0 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B15R0.366 C#CCC(=O)CCCCCCCCCCC 1458a_100011220946_100011215454 [0,0,0,0,0,0|1,0,2]=3 2 B15R0.366 C#CCC(=O)CCCCCCCCCCO 1458a_100011220946_100009813290 [0,0,0,0,0,0|2,0,2]=4 3 B15R0.366 C#CCC(=O)NCCCCCCCCCC 1626a_100000684558_100011220946 [0,0,0,0,0,0|2,0,2]=4 4 B15R0.366 C#CCC(=O)NCCCCCCCCCC 527a_100000684558_100011220946 [0,0,0,0,0,0|2,0,2]=4 5 B15R0.366 C#CCCCCCCCNCC(=O)NCC 2230a_100016988866_100153394163 [0,0,0,0,0,0|1,0,2]=3 6 B15R0.366 C#CCCCCCCCOCC(=O)CCC 7a_100000054614_100000747444 [0,0,0,0,0,0|2,0,2]=4 7 B15R0.366 C#CCCCCCCCOCC(=O)NCC 34a_100000054614_100000183381 [0,0,0,0,0,0|1,0,2]=3 8 B15R0.366 C#CCCCCCCCOCC(=O)NCC 7a_100000054614_100000183381 [0,0,0,0,0,0|1,0,2]=3 9 B15R0.366 C#CCCCCCCCOCC(=O)NCO 34a_100000054614_100000185155 [0,0,0,0,0,0|2,0,2]=4 10 B15R0.366 C#CCCCCCCCOCC(=O)NCO 7a_100000054614_100000185155 [0,0,0,0,0,0|2,0,2]=4 11 B15R0.366 C#CCCCCCCCOCC(=O)OCC 34a_100000054614_100000188475 [0,0,0,0,0,0|2,0,2]=4 12 B15R0.366 C#CCCCCCCCOCC(=O)OCC 7a_100000054614_100000188475 [0,0,0,0,0,0|2,0,2]=4 13 B15R0.366 C#CCCCCCCCSCC(=O)CCC 62a_100000747444_100153394163 [0,0,0,0,0,0|2,0,2]=4 14 B15R0.366 C#CCCCCCCCSCC(=O)CCC 62a_100153394163_100000747444 [0,0,0,0,0,0|2,0,2]=4 15 B15R0.366 C#CCCCCCCCSCC(=O)NCC 62a_100000183381_100153394163 [0,0,0,0,0,0|1,0,2]=3 16 B15R0.366 C#CCCCCCCCSCC(=O)NCC 62a_100153394163_100000183381 [0,0,0,0,0,0|1,0,2]=3 17 B15R0.366 C#CCCCCCCCSCC(=O)NCO 62a_100000185155_100153394163 [0,0,0,0,0,0|2,0,2]=4 18 B15R0.366 C#CCCCCCCCSCC(=O)NCO 62a_100153394163_100000185155 [0,0,0,0,0,0|2,0,2]=4 19 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100000188475_100153394163 [0,0,0,0,0,0|2,0,2]=4 20 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100153394163_100000188475 [0,0,0,0,0,0|2,0,2]=4 21 B15R0.366 C#CCCCCCCNCCC(=O)NCC 34a_100025743525_100012276617 [0,0,0,0,0,0|1,0,2]=3 22 B15R0.366 C#CCCCCCCOCCC(=O)NCC 7a_100011217361_100000737597 [0,0,0,0,0,0|1,0,2]=3 23 B15R0.366 C#CCCCCCCOCCC(=O)OCC 34a_100011217361_100000765890 [0,0,0,0,0,0|2,0,2]=4 24 B15R0.366 C#CCCCCCCOCCC(=O)OCC 7a_100011217361_100011206558 [0,0,0,0,0,0|2,0,2]=4 25 B15R0.366 C#CCCCCCCSCCC(=O)NCC 62a_100000737597_100012276617 [0,0,0,0,0,0|1,0,2]=3 26 B15R0.366 C#CCCCCCCSCCC(=O)NCC 62a_100012276617_100000737597 [0,0,0,0,0,0|1,0,2]=3 27 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100000765890_100012276617 [0,0,0,0,0,0|2,0,2]=4 28 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100012276617_100000765890 [0,0,0,0,0,0|2,0,2]=4 29 B15R0.366 C#CCCCCCOCCCC(=O)OCC 34a_100000766912_100009991533 [0,0,0,0,0,0|2,0,2]=4 30 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100000766912_100011215271 [0,0,0,0,0,0|2,0,2]=4 31 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100012001163_100012094781 [0,0,0,0,0,0|2,0,2]=4 32 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100009991533_100012094781 [0,0,0,0,0,0|2,0,2]=4 33 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100012094781_100009991533 [0,0,0,0,0,0|2,0,2]=4 34 B15R0.366 C#CCCCCNCCCCC(=O)OCC 2230a_100000706060_100000750268 [0,0,0,0,0,0|2,0,2]=4 35 B15R0.366 C#CCCCCNCCCCC(=O)OCC 34a_100000706060_100000750268 [0,0,0,0,0,0|2,0,2]=4 36 B15R0.366 C#CCCCCOCCCCC(=O)OCC 34a_100000766709_100000750268 [0,0,0,0,0,0|2,0,2]=4 37 B15R0.366 C#CCCCCOCCCCC(=O)OCC 7a_100000766709_100000750268 [0,0,0,0,0,0|2,0,2]=4 38 B15R0.366 C#CCCCCSCCCCC(=O)OCC 62a_100000750268_100010269958 [0,0,0,0,0,0|2,0,2]=4 39 B15R0.366 C#CCCCCSCCCCC(=O)OCC 62a_100010269958_100000750268 [0,0,0,0,0,0|2,0,2]=4 40 B15R0.366 C#CCCCNCCCCCC(=O)OCC 34a_100000718082_100000755133 [0,0,0,0,0,0|2,0,2]=4 41 B15R0.366 C#CCCCOCCCCCC(=O)OCC 34a_100000215630_100000755133 [0,0,0,0,0,0|2,0,2]=4 42 B15R0.366 C#CCCCOCCCCCC(=O)OCC 7a_100000215630_100000755133 [0,0,0,0,0,0|2,0,2]=4 43 B15R0.366 C#CCCCOCCCCCC(=O)OCC 7a_100011214988_100011215417 [0,0,0,0,0,0|2,0,2]=4 44 B15R0.366 C#CCCCSCCCCCC(=O)OCC 62a_100000755133_100011215417 [0,0,0,0,0,0|2,0,2]=4 45 B15R0.366 C#CCCCSCCCCCC(=O)OCC 62a_100011215417_100000755133 [0,0,0,0,0,0|2,0,2]=4 46 B15R0.366 C#CCCNCCCCCCC(=O)OCC 34a_100000755551_100009814379 [0,0,0,0,0,0|2,0,2]=4 47 B15R0.366 C#CCCOCCCCCCC(=O)OCC 34a_100011215631_100009814379 [0,0,0,0,0,0|2,0,2]=4 48 B15R0.366 C#CCCSCCCCCCC(=O)OCC 62a_100000688953_100009814379 [0,0,0,0,0,0|2,0,2]=4 49 B15R0.366 C#CCNCCCCCCCC(=O)OCC 34a_100000212058_100009991516 [0,0,0,0,0,0|2,0,2]=4 50 B15R0.366 C#CCOCCCCCCCC(=O)OCC 34a_100000210247_100009991516 [0,0,0,0,0,0|2,0,2]=4 51 B15R0.366 C#CCSCCCCCCCC(=O)OCC 62a_100000038162_100009991516 [0,0,0,0,0,0|2,0,2]=4 52 B15R0.366 C/C=C/CCOCCCCCC(=O)OCC 34a_100016278192_100000755133 [0,0,0,0,0,0|2,0,2]=4 53 B15R0.366 C/C=C/COCCCCCCC(=O)OCC 34a_100016270725_100009814379 [0,0,0,0,0,0|2,0,2]=4 54 B15R0.366 C/C=C/CSCCCCCCC(=O)OCC 62a_100102629194_100009814379 [0,0,0,0,0,0|2,0,2]=4 55 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210193_100011215454 [0,0,0,0,0,0|1,0,2]=3 56 B15R0.366 C=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000210623 [0,0,0,0,0,0|1,0,2]=3 57 B15R0.366 C=CCC(=O)CCCCCCCCCCO 1458a_100000210193_100009813290 [0,0,0,0,0,0|2,0,2]=4 58 B15R0.366 C=CCC(=O)NCCCCCCCCCC 11a_100000684558_100000210193 [0,0,0,0,0,0|2,0,2]=4 59 B15R0.366 C=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100000210193 [0,0,0,0,0,0|2,0,2]=4 60 B15R0.366 C=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100000210193 [0,0,0,0,0,0|2,0,2]=4 61 B15R0.366 C=CCC(=O)NCCCCCCCCCC 527a_100000684558_100000210193 [0,0,0,0,0,0|2,0,2]=4 62 B15R0.366 C=CCCCCCCCCCC(=O)C#CC 1458a_100000763181_100009814027 [0,0,0,0,0,0|1,0,3]=4 63 B15R0.366 C=CCCCCCCCCCC(=O)C=CC 1458a_100000210699_100009814027 [0,0,0,0,0,0|1,0,3]=4 64 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [0,0,0,0,0,0|1,0,2]=3 65 B15R0.366 C=CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009814027 [0,0,0,0,0,0|2,0,2]=4 66 B15R0.366 C=CCCCCCCCCCC(=O)COC 1458a_100000210968_100009814027 [0,0,0,0,0,0|2,0,2]=4 67 B15R0.366 C=CCCCCCCCCCC(=O)CSC 1458a_100000184570_100009814027 [0,0,0,0,0,0|2,0,2]=4 68 B15R0.366 C=CCCCCCCCNCC(=O)NCC 2230a_100016988866_100012355270 [0,0,0,0,0,0|1,0,2]=3 69 B15R0.366 C=CCCCCCCCOCC(=O)CCC 7a_100000730831_100000747444 [0,0,0,0,0,0|2,0,2]=4 70 B15R0.366 C=CCCCCCCCOCC(=O)NCC 34a_100000730831_100000183381 [0,0,0,0,0,0|1,0,2]=3 71 B15R0.366 C=CCCCCCCCOCC(=O)NCC 7a_100000730831_100000183381 [0,0,0,0,0,0|1,0,2]=3 72 B15R0.366 C=CCCCCCCCOCC(=O)NCO 34a_100000730831_100000185155 [0,0,0,0,0,0|2,0,2]=4 73 B15R0.366 C=CCCCCCCCOCC(=O)NCO 7a_100000730831_100000185155 [0,0,0,0,0,0|2,0,2]=4 74 B15R0.366 C=CCCCCCCCOCC(=O)OCC 34a_100000730831_100000188475 [0,0,0,0,0,0|2,0,2]=4 75 B15R0.366 C=CCCCCCCCOCC(=O)OCC 7a_100000730831_100000188475 [0,0,0,0,0,0|2,0,2]=4 76 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100000747444_100012355270 [0,0,0,0,0,0|2,0,2]=4 77 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100012355270_100000747444 [0,0,0,0,0,0|2,0,2]=4 78 B15R0.366 C=CCCCCCCCSCC(=O)NCC 62a_100000183381_100012355270 [0,0,0,0,0,0|1,0,2]=3 79 B15R0.366 C=CCCCCCCCSCC(=O)NCC 62a_100012355270_100000183381 [0,0,0,0,0,0|1,0,2]=3 80 B15R0.366 C=CCCCCCCCSCC(=O)NCO 62a_100000185155_100012355270 [0,0,0,0,0,0|2,0,2]=4 81 B15R0.366 C=CCCCCCCCSCC(=O)NCO 62a_100012355270_100000185155 [0,0,0,0,0,0|2,0,2]=4 82 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100000188475_100012355270 [0,0,0,0,0,0|2,0,2]=4 83 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100012355270_100000188475 [0,0,0,0,0,0|2,0,2]=4 84 B15R0.366 C=CCCCCCCNCCC(=O)NCC 34a_100025743525_100011215473 [0,0,0,0,0,0|1,0,2]=3 85 B15R0.366 C=CCCCCCCOCCC(=O)NCC 7a_200011216477_100000737597 [0,0,0,0,0,0|1,0,2]=3 86 B15R0.366 C=CCCCCCCOCCC(=O)OCC 34a_200011216477_100000765890 [0,0,0,0,0,0|2,0,2]=4 87 B15R0.366 C=CCCCCCCOCCC(=O)OCC 7a_200011216477_100011206558 [0,0,0,0,0,0|2,0,2]=4 88 B15R0.366 C=CCCCCCCSCCC(=O)NCC 62a_100000737597_100011215473 [0,0,0,0,0,0|1,0,2]=3 89 B15R0.366 C=CCCCCCCSCCC(=O)NCC 62a_100011215473_100000737597 [0,0,0,0,0,0|1,0,2]=3 90 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100000765890_100011215473 [0,0,0,0,0,0|2,0,2]=4 91 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100011215473_100000765890 [0,0,0,0,0,0|2,0,2]=4 92 B15R0.366 C=CCCCCCOCCCC(=O)OCC 34a_100011216702_100009991533 [0,0,0,0,0,0|2,0,2]=4 93 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100011216702_100011215271 [0,0,0,0,0,0|2,0,2]=4 94 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100012001163_100000700193 [0,0,0,0,0,0|2,0,2]=4 95 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100000700193_100009991533 [0,0,0,0,0,0|2,0,2]=4 96 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100009991533_100000700193 [0,0,0,0,0,0|2,0,2]=4 97 B15R0.366 C=CCCCCNCCCCC(=O)OCC 2230a_100000703577_100000750268 [0,0,0,0,0,0|2,0,2]=4 98 B15R0.366 C=CCCCCNCCCCC(=O)OCC 34a_100000703577_100000750268 [0,0,0,0,0,0|2,0,2]=4 99 B15R0.366 C=CCCCCOCCCCC(=O)OCC 34a_100000766645_100000750268 [0,0,0,0,0,0|2,0,2]=4 100 B15R0.366 C=CCCCCOCCCCC(=O)OCC 7a_100000766645_100000750268 [0,0,0,0,0,0|2,0,2]=4 101 B15R0.366 C=CCCCCSCCCCC(=O)OCC 62a_100000750268_100011215482 [0,0,0,0,0,0|2,0,2]=4 102 B15R0.366 C=CCCCCSCCCCC(=O)OCC 62a_100011215482_100000750268 [0,0,0,0,0,0|2,0,2]=4 103 B15R0.366 C=CCCCNCCCCCC(=O)OCC 2230a_100000700776_100000755133 [0,0,0,0,0,0|2,0,2]=4 104 B15R0.366 C=CCCCNCCCCCC(=O)OCC 34a_100000700776_100000755133 [0,0,0,0,0,0|2,0,2]=4 105 B15R0.366 C=CCCCOCCCCCC(=O)OCC 34a_100000758997_100000755133 [0,0,0,0,0,0|2,0,2]=4 106 B15R0.366 C=CCCCOCCCCCC(=O)OCC 7a_100000758997_100000755133 [0,0,0,0,0,0|2,0,2]=4 107 B15R0.366 C=CCCCOCCCCCC(=O)OCC 7a_100011214988_100000757094 [0,0,0,0,0,0|2,0,2]=4 108 B15R0.366 C=CCCCSCCCCCC(=O)OCC 62a_100000755133_100000757094 [0,0,0,0,0,0|2,0,2]=4 109 B15R0.366 C=CCCCSCCCCCC(=O)OCC 62a_100011713584_100000755133 [0,0,0,0,0,0|2,0,2]=4 110 B15R0.366 C=CCCNCCCCCCC(=O)OCC 2230a_100015191253_100009814379 [0,0,0,0,0,0|2,0,2]=4 111 B15R0.366 C=CCCOCCCCCCC(=O)OCC 34a_100011205117_100009814379 [0,0,0,0,0,0|2,0,2]=4 112 B15R0.366 C=CCCSCCCCCCC(=O)OCC 62a_100000754431_100009814379 [0,0,0,0,0,0|2,0,2]=4 113 B15R0.366 C=CCNCCCCCCCC(=O)OCC 2230a_100020586998_100009991516 [0,0,0,0,0,0|2,0,2]=4 114 B15R0.366 C=CCOCCCCCCCC(=O)OCC 34a_200000210373_100009991516 [0,0,0,0,0,0|2,0,2]=4 115 B15R0.366 C=CCSCCCCCCCC(=O)OCC 62a_100000210623_100009991516 [0,0,0,0,0,0|2,0,2]=4 116 B15R0.366 C=COC(=O)CNCCCCCCCCC 2230a_100000212291_100000036128 [0,0,0,0,0,0|2,0,2]=4 117 B15R0.366 C=COC(=O)CNCCCCCCCCC 34a_100000212291_100000036128 [0,0,0,0,0,0|2,0,2]=4 118 B15R0.366 C=COC(=O)COCCCCCCCCC 34a_100000210712_100000036128 [0,0,0,0,0,0|2,0,2]=4 119 B15R0.366 C=COC(=O)CSCCCCCCCCC 62a_100000036128_100000210670 [0,0,0,0,0,0|2,0,2]=4 120 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [0,0,0,0,0,0|1,0,1]=2 121 B15R0.366 CC#CC(=O)CCCCCCCCCCO 1458a_100000763181_100009813290 [0,0,0,0,0,0|2,0,1]=3 122 B15R0.366 CC#CCCOCCCCCC(=O)OCC 34a_100000750427_100000755133 [0,0,0,0,0,0|2,0,2]=4 123 B15R0.366 CC#CCNCCCCCCC(=O)OCC 2230a_100000685387_100009814379 [0,0,0,0,0,0|2,0,2]=4 124 B15R0.366 CC#CCNCCCCCCC(=O)OCC 34a_100000685387_100009814379 [0,0,0,0,0,0|2,0,2]=4 125 B15R0.366 CC#CCOCCCCCCC(=O)OCC 34a_100000761923_100009814379 [0,0,0,0,0,0|2,0,2]=4 126 B15R0.366 CC#CCSCCCCCCC(=O)OCC 62a_100000748600_100009814379 [0,0,0,0,0,0|2,0,2]=4 127 B15R0.366 CC/C=C/CCCOCCCC(=O)OCC 34a_100016287902_100009991533 [0,0,0,0,0,0|2,0,2]=4 128 B15R0.366 CC/C=C/CCCOCCCC(=O)OCC 7a_100016287902_100011215271 [0,0,0,0,0,0|2,0,2]=4 129 B15R0.366 CC/C=C\CCCCCOCC(=O)CCC 7a_100016268722_100000747444 [0,0,0,0,0,0|2,0,2]=4 130 B15R0.366 CC/C=C\CCCCCOCC(=O)NCC 34a_100016268722_100000183381 [0,0,0,0,0,0|1,0,2]=3 131 B15R0.366 CC/C=C\CCCCCOCC(=O)NCC 7a_100016268722_100000183381 [0,0,0,0,0,0|1,0,2]=3 132 B15R0.366 CC/C=C\CCCCCOCC(=O)NCO 34a_100016268722_100000185155 [0,0,0,0,0,0|2,0,2]=4 133 B15R0.366 CC/C=C\CCCCCOCC(=O)NCO 7a_100016268722_100000185155 [0,0,0,0,0,0|2,0,2]=4 134 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 34a_100016268722_100000188475 [0,0,0,0,0,0|2,0,2]=4 135 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 7a_100016268722_100000188475 [0,0,0,0,0,0|2,0,2]=4 136 B15R0.366 CC/C=C\CCCCOCCC(=O)NCC 7a_100016287862_100000737597 [0,0,0,0,0,0|1,0,2]=3 137 B15R0.366 CC/C=C\CCCCOCCC(=O)OCC 34a_100016287862_100000765890 [0,0,0,0,0,0|2,0,2]=4 138 B15R0.366 CC/C=C\CCCCOCCC(=O)OCC 7a_100016287862_100011206558 [0,0,0,0,0,0|2,0,2]=4 139 B15R0.366 CC/C=C\CCOCCCCC(=O)OCC 34a_100016288707_100000750268 [0,0,0,0,0,0|2,0,2]=4 140 B15R0.366 CC/C=C\CCOCCCCC(=O)OCC 7a_100016288707_100000750268 [0,0,0,0,0,0|2,0,2]=4 141 B15R0.366 CC/C=C\CCSCCCCC(=O)OCC 62a_100000750268_100015370543 [0,0,0,0,0,0|2,0,2]=4 142 B15R0.366 CC/C=C\CCSCCCCC(=O)OCC 62a_100015370543_100000750268 [0,0,0,0,0,0|2,0,2]=4 143 B15R0.366 CC/C=C\COCCCCCC(=O)OCC 34a_100016268518_100000755133 [0,0,0,0,0,0|2,0,2]=4 144 B15R0.366 CC/C=C\COCCCCCC(=O)OCC 7a_100011214988_100103147603 [0,0,0,0,0,0|2,0,2]=4 145 B15R0.366 CC/C=C\CSCCCCCC(=O)OCC 62a_100000755133_100103147603 [0,0,0,0,0,0|2,0,2]=4 146 B15R0.366 CC/C=C\CSCCCCCC(=O)OCC 62a_100103147603_100000755133 [0,0,0,0,0,0|2,0,2]=4 147 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [0,0,0,0,0,0|1,0,1]=2 148 B15R0.366 CC=CC(=O)CCCCCCCCCCO 1458a_100000210699_100009813290 [0,0,0,0,0,0|2,0,1]=3 149 B15R0.366 CC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000210699 [0,0,0,0,0,0|2,0,1]=3 150 B15R0.366 CC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000210699 [0,0,0,0,0,0|2,0,1]=3 151 B15R0.366 CC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000210699 [0,0,0,0,0,0|2,0,1]=3 152 B15R0.366 CC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000210699 [0,0,0,0,0,0|3,0,1]=4 153 B15R0.366 CC=CCCCOCCCCC(=O)OCC 34a_100020645299_100000750268 [0,0,0,0,0,0|2,0,2]=4 154 B15R0.366 CC=CCSCCCCCCC(=O)OCC 62a_100000070051_100009814379 [0,0,0,0,0,0|2,0,2]=4 155 B15R0.366 CCC#CCCOCCCCC(=O)OCC 34a_100000036655_100000750268 [0,0,0,0,0,0|2,0,2]=4 156 B15R0.366 CCC#CCCOCCCCC(=O)OCC 7a_100000036655_100000750268 [0,0,0,0,0,0|2,0,2]=4 157 B15R0.366 CCC#CCOCCCCCC(=O)OCC 34a_100000032950_100000755133 [0,0,0,0,0,0|2,0,2]=4 158 B15R0.366 CCC#CCOCCCCCC(=O)OCC 7a_100011214988_100009813939 [0,0,0,0,0,0|2,0,2]=4 159 B15R0.366 CCC#CCSCCCCCC(=O)OCC 62a_100000755133_100009813939 [0,0,0,0,0,0|2,0,2]=4 160 B15R0.366 CCC#CCSCCCCCC(=O)OCC 62a_100009813939_100000755133 [0,0,0,0,0,0|2,0,2]=4 161 B15R0.366 CCC/C=C/COCCCCC(=O)OCC 34a_100016278788_100000750268 [0,0,0,0,0,0|2,0,2]=4 162 B15R0.366 CCC/C=C/COCCCCC(=O)OCC 7a_100016278788_100000750268 [0,0,0,0,0,0|2,0,2]=4 163 B15R0.366 CCCC#CCCOCCCC(=O)OCC 34a_100000042726_100009991533 [0,0,0,0,0,0|2,0,2]=4 164 B15R0.366 CCCC#CCCOCCCC(=O)OCC 7a_100000042726_100011215271 [0,0,0,0,0,0|2,0,2]=4 165 B15R0.366 CCCC#CCOCCCCC(=O)OCC 34a_100000034806_100000750268 [0,0,0,0,0,0|2,0,2]=4 166 B15R0.366 CCCC#CCOCCCCC(=O)OCC 7a_100000034806_100000750268 [0,0,0,0,0,0|2,0,2]=4 167 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,0,0,0,0,0|2,0,0]=2 168 B15R0.366 CCCC(=O)CNCCCCCCCCO 2230a_102515433106_100000747444 [0,0,0,0,0,0|3,0,0]=3 169 B15R0.366 CCCC(=O)COCCCCCCCCBr 7a_100009813846_100000747444 [0,0,0,0,0,0|3,0,0]=3 170 B15R0.366 CCCC(=O)COCCCCCCCCCl 7a_100000033203_100000747444 [0,0,0,0,0,0|3,0,0]=3 171 B15R0.366 CCCC(=O)COCCCOCCCOC 7a_200011215475_100000747444 [0,0,0,0,0,0|4,0,0]=4 172 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000033203_100000747444 [0,0,0,0,0,0|3,0,0]=3 173 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000747444_100000033203 [0,0,0,0,0,0|3,0,0]=3 174 B15R0.366 CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211992 [0,0,0,0,0,0|3,0,0]=3 175 B15R0.366 CCCC(=O)OCNCCCCCCCO 2230a_100011996573_100000034017 [0,0,0,0,0,0|4,0,0]=4 176 B15R0.366 CCCC(=O)OCNCCCCCCCO 34a_100011996573_100000034017 [0,0,0,0,0,0|4,0,0]=4 177 B15R0.366 CCCC(=O)OCOCCCCCCCBr 34a_100000760002_100000034017 [0,0,0,0,0,0|4,0,0]=4 178 B15R0.366 CCCC(=O)OCOCCCCCCCN 34a_100011996573_100000034017 [0,0,0,0,0,0|4,0,0]=4 179 B15R0.366 CCCC(=O)OCOCCCCCCOC 34a_200012092642_100000034017 [0,0,0,0,0,0|4,0,0]=4 180 B15R0.366 CCCC(=O)OCSCCCCCCCO 62a_100000760002_100000034017 [0,0,0,0,0,0|4,0,0]=4 181 B15R0.366 CCCC(=O)OCSCCCCCCOC 62a_100011998445_100000034017 [0,0,0,0,0,0|4,0,0]=4 182 B15R0.366 CCCC/C=C/COCCCC(=O)OCC 34a_200016272032_100009991533 [0,0,0,0,0,0|2,0,2]=4 183 B15R0.366 CCCC/C=C/COCCCC(=O)OCC 7a_200016272032_100011215271 [0,0,0,0,0,0|2,0,2]=4 184 B15R0.366 CCCC/C=C\CCOCCC(=O)NCC 7a_200016286491_100000737597 [0,0,0,0,0,0|1,0,2]=3 185 B15R0.366 CCCC/C=C\CCOCCC(=O)OCC 34a_200016286491_100000765890 [0,0,0,0,0,0|2,0,2]=4 186 B15R0.366 CCCC/C=C\CCOCCC(=O)OCC 7a_200016286491_100011206558 [0,0,0,0,0,0|2,0,2]=4 187 B15R0.366 CCCCC#CCCCNCC(=O)NCC 2230a_100016988866_200000047210 [0,0,0,0,0,0|1,0,2]=3 188 B15R0.366 CCCCC#CCCCSCC(=O)CCC 62a_100000747444_200000047210 [0,0,0,0,0,0|2,0,2]=4 189 B15R0.366 CCCCC#CCCCSCC(=O)CCC 62a_200000047210_100000747444 [0,0,0,0,0,0|2,0,2]=4 190 B15R0.366 CCCCC#CCCCSCC(=O)NCC 62a_100000183381_200000047210 [0,0,0,0,0,0|1,0,2]=3 191 B15R0.366 CCCCC#CCCCSCC(=O)NCC 62a_200000047210_100000183381 [0,0,0,0,0,0|1,0,2]=3 192 B15R0.366 CCCCC#CCCCSCC(=O)NCO 62a_100000185155_200000047210 [0,0,0,0,0,0|2,0,2]=4 193 B15R0.366 CCCCC#CCCCSCC(=O)NCO 62a_200000047210_100000185155 [0,0,0,0,0,0|2,0,2]=4 194 B15R0.366 CCCCC#CCCCSCC(=O)OCC 62a_100000188475_200000047210 [0,0,0,0,0,0|2,0,2]=4 195 B15R0.366 CCCCC#CCCCSCC(=O)OCC 62a_200000047210_100000188475 [0,0,0,0,0,0|2,0,2]=4 196 B15R0.366 CCCCC#CCCOCCC(=O)NCC 7a_100000037610_100000737597 [0,0,0,0,0,0|1,0,2]=3 197 B15R0.366 CCCCC#CCCOCCC(=O)OCC 34a_100000037610_100000765890 [0,0,0,0,0,0|2,0,2]=4 198 B15R0.366 CCCCC#CCCOCCC(=O)OCC 7a_100000037610_100011206558 [0,0,0,0,0,0|2,0,2]=4 199 B15R0.366 CCCCC#CCOCCCC(=O)OCC 34a_200000034558_100009991533 [0,0,0,0,0,0|2,0,2]=4 200 B15R0.366 CCCCC#CCOCCCC(=O)OCC 7a_200000034558_100011215271 [0,0,0,0,0,0|2,0,2]=4 201 B15R0.366 CCCCC/C=C/COCCC(=O)NCC 7a_100016258190_100000737597 [0,0,0,0,0,0|1,0,2]=3 202 B15R0.366 CCCCC/C=C/COCCC(=O)OCC 34a_100016258190_100000765890 [0,0,0,0,0,0|2,0,2]=4 203 B15R0.366 CCCCC/C=C/COCCC(=O)OCC 7a_100016258190_100011206558 [0,0,0,0,0,0|2,0,2]=4 204 B15R0.366 CCCCC/C=C\CCOCC(=O)CCC 7a_100016277358_100000747444 [0,0,0,0,0,0|2,0,2]=4 205 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 34a_100016277358_100000183381 [0,0,0,0,0,0|1,0,2]=3 206 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 7a_100016277358_100000183381 [0,0,0,0,0,0|1,0,2]=3 207 B15R0.366 CCCCC/C=C\CCOCC(=O)NCO 34a_100016277358_100000185155 [0,0,0,0,0,0|2,0,2]=4 208 B15R0.366 CCCCC/C=C\CCOCC(=O)NCO 7a_100016277358_100000185155 [0,0,0,0,0,0|2,0,2]=4 209 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 34a_100016277358_100000188475 [0,0,0,0,0,0|2,0,2]=4 210 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 7a_100016277358_100000188475 [0,0,0,0,0,0|2,0,2]=4 211 B15R0.366 CCCCCC#CCCOCC(=O)CCC 7a_200000042877_100000747444 [0,0,0,0,0,0|2,0,2]=4 212 B15R0.366 CCCCCC#CCCOCC(=O)NCC 34a_200000042877_100000183381 [0,0,0,0,0,0|1,0,2]=3 213 B15R0.366 CCCCCC#CCCOCC(=O)NCC 7a_200000042877_100000183381 [0,0,0,0,0,0|1,0,2]=3 214 B15R0.366 CCCCCC#CCCOCC(=O)NCO 34a_200000042877_100000185155 [0,0,0,0,0,0|2,0,2]=4 215 B15R0.366 CCCCCC#CCCOCC(=O)NCO 7a_200000042877_100000185155 [0,0,0,0,0,0|2,0,2]=4 216 B15R0.366 CCCCCC#CCCOCC(=O)OCC 34a_200000042877_100000188475 [0,0,0,0,0,0|2,0,2]=4 217 B15R0.366 CCCCCC#CCCOCC(=O)OCC 7a_200000042877_100000188475 [0,0,0,0,0,0|2,0,2]=4 218 B15R0.366 CCCCCC#CCNCCC(=O)NCC 34a_100025743525_100009816472 [0,0,0,0,0,0|1,0,2]=3 219 B15R0.366 CCCCCC#CCOCCC(=O)NCC 7a_200000033628_100000737597 [0,0,0,0,0,0|1,0,2]=3 220 B15R0.366 CCCCCC#CCOCCC(=O)OCC 34a_200000033628_100000765890 [0,0,0,0,0,0|2,0,2]=4 221 B15R0.366 CCCCCC#CCOCCC(=O)OCC 7a_200000033628_100011206558 [0,0,0,0,0,0|2,0,2]=4 222 B15R0.366 CCCCCC#CCSCCC(=O)NCC 62a_100000737597_100009816472 [0,0,0,0,0,0|1,0,2]=3 223 B15R0.366 CCCCCC#CCSCCC(=O)NCC 62a_100009816472_100000737597 [0,0,0,0,0,0|1,0,2]=3 224 B15R0.366 CCCCCC#CCSCCC(=O)OCC 62a_100000765890_100009816472 [0,0,0,0,0,0|2,0,2]=4 225 B15R0.366 CCCCCC#CCSCCC(=O)OCC 62a_100009816472_100000765890 [0,0,0,0,0,0|2,0,2]=4 226 B15R0.366 CCCCCC/C=C/COCC(=O)CCC 7a_200016276170_100000747444 [0,0,0,0,0,0|2,0,2]=4 227 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 34a_200016276170_100000183381 [0,0,0,0,0,0|1,0,2]=3 228 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 7a_200016276170_100000183381 [0,0,0,0,0,0|1,0,2]=3 229 B15R0.366 CCCCCC/C=C/COCC(=O)NCO 34a_200016276170_100000185155 [0,0,0,0,0,0|2,0,2]=4 230 B15R0.366 CCCCCC/C=C/COCC(=O)NCO 7a_200016276170_100000185155 [0,0,0,0,0,0|2,0,2]=4 231 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 34a_200016276170_100000188475 [0,0,0,0,0,0|2,0,2]=4 232 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 7a_200016276170_100000188475 [0,0,0,0,0,0|2,0,2]=4 233 B15R0.366 CCCCCCC#CCOCC(=O)CCC 7a_200000037284_100000747444 [0,0,0,0,0,0|2,0,2]=4 234 B15R0.366 CCCCCCC#CCOCC(=O)NCC 34a_200000037284_100000183381 [0,0,0,0,0,0|1,0,2]=3 235 B15R0.366 CCCCCCC#CCOCC(=O)NCC 7a_200000037284_100000183381 [0,0,0,0,0,0|1,0,2]=3 236 B15R0.366 CCCCCCC#CCOCC(=O)NCO 34a_200000037284_100000185155 [0,0,0,0,0,0|2,0,2]=4 237 B15R0.366 CCCCCCC#CCOCC(=O)NCO 7a_200000037284_100000185155 [0,0,0,0,0,0|2,0,2]=4 238 B15R0.366 CCCCCCC#CCOCC(=O)OCC 34a_200000037284_100000188475 [0,0,0,0,0,0|2,0,2]=4 239 B15R0.366 CCCCCCC#CCOCC(=O)OCC 7a_200000037284_100000188475 [0,0,0,0,0,0|2,0,2]=4 240 B15R0.366 CCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218696 [0,0,0,0,0,0|3,0,1]=4 241 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [0,0,0,0,0,0|1,0,2]=3 242 B15R0.366 CCCCCCCCCC=CC(=O)CCF 