@@H]1CCCN1C2CC2 34a_100020641767_100000211595 [0,0,0,2,0,0|2,0,0]=4 23007 B14R2.9886 CCOC(=O)[C@@H]1CCCN1C2CC2 269982a_100000703725_100000211595 [0,0,0,2,0,0|1,0,0]=3 23008 B14R2.9886 CCOC(=O)[C@@H]1CSCN1C2CC2 269982a_100016989239_100000211595 [0,0,0,2,0,0|2,0,0]=4 23009 B14R2.492 COCC1CCN1C2CCOC2=O 2230a_100015195929_100000211211 [0,0,0,2,0,0|2,0,0]=4 23010 B14R2.492 COCC1CCN1C2CCOC2=O 269982a_100015195929_100000211211 [0,0,0,2,0,0|2,0,0]=4 23011 B14R2.492 COCC1CCN1C2CCOC2=O 34a_100015195929_100000211211 [0,0,0,2,0,0|2,0,0]=4 23012 B14R2.33787 CCOC(=O)CN1CCC12COC2 2230a_100015204706_100000188475 [0,0,0,2,0,0|2,0,0]=4 23013 B14R2.33787 CCOC(=O)CN1CCC12COC2 269982a_100015204706_100000188475 [0,0,0,2,0,0|2,0,0]=4 23014 B14R2.7150 CCOC1CCCC2C1CCCC2 34a_100000042559_100000210202 [0,0,0,2,0,0|1,0,1]=4 23015 B14R2.7150 CCOC1CCCC2C1CCCC2 7a_100000042559_100000210202 [0,0,0,2,0,0|1,0,1]=4 23016 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000210303 [0,0,0,2,0,0|2,0,0]=4 23017 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000210303 [0,0,0,2,0,0|2,0,0]=4 23018 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 34a_100020639069_100000210303 [0,0,0,2,0,0|2,0,0]=4 23019 B14R2.393 O=C1CCN(CCN1)C2CCCC2 2230a_100000698595_100000179811 [0,0,0,2,0,0|2,0,0]=4 23020 B14R2.393 O=C1CCN(CCN1)C2CCCC2 269982a_100000698595_100000179811 [0,0,0,2,0,0|2,0,0]=4 23021 B14R2.393 O=C1CCN(CCN1)C2CCCC2 270004a_100000698595_100000210133 [0,0,0,2,0,0|2,0,0]=4 23022 B14R2.2711 CCCC(=O)CC1CC2CCC1C2 1458a_100000211222_100000210303 [0,0,0,2,0,0|1,0,0]=3 23023 B14R2.2711 CCCC(=O)CN1CC2CCC1C2 2230a_100000743476_100000747444 [0,0,0,2,0,0|2,0,0]=4 23024 B14R2.2711 CCCC(=O)CN1CC2CCC1C2 269982a_100000743476_100000747444 [0,0,0,2,0,0|2,0,0]=4 23025 B14R2.2711 CCCC(=O)NC1CC2CCC1C2 11a_100000758229_100000211992 [0,0,0,2,0,0|2,0,0]=4 23026 B14R2.2711 CCCC(=O)NC1CC2CCC1C2 1626a_100000758229_100000211992 [0,0,0,2,0,0|2,0,0]=4 23027 B14R2.2711 CCCC(=O)NC1CC2CCC1C2 240690a_100000758229_100000211992 [0,0,0,2,0,0|2,0,0]=4 23028 B14R2.2711 CCCC(=O)NC1CC2CCC1C2 527a_100000758229_100000211992 [0,0,0,2,0,0|2,0,0]=4 23029 B14R2.2711 CCNC(=O)CC1CC2CCC1C2 11a_100015525214_100000211222 [0,0,0,2,0,0|1,0,0]=3 23030 B14R2.2711 CCNC(=O)CC1CC2CCC1C2 240690a_100015525214_100000211222 [0,0,0,2,0,0|1,0,0]=3 23031 