1458a_200015352897_100011217306 [0,0,0,0,0,0|2,0,2]=4 243 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [0,0,0,0,0,0|2,0,2]=4 244 B15R0.366 CCCCCCCCCC=CC(=O)NCC 11a_100015525214_200015352897 [0,0,0,0,0,0|0,0,2]=2 245 B15R0.366 CCCCCCCCCC=CC(=O)NCC 240690a_100015525214_200015352897 [0,0,0,0,0,0|0,0,2]=2 246 B15R0.366 CCCCCCCCCC=CC(=O)NNC 22a_100016993582_200015352897 [0,0,0,0,0,0|1,0,2]=3 247 B15R0.366 CCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100011215454 [0,0,0,0,0,0|2,0,1]=3 248 B15R0.366 CCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100011215454 [0,0,0,0,0,0|2,0,1]=3 249 B15R0.366 CCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100011215454 [0,0,0,0,0,0|2,0,1]=3 250 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100000210736_100011214920 [0,0,0,0,0,0|2,0,1]=3 251 B15R0.366 CCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100011215454 [0,0,0,0,0,0|2,0,1]=3 252 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,0,0,0,0,0|1,0,0]=1 253 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,0,0,0,0,0|1,0,0]=1 254 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,0,0,0,0,0|2,0,0]=2 255 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,0,0,0,0,0|2,0,0]=2 256 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,0,0,0,0,0|2,0,0]=2 257 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,0,0,0,0,0|2,0,0]=2 258 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,0,0,0,0,0|2,0,0]=2 259 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [0,0,0,0,0,0|0,0,0]=0 260 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [0,0,0,0,0,0|0,0,0]=0 261 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [0,0,0,0,0,0|1,0,0]=1 262 B15R0.366 CCCCCCCCCCCC(C)NCC 270004a_100015525214_100011216755 [0,0,0,0,0,0|1,0,1]=2 263 B15R0.366 CCCCCCCCCCCC(C)OCC 34a_100011217895_100000210202 [0,0,0,0,0,0|2,0,1]=3 264 B15R0.366 CCCCCCCCCCCC(C)OCC 7a_100011217895_100000210202 [0,0,0,0,0,0|2,0,1]=3 265 B15R0.366 CCCCCCCCCCCC(C)OCF 34a_100011217895_100015361967 [0,0,0,0,0,0|3,0,1]=4 266 B15R0.366 CCCCCCCCCCCC(C)OCF 7a_100011217895_100015361967 [0,0,0,0,0,0|3,0,1]=4 267 B15R0.366 CCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215454 [0,0,0,0,0,0|3,0,0]=3 268 B15R0.366 CCCCCCCCCCCN(C)CCC 269982a_100000747261_100011215454 [0,0,0,0,0,0|3,0,0]=3 269 B15R0.366 CCCCCCCCCCCN(C)CCO 2230a_100000210263_100011215454 [0,0,0,0,0,0|4,0,0]=4 270 B15R0.366 CCCCCCCCCCCN(C)CCO 269982a_100000210263_100011215454 [0,0,0,0,0,0|4,0,0]=4 271 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 1626a_100000684558_100016273825 [0,0,0,0,0,0|3,0,1]=4 272 B15R0.366 CCCCCCCCCCNC(=O)C=CBr 240690a_100000684558_100016273825 [0,0,0,0,0,0|3,0,1]=4 273 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 11a_100000684558_200016279998 [0,0,0,0,0,0|3,0,1]=4 274 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 1626a_100000684558_200016279998 [0,0,0,0,0,0|3,0,1]=4 275 B15R0.366 CCCCCCCCCCNC(=O)C=CCl 240690a_100000684558_200016279998 [0,0,0,0,0,0|3,0,1]=4 276 B15R0.366 CCCCCCCCCCNC(=O)C=CI 1626a_100000684558_100016256311 [0,0,0,0,0,0|3,0,1]=4 277 B15R0.366 CCCCCCCCCCNC(=O)CC#N 1626a_100000684558_100051588842 [0,0,0,0,0,0|3,0,1]=4 278 B15R0.366 CCCCCCCCCCNC(=O)CC#N 240690a_100000684558_100051588842 [0,0,0,0,0,0|3,0,1]=4 279 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [0,0,0,0,0,0|2,0,0]=2 280 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [0,0,0,0,0,0|2,0,0]=2 281 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [0,0,0,0,0,0|2,0,0]=2 282 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [0,0,0,0,0,0|2,0,0]=2 283 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [0,0,0,0,0,0|3,0,0]=3 284 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,0,0,0,0,0|3,0,0]=3 285 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,0,0,0,0,0|3,0,0]=3 286 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,0,0,0,0,0|3,0,0]=3 287 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,0,0,0,0,0|3,0,0]=3 288 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [0,0,0,0,0,0|3,0,0]=3 289 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [0,0,0,0,0,0|3,0,0]=3 290 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [0,0,0,0,0,0|3,0,0]=3 291 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [0,0,0,0,0,0|3,0,0]=3 292 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [0,0,0,0,0,0|1,0,0]=1 293 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [0,0,0,0,0,0|1,0,0]=1 294 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [0,0,0,0,0,0|1,0,0]=1 295 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [0,0,0,0,0,0|1,0,0]=1 296 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [0,0,0,0,0,0|1,0,0]=1 297 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [0,0,0,0,0,0|1,0,0]=1 298 B15R0.366 CCCCCCCCCCNC(=O)NNC 273464a_100000684558_100016993582 [0,0,0,0,0,0|2,0,0]=2 299 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100000684558_100016993582 [0,0,0,0,0,0|2,0,0]=2 300 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100016993582_100000684558 [0,0,0,0,0,0|2,0,0]=2 301 B15R0.366 CCCCCCCCCCNC(C)CCC 2230a_100000684558_100000766640 [0,0,0,0,0,0|3,0,1]=4 302 B15R0.366 CCCCCCCCCCNC(C)CCC 2230a_100000741246_100000210320 [0,0,0,0,0,0|3,0,1]=4 303 B15R0.366 CCCCCCCCCCNC(C)CCC 270004a_100000684558_100000211909 [0,0,0,0,0,0|3,0,1]=4 304 B15R0.366 CCCCCCCCCCNC(C)CCC 34a_100000684558_100000766640 [0,0,0,0,0,0|3,0,1]=4 305 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [0,0,0,0,0,0|3,0,0]=3 306 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [0,0,0,0,0,0|3,0,0]=3 307 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [0,0,0,0,0,0|3,0,0]=3 308 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,0,0,0,0,0|3,0,0]=3 309 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [0,0,0,0,0,0|3,0,0]=3 310 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [0,0,0,0,0,0|3,0,0]=3 311 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [0,0,0,0,0,0|3,0,0]=3 312 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [0,0,0,0,0,0|3,0,0]=3 313 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000210711_100000766640 [0,0,0,0,0,0|3,0,1]=4 314 B15R0.366 CCCCCCCCCCOC(C)CCC 34a_100000764384_100000210320 [0,0,0,0,0,0|3,0,1]=4 315 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000210711_100000766640 [0,0,0,0,0,0|3,0,1]=4 316 B15R0.366 CCCCCCCCCCOC(C)CCC 7a_100000764384_100000210320 [0,0,0,0,0,0|3,0,1]=4 317 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [0,0,0,0,0,0|2,0,0]=2 318 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [0,0,0,0,0,0|1,0,0]=1 319 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [0,0,0,0,0,0|1,0,0]=1 320 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [0,0,0,0,0,0|1,0,0]=1 321 B15R0.366 CCCCCCCCCNCC(=O)NCO 2230a_100000212291_100000185155 [0,0,0,0,0,0|2,0,0]=2 322 B15R0.366 CCCCCCCCCNCC(=O)NCO 34a_100000212291_100000185155 [0,0,0,0,0,0|2,0,0]=2 323 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,0,0,0,0,0|2,0,0]=2 324 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,0,0,0,0,0|2,0,0]=2 325 B15R0.366 CCCCCCCCCNCC(C)CCC 2230a_100000212291_100011216630 [0,0,0,0,0,0|3,0,1]=4 326 B15R0.366 CCCCCCCCCNCC(C)CCC 270004a_100000212291_100000243154 [0,0,0,0,0,0|3,0,1]=4 327 B15R0.366 CCCCCCCCCNCC(C)CCC 34a_100000212291_100011216630 [0,0,0,0,0,0|3,0,1]=4 328 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [0,0,0,0,0,0|2,0,0]=2 329 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [0,0,0,0,0,0|1,0,0]=1 330 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [0,0,0,0,0,0|1,0,0]=1 331 B15R0.366 CCCCCCCCCOCC(=O)NCO 34a_100000210712_100000185155 [0,0,0,0,0,0|2,0,0]=2 332 B15R0.366 CCCCCCCCCOCC(=O)NCO 7a_100000210712_100000185155 [0,0,0,0,0,0|2,0,0]=2 333 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,0,0,0,0,0|2,0,0]=2 334 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,0,0,0,0,0|2,0,0]=2 335 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000210712_100011216630 [0,0,0,0,0,0|3,0,1]=4 336 B15R0.366 CCCCCCCCCOCC(C)CCC 34a_100000688023_100011214924 [0,0,0,0,0,0|3,0,1]=4 337 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000210712_100011216630 [0,0,0,0,0,0|3,0,1]=4 338 B15R0.366 CCCCCCCCCOCC(C)CCC 7a_100000688023_100000210328 [0,0,0,0,0,0|3,0,1]=4 339 B15R0.366 CCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011214924 [0,0,0,0,0,0|3,0,1]=4 340 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [0,0,0,0,0,0|2,0,0]=2 341 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [0,0,0,0,0,0|1,0,0]=1 342 B15R0.366 CCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210670 [0,0,0,0,0,0|2,0,0]=2 343 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,0,0,0,0,0|2,0,0]=2 344 B15R0.366 CCCCCCCCCSCC(C)CCC 62a_100011216630_100000210670 [0,0,0,0,0,0|3,0,1]=4 345 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [0,0,0,0,0,0|1,0,0]=1 346 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [0,0,0,0,0,0|1,0,0]=1 347 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,0,0,0,0,0|2,0,0]=2 348 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,0,0,0,0,0|2,0,0]=2 349 B15R0.366 CCCCCCCCNCOC(=O)CCC 2230a_100000229939_100000034017 [0,0,0,0,0,0|3,0,0]=3 350 B15R0.366 CCCCCCCCNCOC(=O)CCC 34a_100000229939_100000034017 [0,0,0,0,0,0|3,0,0]=3 351 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [0,0,0,0,0,0|1,0,0]=1 352 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,0,0,0,0,0|2,0,0]=2 353 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,0,0,0,0,0|2,0,0]=2 354 B15R0.366 CCCCCCCCOCCC(C)CCC 34a_100011217855_100000210759 [0,0,0,0,0,0|3,0,1]=4 355 B15R0.366 CCCCCCCCOCCC(C)CCC 7a_100011217855_100000210759 [0,0,0,0,0,0|3,0,1]=4 356 B15R0.366 CCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210759 [0,0,0,0,0,0|3,0,1]=4 357 B15R0.366 CCCCCCCCOCOC(=O)CCC 34a_100000210232_100000034017 [0,0,0,0,0,0|3,0,0]=3 358 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [0,0,0,0,0,0|1,0,0]=1 359 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [0,0,0,0,0,0|1,0,0]=1 360 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,0,0,0,0,0|2,0,0]=2 361 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,0,0,0,0,0|2,0,0]=2 362 B15R0.366 CCCCCCCCSCOC(=O)CCC 62a_100000210759_100000034017 [0,0,0,0,0,0|3,0,0]=3 363 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,0,0,0,0,0|3,0,0]=3 364 B15R0.366 CCCCCCCNC/C=C/C(=O)OCC 2230a_100000229938_100016267167 [0,0,0,0,0,0|2,0,2]=4 365 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,0,0,0,0,0|2,0,0]=2 366 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 34a_100000210272_100016267167 [0,0,0,0,0,0|2,0,2]=4 367 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 7a_100000210272_100016267167 [0,0,0,0,0,0|2,0,2]=4 368 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,0,0,0,0,0|2,0,0]=2 369 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,0,0,0,0,0|2,0,0]=2 370 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,0,0,0,0,0|2,0,0]=2 371 B15R0.366 CCCCCCCOCCCC(C)CCC 34a_100011713154_100000210614 [0,0,0,0,0,0|3,0,1]=4 372 B15R0.366 CCCCCCCOCCCC(C)CCC 7a_100011713154_100000210614 [0,0,0,0,0,0|3,0,1]=4 373 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,0,0,0,0,0|3,0,0]=3 374 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,0,0,0,0,0|3,0,0]=3 375 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100000210614_100016267167 [0,0,0,0,0,0|2,0,2]=4 376 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210316 [0,0,0,0,0,0|2,0,2]=4 377 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,0,0,0,0,0|2,0,0]=2 378 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,0,0,0,0,0|2,0,0]=2 379 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,0,0,0,0,0|3,0,0]=3 380 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,0,0,0,0,0|2,0,0]=2 381 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [0,0,0,0,0,0|3,0,0]=3 382 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,0,0,0,0,0|2,0,0]=2 383 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,0,0,0,0,0|2,0,0]=2 384 B15R0.366 CCCCCCOCCOCC(=O)CCC 7a_100000691444_100000747444 [0,0,0,0,0,0|3,0,0]=3 385 B15R0.366 CCCCCCOCCOCC(=O)NCC 34a_100000691444_100000183381 [0,0,0,0,0,0|2,0,0]=2 386 B15R0.366 CCCCCCOCCOCC(=O)NCC 7a_100000691444_100000183381 [0,0,0,0,0,0|2,0,0]=2 387 B15R0.366 CCCCCCOCCOCC(=O)NCO 34a_100000691444_100000185155 [0,0,0,0,0,0|3,0,0]=3 388 B15R0.366 CCCCCCOCCOCC(=O)NCO 7a_100000691444_100000185155 [0,0,0,0,0,0|3,0,0]=3 389 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [0,0,0,0,0,0|3,0,0]=3 390 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [0,0,0,0,0,0|3,0,0]=3 391 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [0,0,0,0,0,0|3,0,0]=3 392 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [0,0,0,0,0,0|3,0,0]=3 393 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [0,0,0,0,0,0|3,0,0]=3 394 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,0,0,0,0,0|2,0,0]=2 395 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,0,0,0,0,0|2,0,0]=2 396 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [0,0,0,0,0,0|3,0,0]=3 397 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [0,0,0,0,0,0|3,0,0]=3 398 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,0,0,0,0,0|2,0,0]=2 399 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [0,0,0,0,0,0|3,0,0]=3 400 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [0,0,0,0,0,0|3,0,0]=3 401 B15R0.366 CCCCCNCCOCOC(=O)CCC 34a_100000224656_100000034017 [0,0,0,0,0,0|4,0,0]=4 402 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,0,0,0,0,0|2,0,0]=2 403 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,0,0,0,0,0|2,0,0]=2 404 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,0,0,0,0,0|2,0,0]=2 405 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [0,0,0,0,0,0|3,0,0]=3 406 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [0,0,0,0,0,0|3,0,0]=3 407 B15R0.366 CCCCCOCCOCCC(=O)NCC 7a_100011215259_100000737597 [0,0,0,0,0,0|2,0,0]=2 408 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [0,0,0,0,0,0|3,0,0]=3 409 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [0,0,0,0,0,0|3,0,0]=3 410 B15R0.366 CCCCCOCCOCOC(=O)CCC 34a_100011215259_100000034017 [0,0,0,0,0,0|4,0,0]=4 411 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,0,0,0,0,0|2,0,0]=2 412 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,0,0,0,0,0|2,0,0]=2 413 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [0,0,0,0,0,0|3,0,0]=3 414 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [0,0,0,0,0,0|3,0,0]=3 415 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,0,0,0,0,0|2,0,0]=2 416 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,0,0,0,0,0|2,0,0]=2 417 B15R0.366 CCCCNCCCCOCC(=O)NCC 34a_200011216965_100000183381 [0,0,0,0,0,0|2,0,0]=2 418 B15R0.366 CCCCNCCCCOCC(=O)NCO 34a_200011216965_100000185155 [0,0,0,0,0,0|3,0,0]=3 419 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [0,0,0,0,0,0|3,0,0]=3 420 B15R0.366 CCCCNN=CCCCCC(=O)OCC 4a_100025702795_100012182868 [0,0,0,0,0,0|3,0,1]=4 421 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,0,0,0,0,0|2,0,0]=2 422 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,0,0,0,0,0|2,0,0]=2 423 B15R0.366 CCCCOCCCCOCC(=O)CCC 7a_200000760531_100000747444 [0,0,0,0,0,0|3,0,0]=3 424 B15R0.366 CCCCOCCCCOCC(=O)NCC 34a_200000760531_100000183381 [0,0,0,0,0,0|2,0,0]=2 425 B15R0.366 CCCCOCCCCOCC(=O)NCC 7a_200000760531_100000183381 [0,0,0,0,0,0|2,0,0]=2 426 B15R0.366 CCCCOCCCCOCC(=O)NCO 34a_200000760531_100000185155 [0,0,0,0,0,0|3,0,0]=3 427 B15R0.366 CCCCOCCCCOCC(=O)NCO 7a_200000760531_100000185155 [0,0,0,0,0,0|3,0,0]=3 428 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [0,0,0,0,0,0|3,0,0]=3 429 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [0,0,0,0,0,0|3,0,0]=3 430 B15R0.366 CCCCOCCCNCCC(=O)NCC 2230a_200000211371_100000737597 [0,0,0,0,0,0|2,0,0]=2 431 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [0,0,0,0,0,0|3,0,0]=3 432 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [0,0,0,0,0,0|3,0,0]=3 433 B15R0.366 CCCCOCCCNCOC(=O)CCC 2230a_200000211371_100000034017 [0,0,0,0,0,0|4,0,0]=4 434 B15R0.366 CCCCOCCCNCOC(=O)CCC 34a_200000211371_100000034017 [0,0,0,0,0,0|4,0,0]=4 435 B15R0.366 CCCCOCCCOCCC(=O)NCC 7a_200011215613_100000737597 [0,0,0,0,0,0|2,0,0]=2 436 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [0,0,0,0,0,0|3,0,0]=3 437 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [0,0,0,0,0,0|3,0,0]=3 438 B15R0.366 CCCCOCCCOCOC(=O)CCC 34a_200011215613_100000034017 [0,0,0,0,0,0|4,0,0]=4 439 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [0,0,0,0,0,0|3,0,0]=3 440 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [0,0,0,0,0,0|3,0,0]=3 441 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [0,0,0,0,0,0|3,0,0]=3 442 B15R0.366 CCCCOCCOCCNC(=O)OCC 34a_100000158857_100000743108 [0,0,0,0,0,0|4,0,0]=4 443 B15R0.366 CCCCOCCOCCNC(=O)OCC 7a_100000210238_200011445536 [0,0,0,0,0,0|4,0,0]=4 444 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [0,0,0,0,0,0|3,0,0]=3 445 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [0,0,0,0,0,0|3,0,0]=3 446 B15R0.366 CCCCOCCSCCNC(=O)OCC 62a_100000743108_200011445536 [0,0,0,0,0,0|4,0,0]=4 447 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [0,0,0,0,0,0|3,0,0]=3 448 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [0,0,0,0,0,0|3,0,0]=3 449 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100000088970_100011995733 [0,0,0,0,0,0|4,0,0]=4 450 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100011995733_100000088970 [0,0,0,0,0,0|4,0,0]=4 451 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,0,0,0,0,0|2,0,0]=2 452 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [0,0,0,0,0,0|3,0,0]=3 453 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [0,0,0,0,0,0|3,0,0]=3 454 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [0,0,0,0,0,0|3,0,0]=3 455 B15R0.366 CCCCSCCOCCNC(=O)OCC 7a_200000230436_200011445536 [0,0,0,0,0,0|4,0,0]=4 456 B15R0.366 CCCN(C)CCCCCCCCCCO 2230a_100000747261_100009813290 [0,0,0,0,0,0|4,0,0]=4 457 B15R0.366 CCCN(C)CCCCCCCCCCO 269982a_100000747261_100009813290 [0,0,0,0,0,0|4,0,0]=4 458 B15R0.366 CCCNN=CCCCCCC(=O)OCC 4a_100000740057_100000085164 [0,0,0,0,0,0|3,0,1]=4 459 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,0,0,0,0,0|2,0,0]=2 460 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [0,0,0,0,0,0|3,0,0]=3 461 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [0,0,0,0,0,0|3,0,0]=3 462 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [0,0,0,0,0,0|3,0,0]=3 463 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [0,0,0,0,0,0|3,0,0]=3 464 B15R0.366 CCCOCCNCCOCC(=O)OCC 2230a_100161115042_100000088970 [0,0,0,0,0,0|4,0,0]=4 465 B15R0.366 CCCOCCNCCOCC(=O)OCC 34a_100161115042_100000088970 [0,0,0,0,0,0|4,0,0]=4 466 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [0,0,0,0,0,0|3,0,0]=3 467 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [0,0,0,0,0,0|3,0,0]=3 468 B15R0.366 CCCOCCOCCNCC(=O)CCC 2230a_200011904461_100000747444 [0,0,0,0,0,0|4,0,0]=4 469 B15R0.366 CCCOCCOCCNCC(=O)NCC 2230a_200011904461_100000183381 [0,0,0,0,0,0|3,0,0]=3 470 B15R0.366 CCCOCCOCCNCC(=O)NCC 34a_200011904461_100000183381 [0,0,0,0,0,0|3,0,0]=3 471 B15R0.366 CCCOCCOCCNCC(=O)NCO 2230a_200011904461_100000185155 [0,0,0,0,0,0|4,0,0]=4 472 B15R0.366 CCCOCCOCCNCC(=O)NCO 34a_200011904461_100000185155 [0,0,0,0,0,0|4,0,0]=4 473 B15R0.366 CCCOCCOCCNCC(=O)OCC 2230a_200011904461_100000188475 [0,0,0,0,0,0|4,0,0]=4 474 B15R0.366 CCCOCCOCCNCC(=O)OCC 34a_200011904461_100000188475 [0,0,0,0,0,0|4,0,0]=4 475 B15R0.366 CCCOCCOCCOCC(=O)OCC 34a_100000752267_100000088970 [0,0,0,0,0,0|4,0,0]=4 476 B15R0.366 CCCOCCOCCOCC(=O)OCC 7a_100000752267_100000088970 [0,0,0,0,0,0|4,0,0]=4 477 B15R0.366 CCCOCCOCCSCC(=O)OCC 7a_200000230590_100011215938 [0,0,0,0,0,0|4,0,0]=4 478 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [0,0,0,0,0,0|3,0,0]=3 479 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [0,0,0,0,0,0|3,0,0]=3 480 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100000088970_100011215938 [0,0,0,0,0,0|4,0,0]=4 481 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100011215938_100000088970 [0,0,0,0,0,0|4,0,0]=4 482 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,0,0,0,0,0|2,0,0]=2 483 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [0,0,0,0,0,0|3,0,0]=3 484 B15R0.366 CCCSCCNCCOCC(=O)OCC 2230a_100020603323_100000088970 [0,0,0,0,0,0|4,0,0]=4 485 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [0,0,0,0,0,0|3,0,0]=3 486 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [0,0,0,0,0,0|3,0,0]=3 487 B15R0.366 CCCSCCOCCOCC(=O)OCC 34a_200000230433_100000088970 [0,0,0,0,0,0|4,0,0]=4 488 B15R0.366 CCCSCCOCCOCC(=O)OCC 7a_200000230433_100000088970 [0,0,0,0,0,0|4,0,0]=4 489 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [0,0,0,0,0,0|1,0,0]=1 490 B15R0.366 CCNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737597 [0,0,0,0,0,0|2,0,0]=2 491 B15R0.366 CCNC(=O)CCNCCCCCCCO 34a_100025743525_100000760002 [0,0,0,0,0,0|2,0,0]=2 492 B15R0.366 CCNC(=O)CCNCCCCCCOC 34a_100025743525_100011998445 [0,0,0,0,0,0|2,0,0]=2 493 B15R0.366 CCNC(=O)CCNCCCOCCCO 2230a_100011310245_100000737597 [0,0,0,0,0,0|3,0,0]=3 494 B15R0.366 CCNC(=O)CCNCCCOCCOC 2230a_100000206027_100000737597 [0,0,0,0,0,0|3,0,0]=3 495 B15R0.366 CCNC(=O)CCNCCCOCCOC 34a_100025743525_100011216529 [0,0,0,0,0,0|3,0,0]=3 496 B15R0.366 CCNC(=O)CCNCCOCCOCC 2230a_100102712874_100000737597 [0,0,0,0,0,0|3,0,0]=3 497 B15R0.366 CCNC(=O)CCNCCOCCOCC 34a_100025743525_100011211534 [0,0,0,0,0,0|3,0,0]=3 498 B15R0.366 CCNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737597 [0,0,0,0,0,0|2,0,0]=2 499 B15R0.366 CCNC(=O)CCOCCCCCCOC 7a_200012092642_100000737597 [0,0,0,0,0,0|2,0,0]=2 500 B15R0.366 CCNC(=O)CCOCCOCCOCC 7a_100000210240_100000737597 [0,0,0,0,0,0|3,0,0]=3 