B14R2.2711 CCNC(=O)CC1CC2CCC1C2 527a_100015525214_100000211222 [0,0,0,2,0,0|1,0,0]=3 23032 B14R2.2711 CCNC(=O)CN1CC2CCC1C2 2230a_100000743476_100000183381 [0,0,0,2,0,0|2,0,0]=4 23033 B14R2.2711 CCNC(=O)CN1CC2CCC1C2 240690a_100015525214_100138531875 [0,0,0,2,0,0|2,0,0]=4 23034 B14R2.2711 CCNC(=O)CN1CC2CCC1C2 269982a_100000743476_100000183381 [0,0,0,2,0,0|2,0,0]=4 23035 B14R2.2711 CCNC(=O)CN1CC2CCC1C2 34a_100000743476_100000183381 [0,0,0,2,0,0|2,0,0]=4 23036 B14R2.2711 CCNC(=O)NC1CC2CCC1C2 2708a_100000758229_100015525214 [0,0,0,2,0,0|2,0,0]=4 23037 B14R2.2711 CCNC(=O)NC1CC2CCC1C2 2708a_100015525214_100000758229 [0,0,0,2,0,0|2,0,0]=4 23038 B14R2.2711 CCNC(=O)NC1CC2CCC1C2 273464a_100000758229_100015525214 [0,0,0,2,0,0|2,0,0]=4 23039 B14R2.2711 CCNC(=O)NC1CC2CCC1C2 273464a_100015525214_100000758229 [0,0,0,2,0,0|2,0,0]=4 23040 B14R2.2711 CCNC(=O)NC1CC2CCC1C2 512a_100000758229_100015525214 [0,0,0,2,0,0|2,0,0]=4 23041 B14R2.2711 CCNC(=O)NC1CC2CCC1C2 512a_100015525214_100000758229 [0,0,0,2,0,0|2,0,0]=4 23042 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 2230a_100000743476_100000188475 [0,0,0,2,0,0|1,0,0]=3 23043 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 269982a_100000743476_100000188475 [0,0,0,2,0,0|1,0,0]=3 23044 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 34a_100000743476_100000188475 [0,0,0,2,0,0|1,0,0]=3 23045 B14R2.2711 CCOC(=O)CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000188475 [0,0,0,2,0,0|2,0,0]=4 23046 B14R2.2711 CCOC(=O)CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000188475 [0,0,0,2,0,0|2,0,0]=4 23047 B14R2.2711 CCOC(=O)CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000188475 [0,0,0,2,0,0|2,0,0]=4 23048 B14R2.2711 CNNC(=O)CC1CC2CCC1C2 22a_100016993582_100000211222 [0,0,0,2,0,0|2,0,0]=4 23049 B14R2.2711 O=C(CCF)CC1CC2CCC1C2 1458a_100000211222_100011217306 [0,0,0,2,0,0|2,0,0]=4 23050 B14R2.2711 O=C(CCO)CC1CC2CCC1C2 1458a_100000211222_100000211926 [0,0,0,2,0,0|2,0,0]=4 23051 B14R2.31850 O=C(CCCC1CCCC1)C2CC2 1458a_100000210395_100011713738 [0,0,0,2,0,0|1,0,0]=3 23052 B14R2.31850 O=C(CCCC1CCCC1)C2CO2 1458a_100000701028_100011713738 [0,0,0,2,0,0|2,0,0]=4 23053 B14R2.31850 O=C(CCCN1CCCC1)C2CC2 1458a_100000210395_100011445909 [0,0,0,2,0,0|2,0,0]=4 23054 B14R2.31850 O=C(CNCC1CCCC1)C2CC2 2230a_100000737975_100000746382 [0,0,0,2,0,0|2,0,0]=4 23055 B14R2.31850 O=C(CNCC1CCCC1)C2CC2 34a_100000737975_100000746382 [0,0,0,2,0,0|2,0,0]=4 23056 B14R2.31850 O=C(COCC1CCCC1)C2CC2 34a_100000686663_100000740388 [0,0,0,2,0,0|2,0,0]=4 23057 B14R2.31850 O=C(COCC1CCCC1)C2CC2 34a_100000742336_100000746382 [0,0,0,2,0,0|2,0,0]=4 23058 B14R2.31850 O=C(COCC1CCCC1)C2CC2 7a_100000742336_100000746382 [0,0,0,2,0,0|2,0,0]=4 23059 B14R2.31850 O=C(CSCC1CCCC1)C2CC2 62a_100000740388_100000746382 [0,0,0,2,0,0|2,0,0]=4 23060 B14R2.31850 O=C(CSCC1CCCC1)C2CC2 62a_100000746382_100000740388 [0,0,0,2,0,0|2,0,0]=4 23061 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 11a_100000739158_100000210395 [0,0,0,2,0,0|2,0,0]=4 23062 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 1626a_100000739158_100000210395 [0,0,0,2,0,0|2,0,0]=4 23063 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 240690a_100000739158_100000210395 [0,0,0,2,0,0|2,0,0]=4 23064 B14R2.31850 O=C(NCCC1CCCC1)C2CC2 527a_100000739158_100000210395 [0,0,0,2,0,0|2,0,0]=4 23065 B14R2.170 CCC1CCCN1C2CCCC2=O 2230a_100000754278_100000211823 [0,0,0,2,0,0|2,0,0]=4 23066 B14R2.170 CCC1CCCN1C2CCCC2=O 269982a_100000754278_100000211823 [0,0,0,2,0,0|2,0,0]=4 23067 B14R2.170 CCC1CCCN1C2CCCC2=O 34a_100000754278_100000709159 [0,0,0,2,0,0|2,0,0]=4 23068 B14R2.170 CCC1CCCN1C2CCOC2=O 2230a_100000754278_100000211211 [0,0,0,2,0,0|1,0,0]=3 23069 B14R2.170 CCC1CCCN1C2CCOC2=O 269982a_100000754278_100000211211 [0,0,0,2,0,0|1,0,0]=3 23070 B14R2.170 CCC1CCCN1C2CCOC2=O 34a_100000754278_100000211211 [0,0,0,2,0,0|1,0,0]=3 23071 B14R2.170 O=C1OCCC1N2CCC[C@@H]2CO 2230a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 23072 B14R2.170 O=C1OCCC1N2CCC[C@@H]2CO 269982a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 23073 B14R2.170 O=C1OCCC1N2CCC[C@@H]2CO 34a_100000745186_100000211211 [0,0,0,2,0,0|2,0,0]=4 23074 B14R2.1247 CCCC(=O)CN1CCCC12CC2 2230a_100020620911_100000747444 [0,0,0,2,0,0|2,0,0]=4 23075 B14R2.1247 CCCC(=O)CN1CCCC12CC2 269982a_100020620911_100000747444 [0,0,0,2,0,0|2,0,0]=4 23076 B14R2.1247 CCNC(=O)CN1CCCC12CC2 2230a_100020620911_100000183381 [0,0,0,2,0,0|2,0,0]=4 23077 B14R2.1247 CCNC(=O)CN1CCCC12CC2 269982a_100020620911_100000183381 [0,0,0,2,0,0|2,0,0]=4 23078 B14R2.1247 CCNC(=O)CN1CCCC12CC2 34a_100020620911_100000183381 [0,0,0,2,0,0|2,0,0]=4 23079 B14R2.1247 