501 B15R0.366 CCNC(=O)CCSCCCCCCC#N 62a_100000737597_100009813337 [0,0,0,0,0,0|2,0,1]=3 502 B15R0.366 CCNC(=O)CCSCCCCCCC#N 62a_100009813337_100000737597 [0,0,0,0,0,0|2,0,1]=3 503 B15R0.366 CCNC(=O)CCSCCCCCCCO 62a_100000737597_100000760002 [0,0,0,0,0,0|2,0,0]=2 504 B15R0.366 CCNC(=O)CCSCCCCCCCO 62a_100000760002_100000737597 [0,0,0,0,0,0|2,0,0]=2 505 B15R0.366 CCNC(=O)CCSCCCCCCOC 62a_100000737597_100011998445 [0,0,0,0,0,0|2,0,0]=2 506 B15R0.366 CCNC(=O)CCSCCCCCCOC 62a_100011998445_100000737597 [0,0,0,0,0,0|2,0,0]=2 507 B15R0.366 CCNC(=O)CCSCCCOCCOC 62a_100000737597_100011216529 [0,0,0,0,0,0|3,0,0]=3 508 B15R0.366 CCNC(=O)CCSCCCOCCOC 62a_100011216529_100000737597 [0,0,0,0,0,0|3,0,0]=3 509 B15R0.366 CCNC(=O)CCSCCOCCOCC 62a_100000737597_100011211534 [0,0,0,0,0,0|3,0,0]=3 510 B15R0.366 CCNC(=O)CCSCCOCCOCC 62a_100011211534_100000737597 [0,0,0,0,0,0|3,0,0]=3 511 B15R0.366 CCNC(=O)CNCCCCCCCCO 2230a_100016988866_100000033203 [0,0,0,0,0,0|2,0,0]=2 512 B15R0.366 CCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183381 [0,0,0,0,0,0|2,0,0]=2 513 B15R0.366 CCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183381 [0,0,0,0,0,0|2,0,0]=2 514 B15R0.366 CCNC(=O)CNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000183381 [0,0,0,0,0,0|4,0,0]=4 515 B15R0.366 CCNC(=O)CNCCOCCOCCO 2230a_100011998139_100000183381 [0,0,0,0,0,0|4,0,0]=4 516 B15R0.366 CCNC(=O)CNCCOCCOCCO 2230a_100016988866_100000032323 [0,0,0,0,0,0|4,0,0]=4 517 B15R0.366 CCNC(=O)CNCCOCCOCCO 34a_100011998139_100000183381 [0,0,0,0,0,0|4,0,0]=4 518 B15R0.366 CCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183381 [0,0,0,0,0,0|2,0,0]=2 519 B15R0.366 CCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183381 [0,0,0,0,0,0|2,0,0]=2 520 B15R0.366 CCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183381 [0,0,0,0,0,0|2,0,0]=2 521 B15R0.366 CCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183381 [0,0,0,0,0,0|2,0,0]=2 522 B15R0.366 CCNC(=O)COCCCCCCCCN 34a_102515433106_100000183381 [0,0,0,0,0,0|2,0,0]=2 523 B15R0.366 CCNC(=O)COCCCCCNCCN 34a_103619048469_100000183381 [0,0,0,0,0,0|3,0,0]=3 524 B15R0.366 CCNC(=O)COCCCOCCCOC 34a_200011215475_100000183381 [0,0,0,0,0,0|3,0,0]=3 525 B15R0.366 CCNC(=O)COCCCOCCCOC 7a_200011215475_100000183381 [0,0,0,0,0,0|3,0,0]=3 526 B15R0.366 CCNC(=O)COCCOCCOCCBr 34a_100010132937_100000183381 [0,0,0,0,0,0|4,0,0]=4 527 B15R0.366 CCNC(=O)COCCOCCOCCBr 7a_100010132937_100000183381 [0,0,0,0,0,0|4,0,0]=4 528 B15R0.366 CCNC(=O)COCCOCCOCCCl 34a_100000032323_100000183381 [0,0,0,0,0,0|4,0,0]=4 529 B15R0.366 CCNC(=O)COCCOCCOCCCl 7a_100000032323_100000183381 [0,0,0,0,0,0|4,0,0]=4 530 B15R0.366 CCNC(=O)COCCOCCOCCN 34a_100011998139_100000183381 [0,0,0,0,0,0|4,0,0]=4 531 B15R0.366 CCNC(=O)COCCOCCOCCO 240690a_100015525214_100010423381 [0,0,0,0,0,0|4,0,0]=4 532 B15R0.366 CCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183381 [0,0,0,0,0,0|2,0,0]=2 533 B15R0.366 CCNC(=O)CSCCCCCCCCO 62a_100000183381_100000033203 [0,0,0,0,0,0|2,0,0]=2 534 B15R0.366 CCNC(=O)CSCCOCCOCCO 62a_100000032323_100000183381 [0,0,0,0,0,0|4,0,0]=4 535 B15R0.366 CCNC(=O)CSCCOCCOCCO 62a_100000183381_100000032323 [0,0,0,0,0,0|4,0,0]=4 536 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100015525214 [0,0,0,0,0,0|2,0,0]=2 537 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100015525214_100000078944 [0,0,0,0,0,0|2,0,0]=2 538 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100015525214 [0,0,0,0,0,0|2,0,0]=2 539 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100015525214_100000078944 [0,0,0,0,0,0|2,0,0]=2 540 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100000078944_100015525214 [0,0,0,0,0,0|2,0,0]=2 541 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100015525214_100000078944 [0,0,0,0,0,0|2,0,0]=2 542 B15R0.366 CCNC(=O)NCCCOCCOCCO 2708a_100011996194_100015525214 [0,0,0,0,0,0|4,0,0]=4 543 B15R0.366 CCNC(=O)NCCCOCCOCCO 2708a_100015525214_100011996194 [0,0,0,0,0,0|4,0,0]=4 544 B15R0.366 CCNC(=O)NCCCOCCOCCO 273464a_100011996194_100015525214 [0,0,0,0,0,0|4,0,0]=4 545 B15R0.366 CCNC(=O)NCCCOCCOCCO 273464a_100015525214_100011996194 [0,0,0,0,0,0|4,0,0]=4 546 B15R0.366 CCNC(=O)NCCOCCOCCOC 2708a_100012028300_100015525214 [0,0,0,0,0,0|4,0,0]=4 547 B15R0.366 CCNC(=O)NCCOCCOCCOC 2708a_100015525214_100012028300 [0,0,0,0,0,0|4,0,0]=4 548 B15R0.366 CCNC(=O)NCCOCCOCCOC 273464a_100012028300_100015525214 [0,0,0,0,0,0|4,0,0]=4 549 B15R0.366 CCNC(=O)NCCOCCOCCOC 273464a_100015525214_100012028300 [0,0,0,0,0,0|4,0,0]=4 550 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,0,0,0,0,0|2,0,0]=2 551 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,0,0,0,0,0|2,0,0]=2 552 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,0,0,0,0,0|2,0,0]=2 553 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,0,0,0,0,0|2,0,0]=2 554 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,0,0,0,0,0|2,0,0]=2 555 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,0,0,0,0,0|2,0,0]=2 556 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,0,0,0,0,0|2,0,0]=2 557 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,0,0,0,0,0|2,0,0]=2 558 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,0,0,0,0,0|3,0,0]=3 559 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,0,0,0,0,0|3,0,0]=3 560 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,0,0,0,0,0|3,0,0]=3 561 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,0,0,0,0,0|3,0,0]=3 562 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,0,0,0,0,0|3,0,0]=3 563 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,0,0,0,0,0|3,0,0]=3 564 B15R0.366 CCOC(=O)CCCCCCCSCC#N 62a_100011215382_100009991516 [0,0,0,0,0,0|3,0,1]=4 565 B15R0.366 CCOC(=O)CCCCCCCSCC=O 62a_200015260668_100009991516 [0,0,0,0,0,0|3,0,1]=4 566 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,0,0,0,0,0|3,0,0]=3 567 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,0,0,0,0,0|3,0,0]=3 568 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,0,0,0,0,0|3,0,0]=3 569 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,0,0,0,0,0|3,0,0]=3 570 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,0,0,0,0,0|3,0,0]=3 571 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,0,0,0,0,0|3,0,0]=3 572 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,0,0,0,0,0|3,0,0]=3 573 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,0,0,0,0,0|3,0,0]=3 574 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,0,0,0,0,0|3,0,0]=3 575 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,0,0,0,0,0|3,0,0]=3 576 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,0,0,0,0,0|3,0,0]=3 577 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,0,0,0,0,0|3,0,0]=3 578 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,0,0,0,0,0|3,0,0]=3 579 B15R0.366 CCOC(=O)CCCCCCOCCON 34a_100000700252_100009814379 [0,0,0,0,0,0|4,0,0]=4 580 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,0,0,0,0,0|3,0,0]=3 581 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,0,0,0,0,0|3,0,0]=3 582 B15R0.366 CCOC(=O)CCCCCCSCCC#N 62a_100011215226_100009814379 [0,0,0,0,0,0|3,0,1]=4 583 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,0,0,0,0,0|3,0,0]=3 584 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,0,0,0,0,0|3,0,0]=3 585 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,0,0,0,0,0|3,0,0]=3 586 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,0,0,0,0,0|3,0,0]=3 587 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,0,0,0,0,0|3,0,0]=3 588 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,0,0,0,0,0|3,0,0]=3 589 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,0,0,0,0,0|3,0,0]=3 590 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,0,0,0,0,0|3,0,0]=3 591 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [0,0,0,0,0,0|3,0,0]=3 592 B15R0.366 CCOC(=O)CCCCCOCCCC#N 7a_100011214988_100000687738 [0,0,0,0,0,0|3,0,1]=4 593 B15R0.366 CCOC(=O)CCCCCOCCCC=O 7a_100011214988_200011292268 [0,0,0,0,0,0|3,0,1]=4 594 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,0,0,0,0,0|3,0,0]=3 595 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,0,0,0,0,0|3,0,0]=3 596 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,0,0,0,0,0|3,0,0]=3 597 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,0,0,0,0,0|3,0,0]=3 598 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,0,0,0,0,0|3,0,0]=3 599 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,0,0,0,0,0|3,0,0]=3 600 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,0,0,0,0,0|3,0,0]=3 601 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,0,0,0,0,0|3,0,0]=3 602 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,0,0,0,0,0|3,0,0]=3 603 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,0,0,0,0,0|3,0,0]=3 604 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,0,0,0,0,0|3,0,0]=3 605 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,0,0,0,0,0|3,0,0]=3 606 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,0,0,0,0,0|3,0,0]=3 607 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,0,0,0,0,0|3,0,0]=3 608 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [0,0,0,0,0,0|3,0,0]=3 609 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [0,0,0,0,0,0|3,0,0]=3 610 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [0,0,0,0,0,0|3,0,0]=3 611 B15R0.366 CCOC(=O)CCCCCSCCCC#N 62a_100000687738_100000755133 [0,0,0,0,0,0|3,0,1]=4 612 B15R0.366 CCOC(=O)CCCCCSCCCC#N 62a_100000755133_100000687738 [0,0,0,0,0,0|3,0,1]=4 613 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_100000755133_200011292268 [0,0,0,0,0,0|3,0,1]=4 614 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_200011292268_100000755133 [0,0,0,0,0,0|3,0,1]=4 615 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,0,0,0,0,0|3,0,0]=3 616 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,0,0,0,0,0|3,0,0]=3 617 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,0,0,0,0,0|3,0,0]=3 618 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,0,0,0,0,0|3,0,0]=3 619 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,0,0,0,0,0|3,0,0]=3 620 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,0,0,0,0,0|3,0,0]=3 621 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [0,0,0,0,0,0|3,0,0]=3 622 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [0,0,0,0,0,0|3,0,0]=3 623 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,0,0,0,0,0|3,0,0]=3 624 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,0,0,0,0,0|3,0,0]=3 625 B15R0.366 CCOC(=O)CCCCNCCOCCO 2230a_100000211614_100000750268 [0,0,0,0,0,0|4,0,0]=4 626 B15R0.366 CCOC(=O)CCCCNCCOCCO 34a_100000211614_100000750268 [0,0,0,0,0,0|4,0,0]=4 627 B15R0.366 CCOC(=O)CCCCNCCSCCO 2230a_100011219999_100000750268 [0,0,0,0,0,0|4,0,0]=4 628 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,0,0,0,0,0|3,0,0]=3 629 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,0,0,0,0,0|3,0,0]=3 630 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,0,0,0,0,0|3,0,0]=3 