CCOC(=O)CN1CCCC12CC2 2230a_100020620911_100000188475 [0,0,0,2,0,0|1,0,0]=3 23080 B14R2.1247 CCOC(=O)CN1CCCC12CC2 269982a_100020620911_100000188475 [0,0,0,2,0,0|1,0,0]=3 23081 B14R2.1247 CCOC(=O)CN1CCCC12CC2 34a_100020620911_100000188475 [0,0,0,2,0,0|1,0,0]=3 23082 B14R2.3540 CCC1CCCN1CC(=O)C2CC2 2230a_100000754278_100000746382 [0,0,0,2,0,0|2,0,0]=4 23083 B14R2.3540 CCC1CCCN1CC(=O)C2CC2 269982a_100000754278_100000746382 [0,0,0,2,0,0|2,0,0]=4 23084 B14R2.3540 CCC1CCCN1CC(=O)C2CC2 34a_100000754278_100000746382 [0,0,0,2,0,0|2,0,0]=4 23085 B14R2.309 CC1CCCC1OC2CCCC2=O 34a_100011216460_100000709159 [0,0,0,2,0,0|2,0,0]=4 23086 B14R2.309 CC1CCCC1OC2CCCC2=O 7a_100011216460_100000211823 [0,0,0,2,0,0|2,0,0]=4 23087 B14R2.309 CC1CCCC1OC2CCOC2=O 34a_100011216460_100000211211 [0,0,0,2,0,0|1,0,0]=3 23088 B14R2.309 CC1CCCC1OC2CCOC2=O 7a_100011216460_100000211211 [0,0,0,2,0,0|1,0,0]=3 23089 B14R2.309 C[C@@H]1CNC[C@@H]1OC2CCOC2=O 34a_200015306588_100000211211 [0,0,0,2,0,0|2,0,0]=4 23090 B14R2.309 N[C@H]1CCC[C@@H]1OC2CCOC2=O 34a_100000748460_100000211211 [0,0,0,2,0,0|2,0,0]=4 23091 B14R2.309 O=C1OCCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000211211 [0,0,0,2,0,0|2,0,0]=4 23092 B14R2.309 O=C1OCCC1S[C@@H]2CCC[C@H]2O 62a_100000211211_200016002552 [0,0,0,2,0,0|2,0,0]=4 23093 B14R2.309 O=C1OCCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000211211 [0,0,0,2,0,0|2,0,0]=4 23094 B14R2.839 CCCC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100000211992 [0,0,0,2,0,0|2,0,0]=4 23095 B14R2.839 CCCC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100000211992 [0,0,0,2,0,0|2,0,0]=4 23096 B14R2.839 CCNC(=O)N1C[C@H]2CCC[C@H]2C1 2708a_100015525214_100102946302 [0,0,0,2,0,0|2,0,0]=4 23097 B14R2.839 CCNC(=O)N1C[C@H]2CCC[C@H]2C1 273464a_100015525214_100102946302 [0,0,0,2,0,0|2,0,0]=4 23098 B14R2.4730 CC1CCCC1OCC(=O)C2CC2 34a_100011216460_100000746382 [0,0,0,2,0,0|2,0,0]=4 23099 B14R2.4730 CC1CCCC1OCC(=O)C2CC2 7a_100011216460_100000746382 [0,0,0,2,0,0|2,0,0]=4 23100 B14R2.4730 CN1CCCC1CCC(=O)C2CC2 1458a_100000210395_100000005710 [0,0,0,2,0,0|2,0,0]=4 23101 B14R2.5216 O=C1NCCC1COCC2CCC2 34a_100000133458_100000763275 [0,0,0,2,0,0|2,0,0]=4 23102 B14R2.5216 O=C1OCCC1OCCC2COC2 34a_100009855314_100000211211 [0,0,0,2,0,0|2,0,0]=4 23103 B14R2.23383 O=C1CCN(CCN1)CC2CCC2 