631 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,0,0,0,0,0|3,0,0]=3 632 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,0,0,0,0,0|3,0,0]=3 633 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,0,0,0,0,0|3,0,0]=3 634 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,0,0,0,0,0|3,0,0]=3 635 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,0,0,0,0,0|3,0,0]=3 636 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,0,0,0,0,0|3,0,0]=3 637 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,0,0,0,0,0|3,0,0]=3 638 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [0,0,0,0,0,0|3,0,0]=3 639 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [0,0,0,0,0,0|3,0,0]=3 640 B15R0.366 CCOC(=O)CCCCOCCOCCBr 34a_100000692535_100000750268 [0,0,0,0,0,0|4,0,0]=4 641 B15R0.366 CCOC(=O)CCCCOCCOCCBr 7a_100000692535_100000750268 [0,0,0,0,0,0|4,0,0]=4 642 B15R0.366 CCOC(=O)CCCCOCCOCCCl 34a_100011215305_100000750268 [0,0,0,0,0,0|4,0,0]=4 643 B15R0.366 CCOC(=O)CCCCOCCOCCCl 7a_100011215305_100000750268 [0,0,0,0,0,0|4,0,0]=4 644 B15R0.366 CCOC(=O)CCCCOCCOCCF 34a_200015357709_100000750268 [0,0,0,0,0,0|4,0,0]=4 645 B15R0.366 CCOC(=O)CCCCOCCOCCF 7a_200015357709_100000750268 [0,0,0,0,0,0|4,0,0]=4 646 B15R0.366 CCOC(=O)CCCCOCCOCCI 34a_100012149058_100000750268 [0,0,0,0,0,0|4,0,0]=4 647 B15R0.366 CCOC(=O)CCCCOCCOCCI 7a_100012149058_100000750268 [0,0,0,0,0,0|4,0,0]=4 648 B15R0.366 CCOC(=O)CCCCOCCOCCN 34a_100000211614_100000750268 [0,0,0,0,0,0|4,0,0]=4 649 B15R0.366 CCOC(=O)CCCCSCCCCC#N 62a_100000750268_100000211819 [0,0,0,0,0,0|3,0,1]=4 650 B15R0.366 CCOC(=O)CCCCSCCCCC#N 62a_100011219923_100000750268 [0,0,0,0,0,0|3,0,1]=4 651 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000139335_100000750268 [0,0,0,0,0,0|3,0,1]=4 652 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000750268_100000139335 [0,0,0,0,0,0|3,0,1]=4 653 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,0,0,0,0,0|3,0,0]=3 654 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,0,0,0,0,0|3,0,0]=3 655 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,0,0,0,0,0|3,0,0]=3 656 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,0,0,0,0,0|3,0,0]=3 657 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,0,0,0,0,0|3,0,0]=3 658 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,0,0,0,0,0|3,0,0]=3 659 B15R0.366 CCOC(=O)CCCCSCCOCCO 62a_100000750268_100011215305 [0,0,0,0,0,0|4,0,0]=4 660 B15R0.366 CCOC(=O)CCCCSCCOCCO 62a_100011215305_100000750268 [0,0,0,0,0,0|4,0,0]=4 661 B15R0.366 CCOC(=O)CCCCSCOCCOC 62a_100000231047_100000750268 [0,0,0,0,0,0|4,0,0]=4 662 B15R0.366 CCOC(=O)CCCCSCOCCOC 62a_100000750268_100000231047 [0,0,0,0,0,0|4,0,0]=4 663 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,0,0,0,0,0|3,0,0]=3 664 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,0,0,0,0,0|3,0,0]=3 665 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,0,0,0,0,0|3,0,0]=3 666 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,0,0,0,0,0|3,0,0]=3 667 B15R0.366 CCOC(=O)CCCNCCOCCOC 2230a_100000745349_100009991533 [0,0,0,0,0,0|4,0,0]=4 668 B15R0.366 CCOC(=O)CCCNCCOCCOC 34a_100000745349_100009991533 [0,0,0,0,0,0|4,0,0]=4 669 B15R0.366 CCOC(=O)CCCOCCCCCC#N 7a_100012001163_100009813376 [0,0,0,0,0,0|3,0,1]=4 670 B15R0.366 CCOC(=O)CCCOCCCCCC=O 7a_100012001163_100000139337 [0,0,0,0,0,0|3,0,1]=4 671 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,0,0,0,0,0|3,0,0]=3 672 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,0,0,0,0,0|3,0,0]=3 673 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,0,0,0,0,0|3,0,0]=3 674 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,0,0,0,0,0|3,0,0]=3 675 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,0,0,0,0,0|3,0,0]=3 676 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,0,0,0,0,0|3,0,0]=3 677 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,0,0,0,0,0|3,0,0]=3 678 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,0,0,0,0,0|3,0,0]=3 679 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,0,0,0,0,0|3,0,0]=3 680 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,0,0,0,0,0|3,0,0]=3 681 B15R0.366 CCOC(=O)CCCOCCOCCNC 34a_100000228057_100009991533 [0,0,0,0,0,0|4,0,0]=4 682 B15R0.366 CCOC(=O)CCCOCCOCCOC 34a_100011215163_100009991533 [0,0,0,0,0,0|4,0,0]=4 683 B15R0.366 CCOC(=O)CCCOCCOCCOC 7a_100011215163_100011215271 [0,0,0,0,0,0|4,0,0]=4 684 B15R0.366 CCOC(=O)CCCOCCOCCOC 7a_100012001163_100000695917 [0,0,0,0,0,0|4,0,0]=4 685 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009813376_100009991533 [0,0,0,0,0,0|3,0,1]=4 686 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009991533_100009813376 [0,0,0,0,0,0|3,0,1]=4 687 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100000139337_100009991533 [0,0,0,0,0,0|3,0,1]=4 688 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100009991533_100000139337 [0,0,0,0,0,0|3,0,1]=4 689 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,0,0,0,0,0|3,0,0]=3 690 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,0,0,0,0,0|3,0,0]=3 691 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,0,0,0,0,0|3,0,0]=3 692 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,0,0,0,0,0|3,0,0]=3 693 B15R0.366 CCOC(=O)CCCSCCOCCOC 62a_100000695917_100009991533 [0,0,0,0,0,0|4,0,0]=4 694 B15R0.366 CCOC(=O)CCCSCCOCCOC 62a_100009991533_100000695917 [0,0,0,0,0,0|4,0,0]=4 695 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,0,0,0,0,0|3,0,0]=3 696 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,0,0,0,0,0|3,0,0]=3 697 B15R0.366 CCOC(=O)CCNCCCOCCCO 2230a_100011310245_100011206558 [0,0,0,0,0,0|4,0,0]=4 698 B15R0.366 CCOC(=O)CCNCCCOCCCO 34a_100011310245_100000765890 [0,0,0,0,0,0|4,0,0]=4 699 B15R0.366 CCOC(=O)CCNCCCOCCOC 2230a_100000206027_100011206558 [0,0,0,0,0,0|4,0,0]=4 700 B15R0.366 CCOC(=O)CCNCCCOCCOC 34a_100000206027_100000765890 [0,0,0,0,0,0|4,0,0]=4 701 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,0,0,0,0,0|3,0,0]=3 702 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,0,0,0,0,0|3,0,0]=3 703 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,0,0,0,0,0|3,0,0]=3 704 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,0,0,0,0,0|3,0,0]=3 705 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,0,0,0,0,0|3,0,0]=3 706 B15R0.366 CCOC(=O)CCOCCCOCCCN 34a_100011310245_100000765890 [0,0,0,0,0,0|4,0,0]=4 707 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100000765890_100009813337 [0,0,0,0,0,0|3,0,1]=4 708 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100009813337_100000765890 [0,0,0,0,0,0|3,0,1]=4 709 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,0,0,0,0,0|3,0,0]=3 710 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,0,0,0,0,0|3,0,0]=3 711 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,0,0,0,0,0|3,0,0]=3 712 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,0,0,0,0,0|3,0,0]=3 713 B15R0.366 CCOC(=O)CCSCCCOCCOC 62a_100000765890_100011216529 [0,0,0,0,0,0|4,0,0]=4 714 B15R0.366 CCOC(=O)CCSCCCOCCOC 62a_100011216529_100000765890 [0,0,0,0,0,0|4,0,0]=4 715 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,0,0,0,0,0|3,0,0]=3 716 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,0,0,0,0,0|3,0,0]=3 717 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,0,0,0,0,0|3,0,0]=3 718 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,0,0,0,0,0|3,0,0]=3 719 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,0,0,0,0,0|3,0,0]=3 720 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,0,0,0,0,0|3,0,0]=3 721 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,0,0,0,0,0|3,0,0]=3 722 B15R0.366 CCOC(=O)COCCCCCNCCN 34a_103619048469_100000188475 [0,0,0,0,0,0|4,0,0]=4 723 B15R0.366 CCOC(=O)COCCCNCCCCO 2230a_100000750430_100009893628 [0,0,0,0,0,0|4,0,0]=4 724 B15R0.366 CCOC(=O)COCCCNCCCCO 34a_100000750430_100009893628 [0,0,0,0,0,0|4,0,0]=4 725 B15R0.366 CCOC(=O)COCCCNCCCOC 34a_100150723488_100009893628 [0,0,0,0,0,0|4,0,0]=4 726 B15R0.366 CCOC(=O)COCCCNCCCSC 2230a_100000749238_100009893628 [0,0,0,0,0,0|4,0,0]=4 727 B15R0.366 CCOC(=O)COCCCNCCSCC 2230a_100000106463_100009893628 [0,0,0,0,0,0|4,0,0]=4 728 B15R0.366 CCOC(=O)COCCCOCCCCBr 34a_100011216708_100009893628 [0,0,0,0,0,0|4,0,0]=4 729 B15R0.366 CCOC(=O)COCCCOCCCCCl 34a_100000210776_100009893628 [0,0,0,0,0,0|4,0,0]=4 730 B15R0.366 CCOC(=O)COCCCOCCCCCl 7a_100000210776_100009893628 [0,0,0,0,0,0|4,0,0]=4 731 B15R0.366 CCOC(=O)COCCCOCCCCF 34a_100011995726_100009893628 [0,0,0,0,0,0|4,0,0]=4 732 B15R0.366 CCOC(=O)COCCCOCCCCF 7a_100011995726_100009893628 [0,0,0,0,0,0|4,0,0]=4 733 B15R0.366 CCOC(=O)COCCCOCCCCI 34a_200012148704_100009893628 [0,0,0,0,0,0|4,0,0]=4 734 B15R0.366 CCOC(=O)COCCCOCCCCN 34a_100000750430_100009893628 [0,0,0,0,0,0|4,0,0]=4 735 B15R0.366 CCOC(=O)COCCCOCCCNC 34a_100000213112_100009893628 [0,0,0,0,0,0|4,0,0]=4 736 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_100000740835_100009893628 [0,0,0,0,0,0|4,0,0]=4 737 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_200011215475_100000188475 [0,0,0,0,0,0|4,0,0]=4 738 B15R0.366 CCOC(=O)COCCCOCCCOC 7a_200011215475_100000188475 [0,0,0,0,0,0|4,0,0]=4 739 B15R0.366 CCOC(=O)COCCCOCCCSC 34a_100000690336_100009893628 [0,0,0,0,0,0|4,0,0]=4 740 B15R0.366 CCOC(=O)COCCCOCCCSC 7a_100000690336_100009893628 [0,0,0,0,0,0|4,0,0]=4 741 B15R0.366 CCOC(=O)COCCCOCCSCC 34a_100000212035_100009893628 [0,0,0,0,0,0|4,0,0]=4 742 B15R0.366 CCOC(=O)COCCCOCCSCC 7a_100000212035_100009893628 [0,0,0,0,0,0|4,0,0]=4 743 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100000729493_100009893628 [0,0,0,0,0,0|4,0,0]=4 744 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100009893628_100000729493 [0,0,0,0,0,0|4,0,0]=4 745 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100000210776_100009893628 [0,0,0,0,0,0|4,0,0]=4 746 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100009893628_100000210776 [0,0,0,0,0,0|4,0,0]=4 747 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100000709357_100009893628 [0,0,0,0,0,0|4,0,0]=4 748 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100009893628_100000709357 [0,0,0,0,0,0|4,0,0]=4 749 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100000757381_100009893628 [0,0,0,0,0,0|4,0,0]=4 750 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100009893628_100000757381 [0,0,0,0,0,0|4,0,0]=4 751 B15R0.366 CCOC(=O)COCCNCCCCCO 2230a_100000762737_100000088970 [0,0,0,0,0,0|4,0,0]=4 752 B15R0.366 CCOC(=O)COCCNCCCCCO 34a_100000762737_100000088970 [0,0,0,0,0,0|4,0,0]=4 753 B15R0.366 CCOC(=O)COCCOCCCCCBr 34a_100000746331_100000088970 [0,0,0,0,0,0|4,0,0]=4 754 B15R0.366 CCOC(=O)COCCOCCCCCBr 7a_100000746331_100000088970 [0,0,0,0,0,0|4,0,0]=4 755 B15R0.366 CCOC(=O)COCCOCCCCCCl 34a_100000746330_100000088970 [0,0,0,0,0,0|4,0,0]=4 756 B15R0.366 CCOC(=O)COCCOCCCCCCl 7a_100000746330_100000088970 [0,0,0,0,0,0|4,0,0]=4 757 B15R0.366 CCOC(=O)COCCOCCCCCI 34a_200012148887_100000088970 [0,0,0,0,0,0|4,0,0]=4 758 B15R0.366 CCOC(=O)COCCOCCCCCI 7a_200012148887_100000088970 [0,0,0,0,0,0|4,0,0]=4 759 B15R0.366 CCOC(=O)COCCOCCCCCN 34a_100000762737_100000088970 [0,0,0,0,0,0|4,0,0]=4 760 B15R0.366 CCOC(=O)COCCOCCCCOC 34a_100000740925_100000088970 [0,0,0,0,0,0|4,0,0]=4 761 B15R0.366 CCOC(=O)COCCOCCCCSC 34a_100011217163_100000088970 [0,0,0,0,0,0|4,0,0]=4 762 B15R0.366 CCOC(=O)COCCOCCCCSC 7a_100011217163_100000088970 [0,0,0,0,0,0|4,0,0]=4 763 B15R0.366 CCOC(=O)COCCOCCCSCC 34a_100011216438_100000088970 [0,0,0,0,0,0|4,0,0]=4 764 B15R0.366 CCOC(=O)COCCOCCCSCC 7a_100011216438_100000088970 [0,0,0,0,0,0|4,0,0]=4 765 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000088970_100000729378 [0,0,0,0,0,0|4,0,0]=4 766 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000729378_100000088970 [0,0,0,0,0,0|4,0,0]=4 767 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000088970_100000746330 [0,0,0,0,0,0|4,0,0]=4 768 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000746330_100000088970 [0,0,0,0,0,0|4,0,0]=4 769 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000088970_100000730899 [0,0,0,0,0,0|4,0,0]=4 770 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000730899_100000088970 [0,0,0,0,0,0|4,0,0]=4 771 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,0,0,0,0,0|3,0,0]=3 772 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,0,0,0,0,0|3,0,0]=3 773 B15R0.366 CCOC(=O)CSCCOCCCCCF 7a_200000230590_100000729378 [0,0,0,0,0,0|4,0,0]=4 774 B15R0.366 CCOC(=O)CSCCOCCCCCO 7a_200000230590_100000746330 [0,0,0,0,0,0|4,0,0]=4 775 B15R0.366 CCOC(=O)CSCCOCCCCOC 7a_200000230590_100000730899 [0,0,0,0,0,0|4,0,0]=4 776 B15R0.366 CCOC(=O)NCCOCCCCCCBr 7a_100011215345_200011445536 [0,0,0,0,0,0|4,0,0]=4 777 B15R0.366 CCOC(=O)NCCOCCCCCCCl 7a_100000766143_200011445536 [0,0,0,0,0,0|4,0,0]=4 778 B15R0.366 CCOC(=O)NCCOCCCCCCF 34a_100000158857_100015922095 [0,0,0,0,0,0|4,0,0]=4 779 B15R0.366 CCOC(=O)NCCOCCCCCCF 7a_100000732779_200011445536 [0,0,0,0,0,0|4,0,0]=4 780 B15R0.366 CCOC(=O)NCCOCCCCCCO 34a_100000158857_100000766143 [0,0,0,0,0,0|4,0,0]=4 781 B15R0.366 CCOC(=O)NCCSCCCCCCF 62a_100015922095_200011445536 [0,0,0,0,0,0|4,0,0]=4 782 B15R0.366 CCOC(=O)NCCSCCCCCCO 62a_100000766143_200011445536 [0,0,0,0,0,0|4,0,0]=4 783 B15R0.366 CCOC(=O)OCSCCCCCCCO 62a_100000760002_100000075025 [0,0,0,0,0,0|4,0,0]=4 784 B15R0.366 CCOC(=O)OCSCCCCCCOC 62a_100011998445_100000075025 [0,0,0,0,0,0|4,0,0]=4 785 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,0,0,0,0,0|2,0,0]=2 786 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [0,0,0,0,0,0|3,0,0]=3 787 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [0,0,0,0,0,0|3,0,0]=3 788 B15R0.366 CCOCCCNCCOCC(=O)OCC 2230a_100000210961_100000088970 [0,0,0,0,0,0|4,0,0]=4 789 B15R0.366 CCOCCCNCCOCC(=O)OCC 34a_100000210961_100000088970 [0,0,0,0,0,0|4,0,0]=4 790 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [0,0,0,0,0,0|3,0,0]=3 791 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [0,0,0,0,0,0|3,0,0]=3 792 B15R0.366 CCOCCCOCCOCC(=O)OCC 34a_100000757476_100000088970 [0,0,0,0,0,0|4,0,0]=4 793 B15R0.366 CCOCCCOCCOCC(=O)OCC 7a_100000757476_100000088970 [0,0,0,0,0,0|4,0,0]=4 794 B15R0.366 CCOCCCOCCSCC(=O)OCC 7a_200000230590_100012232248 [0,0,0,0,0,0|4,0,0]=4 795 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [0,0,0,0,0,0|3,0,0]=3 796 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [0,0,0,0,0,0|3,0,0]=3 797 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100000088970_100012232248 [0,0,0,0,0,0|4,0,0]=4 798 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100012232248_100000088970 [0,0,0,0,0,0|4,0,0]=4 799 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [0,0,0,0,0,0|3,0,0]=3 800 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [0,0,0,0,0,0|3,0,0]=3 801 B15R0.366 CCOCCNCCCOCC(=O)OCC 2230a_102516460346_100009893628 [0,0,0,0,0,0|4,0,0]=4 802 B15R0.366 CCOCCNCCCOCC(=O)OCC 34a_102516460346_100009893628 [0,0,0,0,0,0|4,0,0]=4 803 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [0,0,0,0,0,0|3,0,0]=3 804 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [0,0,0,0,0,0|3,0,0]=3 805 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [0,0,0,0,0,0|3,0,0]=3 806 B15R0.366 CCOCCOCCCOCC(=O)OCC 34a_100000210136_100009893628 [0,0,0,0,0,0|4,0,0]=4 807 B15R0.366 CCOCCOCCCOCC(=O)OCC 7a_100000210136_100009893628 [0,0,0,0,0,0|4,0,0]=4 808 B15R0.366 CCOCCOCCNCCC(=O)OCC 2230a_100102712874_100011206558 [0,0,0,0,0,0|4,0,0]=4 809 B15R0.366 CCOCCOCCNCCC(=O)OCC 34a_100102712874_100000765890 [0,0,0,0,0,0|4,0,0]=4 810 B15R0.366 CCOCCOCCOCCC(=O)OCC 34a_100000210240_100000765890 [0,0,0,0,0,0|4,0,0]=4 811 B15R0.366 CCOCCOCCOCCC(=O)OCC 34a_100010737887_100000210202 [0,0,0,0,0,0|4,0,0]=4 812 B15R0.366 CCOCCOCCOCCC(=O)OCC 7a_100000210240_100011206558 [0,0,0,0,0,0|4,0,0]=4 813 B15R0.366 CCOCCOCCOCCC(=O)OCC 7a_100010737887_100000210202 [0,0,0,0,0,0|4,0,0]=4 814 B15R0.366 CCOCCOCCSCCC(=O)OCC 62a_100000765890_100011211534 [0,0,0,0,0,0|4,0,0]=4 815 B15R0.366 CCOCCOCCSCCC(=O)OCC 62a_100011211534_100000765890 [0,0,0,0,0,0|4,0,0]=4 816 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [0,0,0,0,0,0|3,0,0]=3 817 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [0,0,0,0,0,0|3,0,0]=3 818 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100000210147_100009893628 [0,0,0,0,0,0|4,0,0]=4 819 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100009893628_100011215890 [0,0,0,0,0,0|4,0,0]=4 820 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [0,0,0,0,0,0|3,0,0]=3 821 B15R0.366 CNNC(=O)CCCCCCCCCCO 22a_100016993582_200000016029 [0,0,0,0,0,0|2,0,0]=2 822 B15R0.366 CNNC(=O)NCCCCCCCCCO 273464a_100000078944_100016993582 [0,0,0,0,0,0|3,0,0]=3 823 B15R0.366 CNNC(=O)NCCCCCCCCCO 512a_100000078944_100016993582 [0,0,0,0,0,0|3,0,0]=3 824 B15R0.366 CNNC(=O)NCCCCCCCCCO 512a_100016993582_100000078944 [0,0,0,0,0,0|3,0,0]=3 825 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,0,0,0,0,0|3,0,0]=3 826 B15R0.366 COCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210968 [0,0,0,0,0,0|4,0,0]=4 827 B15R0.366 COCCCOCCCOCC(=O)NCO 34a_200011215475_100000185155 [0,0,0,0,0,0|4,0,0]=4 828 B15R0.366 COCCCOCCCOCC(=O)NCO 7a_200011215475_100000185155 [0,0,0,0,0,0|4,0,0]=4 829 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [0,0,0,0,0,0|3,0,0]=3 830 B15R0.366 CSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000184570 [0,0,0,0,0,0|4,0,0]=4 831 B15R0.366 N#CCC(=O)CCCCCCCCCCO 1458a_100051588842_100009813290 [0,0,0,0,0,0|3,0,1]=4 832 B15R0.366 NCCCCCCCCOCC(=O)NCO 34a_102515433106_100000185155 [0,0,0,0,0,0|3,0,0]=3 833 B15R0.366 NCCNCCCCCOCC(=O)NCO 34a_103619048469_100000185155 [0,0,0,0,0,0|4,0,0]=4 834 B15R0.366 O=C(C=CBr)CCCCCCCCCCO 1458a_100016273825_100009813290 [0,0,0,0,0,0|3,0,1]=4 835 B15R0.366 O=C(C=CCl)CCCCCCCCCCO 1458a_200016279998_100009813290 [0,0,0,0,0,0|3,0,1]=4 836 B15R0.366 O=C(C=CI)CCCCCCCCCCO 1458a_100016256311_100009813290 [0,0,0,0,0,0|3,0,1]=4 837 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [0,0,0,0,0,0|3,0,0]=3 838 B15R0.366 O=C(CCO)NCCCCCCCCCO 240690a_100000078944_100011216618 [0,0,0,0,0,0|4,0,0]=4 839 B15R0.366 O=C(CNCCCCCCCCO)NCO 2230a_102515433106_100000185155 [0,0,0,0,0,0|3,0,0]=3 840 B15R0.366 O=C(CNCCCCCCCCO)NCO 34a_102515433106_100000185155 [0,0,0,0,0,0|3,0,0]=3 841 B15R0.366 O=C(COCCCCCCCCBr)NCO 34a_100009813846_100000185155 [0,0,0,0,0,0|3,0,0]=3 842 B15R0.366 O=C(COCCCCCCCCBr)NCO 7a_100009813846_100000185155 [0,0,0,0,0,0|3,0,0]=3 843 B15R0.366 O=C(COCCCCCCCCCl)NCO 34a_100000033203_100000185155 [0,0,0,0,0,0|3,0,0]=3 844 B15R0.366 O=C(COCCCCCCCCCl)NCO 7a_100000033203_100000185155 [0,0,0,0,0,0|3,0,0]=3 845 B15R0.366 O=C(CSCCCCCCCCO)NCO 62a_100000033203_100000185155 [0,0,0,0,0,0|3,0,0]=3 846 B15R0.366 O=C(CSCCCCCCCCO)NCO 62a_100000185155_100000033203 [0,0,0,0,0,0|3,0,0]=3 847 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [1,0,0,0,0,0|0,0,2]=3 848 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [1,0,0,0,0,0|1,0,2]=4 849 B14R0.337 C#CCCCCCCCNCC(=O)NC 2230a_100000693194_100153394163 [1,0,0,0,0,0|1,0,2]=4 850 B14R0.337 C#CCCCCCCCOCC(=O)CC 34a_100000725409_100153394163 [1,0,0,0,0,0|1,0,2]=4 851 B14R0.337 C#CCCCCCCCOCC(=O)CC 7a_100000054614_100000747405 [1,0,0,0,0,0|1,0,2]=4 852 B14R0.337 C#CCCCCCCCOCC(=O)NC 34a_100000054614_100000183359 [1,0,0,0,0,0|1,0,2]=4 853 B14R0.337 C#CCCCCCCCOCC(=O)NC 34a_100000750040_100153394163 [1,0,0,0,0,0|1,0,2]=4 854 B14R0.337 C#CCCCCCCCOCC(=O)NC 7a_100000054614_100000183359 [1,0,0,0,0,0|1,0,2]=4 855 B14R0.337 C#CCCCCCCCSCC(=O)CC 62a_100000747405_100153394163 [1,0,0,0,0,0|1,0,2]=4 856 B14R0.337 C#CCCCCCCCSCC(=O)CC 62a_100153394163_100000747405 [1,0,0,0,0,0|1,0,2]=4 857 B14R0.337 C#CCCCCCCCSCC(=O)NC 62a_100000183359_100153394163 [1,0,0,0,0,0|1,0,2]=4 858 B14R0.337 C#CCCCCCCCSCC(=O)NC 62a_100153394163_100000183359 [1,0,0,0,0,0|1,0,2]=4 859 B14R0.337 C#CCCCCCCNCCC(=O)NC 2230a_100000738227_100012276617 [1,0,0,0,0,0|1,0,2]=4 860 B14R0.337 C#CCCCCCCNCCC(=O)NC 34a_100000738227_100012276617 [1,0,0,0,0,0|1,0,2]=4 861 B14R0.337 C#CCCCCCCOCCC(=O)NC 34a_100000754576_100012276617 [1,0,0,0,0,0|1,0,2]=4 862 B14R0.337 C#CCCCCCCOCCC(=O)NC 34a_100011217361_100012179268 [1,0,0,0,0,0|1,0,2]=4 863 B14R0.337 C#CCCCCCCOCCC(=O)NC 7a_100011217361_100000737683 [1,0,0,0,0,0|1,0,2]=4 864 B14R0.337 C#CCCCCCCSCCC(=O)NC 62a_100000737683_100012276617 [1,0,0,0,0,0|1,0,2]=4 865 B14R0.337 C#CCCCCCCSCCC(=O)NC 62a_100012276617_100000737683 [1,0,0,0,0,0|1,0,2]=4 866 B14R0.337 C#CCCCCCNCCCC(=O)NC 2230a_100000740002_100012094781 [1,0,0,0,0,0|1,0,2]=4 867 B14R0.337 C#CCCCCCNCCCC(=O)NC 34a_100000740002_100012094781 [1,0,0,0,0,0|1,0,2]=4 868 B14R0.337 C#CCCCCCOCCCC(=O)NC 34a_100000766912_100000741757 [1,0,0,0,0,0|1,0,2]=4 869 B14R0.337 C#CCCCCCOCCCC(=O)NC 7a_100000766912_100000741757 [1,0,0,0,0,0|1,0,2]=4 870 B14R0.337 C#CCCCCCSCCCC(=O)NC 62a_100000741757_100012094781 [1,0,0,0,0,0|1,0,2]=4 871 B14R0.337 C#CCCCCCSCCCC(=O)NC 62a_100012094781_100000741757 [1,0,0,0,0,0|1,0,2]=4 872 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [1,0,0,0,0,0|0,0,2]=3 873 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [1,0,0,0,0,0|1,0,2]=4 874 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [1,0,0,0,0,0|1,0,2]=4 875 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [1,0,0,0,0,0|1,0,2]=4 876 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [1,0,0,0,0,0|0,0,2]=3 877 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [1,0,0,0,0,0|1,0,2]=4 878 B14R0.337 C=CCCCCCCCNCC(=O)NC 2230a_100000693194_100012355270 [1,0,0,0,0,0|1,0,2]=4 879 B14R0.337 C=CCCCCCCCOCC(=O)CC 34a_100000725409_100012355270 [1,0,0,0,0,0|1,0,2]=4 880 B14R0.337 C=CCCCCCCCOCC(=O)CC 7a_100000730831_100000747405 [1,0,0,0,0,0|1,0,2]=4 881 B14R0.337 C=CCCCCCCCOCC(=O)NC 34a_100000730831_100000183359 [1,0,0,0,0,0|1,0,2]=4 882 B14R0.337 C=CCCCCCCCOCC(=O)NC 34a_100000750040_100012355270 [1,0,0,0,0,0|1,0,2]=4 883 B14R0.337 C=CCCCCCCCOCC(=O)NC 7a_100000730831_100000183359 [1,0,0,0,0,0|1,0,2]=4 884 