2230a_100000698595_100000763275 [0,0,0,2,0,0|2,0,0]=4 23104 B14R2.23383 O=C1CCN(CCN1)CC2CCC2 269982a_100000698595_100000763275 [0,0,0,2,0,0|2,0,0]=4 23105 B14R2.4734 O=C1NCCC1COCCC2CC2 34a_100000133458_100000694398 [0,0,0,2,0,0|2,0,0]=4 23106 B14R2.4734 O=C1OCCC1OCCNC2CC2 34a_100000738766_100000211211 [0,0,0,2,0,0|2,0,0]=4 23107 B14R2.4734 O=C1OCCC1SCCCC2CO2 62a_100000211211_100000733510 [0,0,0,2,0,0|2,0,0]=4 23108 B14R2.4734 O=C1OCCC1SCCCC2CO2 62a_100000733510_100000211211 [0,0,0,2,0,0|2,0,0]=4 23109 B14R2.23410 O=C1CCN(CCN1)CCC2CC2 2230a_100000698595_100000694398 [0,0,0,2,0,0|2,0,0]=4 23110 B14R2.23410 O=C1CCN(CCN1)CCC2CC2 269982a_100000698595_100000694398 [0,0,0,2,0,0|2,0,0]=4 23111 B14R2.3348 CCC1CCCCN1C(=O)C2CC2 11a_100000210034_100000210395 [0,0,0,2,0,0|2,0,0]=4 23112 B14R2.3348 CCC1CCCCN1C(=O)C2CC2 1626a_100000210034_100000210395 [0,0,0,2,0,0|2,0,0]=4 23113 B14R2.3348 CCC1CCCCN1C(=O)C2CC2 240690a_100000210034_100000210395 [0,0,0,2,0,0|2,0,0]=4 23114 B14R2.3348 CCC1CCCCN1C(=O)C2CC2 527a_100000210034_100000210395 [0,0,0,2,0,0|2,0,0]=4 23115 B14R2.296 CC1CCCCN1C2CCCC2=O 2230a_100000211376_100000211823 [0,0,0,2,0,0|2,0,0]=4 23116 B14R2.296 CC1CCCCN1C2CCCC2=O 269982a_100000211376_100000211823 [0,0,0,2,0,0|2,0,0]=4 23117 B14R2.296 CC1CCCCN1C2CCCC2=O 34a_100000211376_100000709159 [0,0,0,2,0,0|2,0,0]=4 23118 B14R2.296 CC1CCCCN1C2CCOC2=O 2230a_100000211376_100000211211 [0,0,0,2,0,0|1,0,0]=3 23119 B14R2.296 CC1CCCCN1C2CCOC2=O 269982a_100000211376_100000211211 [0,0,0,2,0,0|1,0,0]=3 23120 B14R2.296 CC1CCCCN1C2CCOC2=O 34a_100000211376_100000211211 [0,0,0,2,0,0|1,0,0]=3 23121 B14R2.296 C[C@H]1COCCN1C2CCOC2=O 2230a_100009815349_100000211211 [0,0,0,2,0,0|2,0,0]=4 23122 B14R2.296 C[C@H]1COCCN1C2CCOC2=O 269982a_100009815349_100000211211 [0,0,0,2,0,0|2,0,0]=4 23123 B14R2.296 C[C@H]1COCCN1C2CCOC2=O 34a_100009815349_100000211211 [0,0,0,2,0,0|2,0,0]=4 23124 B14R2.4621 CC1CCCCC1NC(=O)C2CC2 11a_100000211402_100000210395 [0,0,0,2,0,0|2,0,0]=4 23125 B14R2.4621 CC1CCCCC1NC(=O)C2CC2 1626a_100000211402_100000210395 [0,0,0,2,0,0|2,0,0]=4 23126 B14R2.4621 CC1CCCCC1NC(=O)C2CC2 240690a_100000211402_100000210395 [0,0,0,2,0,0|2,0,0]=4 23127 B14R2.4621 CC1CCCCC1NC(=O)C2CC2 527a_100000211402_100000210395 [0,0,0,2,0,0|2,0,0]=4 23128 B14R2.4621 CC1CCCCN1CC(=O)C2CC2 2230a_100000211376_100000746382 [0,0,0,2,0,0|2,0,0]=4 23129 B14R2.4621 CC1CCCCN1CC(=O)C2CC2 269982a_100000211376_100000746382 [0,0,0,2,0,0|2,0,0]=4 23130 B14R2.4621 CC1CCCCN1CC(=O)C2CC2 34a_100000211376_100000746382 [0,0,0,2,0,0|2,0,0]=4 23131 B14R2.4621 CN1CCCCC1CC(=O)C2CC2 1458a_100000210395_100015185383 [0,0,0,2,0,0|2,0,0]=4 23132 B14R2.5202 O=C1CCCC1N2CCCCCC2 2230a_100000185865_100000211823 [0,0,0,2,0,0|2,0,0]=4 23133 B14R2.5202 O=C1CCCC1N2CCCCCC2 269982a_100000185865_100000211823 [0,0,0,2,0,0|2,0,0]=4 23134 B14R2.5202 O=C1CCCC1N2CCCCCC2 34a_100000185865_100000709159 [0,0,0,2,0,0|2,0,0]=4 23135 B14R2.5202 O=C1OCCC1N2CCCCCC2 2230a_100000185865_100000211211 [0,0,0,2,0,0|1,0,0]=3 23136 B14R2.5202 O=C1OCCC1N2CCCCCC2 269982a_100000185865_100000211211 [0,0,0,2,0,0|1,0,0]=3 23137 B14R2.5202 O=C1OCCC1N2CCCCCC2 34a_100000185865_100000211211 [0,0,0,2,0,0|1,0,0]=3 23138 B14R2.5202 O=C1OCCC1N2CCCOCC2 2230a_100000685342_100000211211 [0,0,0,2,0,0|2,0,0]=4 23139 B14R2.5202 O=C1OCCC1N2CCCOCC2 269982a_100000685342_100000211211 [0,0,0,2,0,0|2,0,0]=4 23140 B14R2.5202 O=C1OCCC1N2CCCOCC2 34a_100000685342_100000211211 [0,0,0,2,0,0|2,0,0]=4 23141 B14R2.2829 O=C(C1CC1)N2CCCCCCC2 11a_100000211400_100000210395 [0,0,0,2,0,0|2,0,0]=4 23142 B14R2.2829 O=C(C1CC1)N2CCCCCCC2 1626a_100000211400_100000210395 [0,0,0,2,0,0|2,0,0]=4 23143 B14R2.2829 O=C(C1CC1)N2CCCCCCC2 240690a_100000211400_100000210395 [0,0,0,2,0,0|2,0,0]=4 23144 B14R2.2829 O=C(C1CC1)N2CCCCCCC2 527a_100000211400_100000210395 [0,0,0,2,0,0|2,0,0]=4 23145 B14R2.31843 O=C(CC1CCCCCC1)C2CC2 1458a_100000210395_200000696569 [0,0,0,2,0,0|1,0,0]=3 23146 B14R2.31843 O=C(CC1CCCCCC1)C2CO2 1458a_100000701028_200000696569 [0,0,0,2,0,0|2,0,0]=4 23147 B14R2.31843 O=C(CN1CCCCCC1)C2CC2 2230a_100000185865_100000746382 [0,0,0,2,0,0|2,0,0]=4 23148 B14R2.31843 O=C(CN1CCCCCC1)C2CC2 269982a_100000185865_100000746382 [0,0,0,2,0,0|2,0,0]=4 23149 B14R2.31843 O=C(CN1CCCCCC1)C2CC2 34a_100000185865_100000746382 [0,0,0,2,0,0|2,0,0]=4 23150 B14R2.31843 O=C(NC1CCCCCC1)C2CC2 11a_100000210984_100000210395 [0,0,0,2,0,0|2,0,0]=4 23151 B14R2.31843 O=C(NC1CCCCCC1)C2CC2 1626a_100000210984_100000210395 [0,0,0,2,0,0|2,0,0]=4 23152 B14R2.31843 O=C(NC1CCCCCC1)C2CC2 240690a_100000210984_100000210395 [0,0,0,2,0,0|2,0,0]=4 23153 B14R2.31843 O=C(NC1CCCCCC1)C2CC2 527a_100000210984_100000210395 [0,0,0,2,0,0|2,0,0]=4