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100000747405_100012355270 [1,0,0,0,0,0|1,0,2]=4 885 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100012355270_100000747405 [1,0,0,0,0,0|1,0,2]=4 886 B14R0.337 C=CCCCCCCCSCC(=O)NC 62a_100000183359_100012355270 [1,0,0,0,0,0|1,0,2]=4 887 B14R0.337 C=CCCCCCCCSCC(=O)NC 62a_100012355270_100000183359 [1,0,0,0,0,0|1,0,2]=4 888 B14R0.337 C=CCCCCCCNCCC(=O)NC 2230a_100000738227_100011215473 [1,0,0,0,0,0|1,0,2]=4 889 B14R0.337 C=CCCCCCCNCCC(=O)NC 34a_100000738227_100011215473 [1,0,0,0,0,0|1,0,2]=4 890 B14R0.337 C=CCCCCCCOCCC(=O)NC 34a_100000754576_100011215473 [1,0,0,0,0,0|1,0,2]=4 891 B14R0.337 C=CCCCCCCOCCC(=O)NC 34a_200011216477_100012179268 [1,0,0,0,0,0|1,0,2]=4 892 B14R0.337 C=CCCCCCCOCCC(=O)NC 7a_200011216477_100000737683 [1,0,0,0,0,0|1,0,2]=4 893 B14R0.337 C=CCCCCCCSCCC(=O)NC 62a_100000737683_100011215473 [1,0,0,0,0,0|1,0,2]=4 894 B14R0.337 C=CCCCCCCSCCC(=O)NC 62a_100011215473_100000737683 [1,0,0,0,0,0|1,0,2]=4 895 B14R0.337 C=CCCCCCNCCCC(=O)NC 2230a_100000740002_100000700193 [1,0,0,0,0,0|1,0,2]=4 896 B14R0.337 C=CCCCCCNCCCC(=O)NC 34a_100000740002_100000700193 [1,0,0,0,0,0|1,0,2]=4 897 B14R0.337 C=CCCCCCOCCCC(=O)NC 34a_100011216702_100000741757 [1,0,0,0,0,0|1,0,2]=4 898 B14R0.337 C=CCCCCCOCCCC(=O)NC 7a_100011216702_100000741757 [1,0,0,0,0,0|1,0,2]=4 899 B14R0.337 C=CCCCCCSCCCC(=O)NC 62a_100000700193_100000741757 [1,0,0,0,0,0|1,0,2]=4 900 B14R0.337 C=CCCCCCSCCCC(=O)NC 62a_100000741757_100000700193 [1,0,0,0,0,0|1,0,2]=4 901 B14R0.337 CC/C=C/CCCOCCCC(=O)NC 34a_100016287902_100000741757 [1,0,0,0,0,0|1,0,2]=4 902 B14R0.337 CC/C=C/CCCOCCCC(=O)NC 7a_100016287902_100000741757 [1,0,0,0,0,0|1,0,2]=4 903 B14R0.337 CC/C=C\CCCCCNCC(=O)NC 269862a_100000693194_100016288537 [1,0,0,0,0,0|1,0,2]=4 904 B14R0.337 CC/C=C\CCCCCOCC(=O)CC 7a_100016268722_100000747405 [1,0,0,0,0,0|1,0,2]=4 905 B14R0.337 CC/C=C\CCCCCOCC(=O)NC 34a_100016268722_100000183359 [1,0,0,0,0,0|1,0,2]=4 906 B14R0.337 CC/C=C\CCCCCOCC(=O)NC 7a_100016268722_100000183359 [1,0,0,0,0,0|1,0,2]=4 907 B14R0.337 CC/C=C\CCCCOCCC(=O)NC 34a_100016287862_100012179268 [1,0,0,0,0,0|1,0,2]=4 908 B14R0.337 CC/C=C\CCCCOCCC(=O)NC 7a_100016287862_100000737683 [1,0,0,0,0,0|1,0,2]=4 909 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [1,0,0,0,0,0|1,0,0]=2 910 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [1,0,0,0,0,0|2,0,0]=3 911 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [1,0,0,0,0,0|2,0,0]=3 912 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [1,0,0,0,0,0|2,0,0]=3 913 B14R0.337 CCC(=O)COCCCOCCCOC 7a_200011215475_100000747405 [1,0,0,0,0,0|3,0,0]=4 914 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [1,0,0,0,0,0|2,0,0]=3 915 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [1,0,0,0,0,0|2,0,0]=3 916 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [1,0,0,0,0,0|2,0,0]=3 917 B14R0.337 CCC(=O)NCCNCCCCCCF 34a_100132302217_100015922095 [1,0,0,0,0,0|3,0,0]=4 918 B14R0.337 CCC(=O)NCCNCCCCCCO 34a_100132302217_100000766143 [1,0,0,0,0,0|3,0,0]=4 919 B14R0.337 CCC(=O)NCCOCCCCCCF 34a_200000158885_100015922095 [1,0,0,0,0,0|3,0,0]=4 920 B14R0.337 CCC(=O)NCCOCCCCCCF 7a_200000158885_100015922095 [1,0,0,0,0,0|3,0,0]=4 921 B14R0.337 CCC(=O)NCCOCCCCCCO 34a_200000158885_100000766143 [1,0,0,0,0,0|3,0,0]=4 922 B14R0.337 CCC(=O)NCCOCCCCCCO 7a_200000158885_100000766143 [1,0,0,0,0,0|3,0,0]=4 923 B14R0.337 CCC(=O)OCCOCCCCCCF 7a_200000031056_100015922095 [1,0,0,0,0,0|3,0,0]=4 924 B14R0.337 CCC(=O)OCCOCCCCCCO 7a_200000031056_100000766143 [1,0,0,0,0,0|3,0,0]=4 925 B14R0.337 CCCC#CCCOCCCC(=O)NC 34a_100000042726_100000741757 [1,0,0,0,0,0|1,0,2]=4 926 B14R0.337 CCCC#CCCOCCCC(=O)NC 7a_100000042726_100000741757 [1,0,0,0,0,0|1,0,2]=4 927 B14R0.337 CCCC/C=C/COCCCC(=O)NC 34a_200016272032_100000741757 [1,0,0,0,0,0|1,0,2]=4 928 B14R0.337 CCCC/C=C/COCCCC(=O)NC 7a_200016272032_100000741757 [1,0,0,0,0,0|1,0,2]=4 929 B14R0.337 CCCC/C=C\CCOCCC(=O)NC 34a_200016286491_100012179268 [1,0,0,0,0,0|1,0,2]=4 930 B14R0.337 CCCC/C=C\CCOCCC(=O)NC 7a_200016286491_100000737683 [1,0,0,0,0,0|1,0,2]=4 931 B14R0.337 CCCCC#CCCCNCC(=O)NC 2230a_100000693194_200000047210 [1,0,0,0,0,0|1,0,2]=4 932 B14R0.337 CCCCC#CCCCOCC(=O)CC 34a_100000725409_200000047210 [1,0,0,0,0,0|1,0,2]=4 933 B14R0.337 CCCCC#CCCCOCC(=O)NC 34a_100000750040_200000047210 [1,0,0,0,0,0|1,0,2]=4 934 B14R0.337 CCCCC#CCCCSCC(=O)CC 62a_100000747405_200000047210 [1,0,0,0,0,0|1,0,2]=4 935 B14R0.337 CCCCC#CCCCSCC(=O)CC 62a_200000047210_100000747405 [1,0,0,0,0,0|1,0,2]=4 936 B14R0.337 CCCCC#CCCCSCC(=O)NC 62a_100000183359_200000047210 [1,0,0,0,0,0|1,0,2]=4 937 B14R0.337 CCCCC#CCCCSCC(=O)NC 62a_200000047210_100000183359 [1,0,0,0,0,0|1,0,2]=4 938 B14R0.337 CCCCC#CCCOCCC(=O)NC 34a_100000037610_100012179268 [1,0,0,0,0,0|1,0,2]=4 939 B14R0.337 CCCCC#CCCOCCC(=O)NC 7a_100000037610_100000737683 [1,0,0,0,0,0|1,0,2]=4 940 B14R0.337 CCCCC#CCOCCCC(=O)NC 34a_200000034558_100000741757 [1,0,0,0,0,0|1,0,2]=4 941 B14R0.337 CCCCC#CCOCCCC(=O)NC 7a_200000034558_100000741757 [1,0,0,0,0,0|1,0,2]=4 942 B14R0.337 CCCCC/C=C/COCCC(=O)NC 34a_100016258190_100012179268 [1,0,0,0,0,0|1,0,2]=4 943 B14R0.337 CCCCC/C=C/COCCC(=O)NC 7a_100016258190_100000737683 [1,0,0,0,0,0|1,0,2]=4 944 B14R0.337 CCCCC/C=C\CCOCC(=O)CC 7a_100016277358_100000747405 [1,0,0,0,0,0|1,0,2]=4 945 B14R0.337 CCCCC/C=C\CCOCC(=O)NC 34a_100016277358_100000183359 [1,0,0,0,0,0|1,0,2]=4 946 B14R0.337 CCCCC/C=C\CCOCC(=O)NC 7a_100016277358_100000183359 [1,0,0,0,0,0|1,0,2]=4 947 B14R0.337 CCCCCC#CCCOCC(=O)CC 7a_200000042877_100000747405 [1,0,0,0,0,0|1,0,2]=4 948 B14R0.337 CCCCCC#CCCOCC(=O)NC 34a_200000042877_100000183359 [1,0,0,0,0,0|1,0,2]=4 949 B14R0.337 CCCCCC#CCCOCC(=O)NC 7a_200000042877_100000183359 [1,0,0,0,0,0|1,0,2]=4 950 B14R0.337 CCCCCC#CCNCCC(=O)NC 2230a_100000738227_100009816472 [1,0,0,0,0,0|1,0,2]=4 951 B14R0.337 CCCCCC#CCNCCC(=O)NC 34a_100000738227_100009816472 [1,0,0,0,0,0|1,0,2]=4 952 B14R0.337 CCCCCC#CCOCCC(=O)NC 34a_100000754576_100009816472 [1,0,0,0,0,0|1,0,2]=4 953 B14R0.337 CCCCCC#CCOCCC(=O)NC 34a_200000033628_100012179268 [1,0,0,0,0,0|1,0,2]=4 954 B14R0.337 CCCCCC#CCOCCC(=O)NC 7a_200000033628_100000737683 [1,0,0,0,0,0|1,0,2]=4 955 B14R0.337 CCCCCC#CCSCCC(=O)NC 62a_100000737683_100009816472 [1,0,0,0,0,0|1,0,2]=4 956 B14R0.337 CCCCCC#CCSCCC(=O)NC 62a_100009816472_100000737683 [1,0,0,0,0,0|1,0,2]=4 957 B14R0.337 CCCCCC/C=C/COCC(=O)CC 7a_200016276170_100000747405 [1,0,0,0,0,0|1,0,2]=4 958 B14R0.337 CCCCCC/C=C/COCC(=O)NC 34a_200016276170_100000183359 [1,0,0,0,0,0|1,0,2]=4 959 B14R0.337 CCCCCC/C=C/COCC(=O)NC 7a_200016276170_100000183359 [1,0,0,0,0,0|1,0,2]=4 960 B14R0.337 CCCCCCC#CCOCC(=O)CC 7a_200000037284_100000747405 [1,0,0,0,0,0|1,0,2]=4 961 B14R0.337 CCCCCCC#CCOCC(=O)NC 34a_200000037284_100000183359 [1,0,0,0,0,0|1,0,2]=4 962 B14R0.337 CCCCCCC#CCOCC(=O)NC 7a_200000037284_100000183359 [1,0,0,0,0,0|1,0,2]=4 963 B14R0.337 CCCCCCCCC=NNC(=O)CC 4a_100000183195_100011218696 [1,0,0,0,0,0|2,0,1]=4 964 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [1,0,0,0,0,0|0,0,2]=3 965 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [1,0,0,0,0,0|1,0,2]=4 966 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [1,0,0,0,0,0|0,0,2]=3 967 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [1,0,0,0,0,0|0,0,2]=3 968 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [1,0,0,0,0,0|0,0,2]=3 969 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [1,0,0,0,0,0|0,0,0]=1 970 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [1,0,0,0,0,0|0,0,0]=1 971 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [1,0,0,0,0,0|1,0,0]=2 972 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [1,0,0,0,0,0|1,0,0]=2 973 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [1,0,0,0,0,0|0,0,0]=1 974 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [1,0,0,0,0,0|0,0,0]=1 975 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [1,0,0,0,0,0|0,0,0]=1 976 B14R0.337 CCCCCCCCCCCC(C)NC 270004a_106832991635_100011216755 [1,0,0,0,0,0|1,0,1]=3 977 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [1,0,0,0,0,0|2,0,1]=4 978 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [1,0,0,0,0,0|2,0,1]=4 979 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [1,0,0,0,0,0|2,0,1]=4 980 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [1,0,0,0,0,0|2,0,1]=4 981 B14R0.337 CCCCCCCCCCCN(C)CC 2230a_100000225621_100011215454 [1,0,0,0,0,0|2,0,0]=3 982 B14R0.337 CCCCCCCCCCCN(C)CC 269982a_100000225621_100011215454 [1,0,0,0,0,0|2,0,0]=3 983 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [1,0,0,0,0,0|1,0,0]=2 984 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [1,0,0,0,0,0|1,0,0]=2 985 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [1,0,0,0,0,0|1,0,0]=2 986 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [1,0,0,0,0,0|1,0,0]=2 987 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [1,0,0,0,0,0|2,0,0]=3 988 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [1,0,0,0,0,0|2,0,0]=3 989 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [1,0,0,0,0,0|1,0,0]=2 990 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [1,0,0,0,0,0|1,0,0]=2 991 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [1,0,0,0,0,0|1,0,0]=2 992 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [1,0,0,0,0,0|1,0,0]=2 993 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [1,0,0,0,0,0|1,0,0]=2 994 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [1,0,0,0,0,0|1,0,0]=2 995 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000209981_100000210320 [1,0,0,0,0,0|2,0,1]=4 996 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000684558_100000758301 [1,0,0,0,0,0|2,0,1]=4 997 B14R0.337 CCCCCCCCCCNC(C)CC 34a_100000684558_100011215416 [1,0,0,0,0,0|2,0,1]=4 998 B14R0.337 CCCCCCCCCCOC(C)CC 34a_100000210711_100011215416 [1,0,0,0,0,0|2,0,1]=4 999 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210228_100000210320 [1,0,0,0,0,0|2,0,1]=4 1000 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210711_100000758301 [1,0,0,0,0,0|2,0,1]=4 1001 B14R0.337 CCCCCCCCCCSC(C)CC 62a_100000758301_100000210320 [1,0,0,0,0,0|2,0,1]=4 1002 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [1,0,0,0,0,0|1,0,0]=2 1003 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [1,0,0,0,0,0|1,0,0]=2 1004 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [1,0,0,0,0,0|1,0,0]=2 1005 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [1,0,0,0,0,0|2,0,0]=3 1006 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [1,0,0,0,0,0|2,0,0]=3 1007 B14R0.337 CCCCCCCCCNCC(C)CC 2230a_100000212291_100000748023 [1,0,0,0,0,0|2,0,1]=4 1008 B14R0.337 CCCCCCCCCNCC(C)CC 2230a_100020588543_100011214924 [1,0,0,0,0,0|2,0,1]=4 1009 B14R0.337 CCCCCCCCCNCC(C)CC 270004a_100000212291_100000243153 [1,0,0,0,0,0|2,0,1]=4 1010 B14R0.337 CCCCCCCCCNCC(C)CC 34a_100000212291_100000748023 [1,0,0,0,0,0|2,0,1]=4 1011 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100000212291_100011218378 [1,0,0,0,0,0|1,0,2]=4 1012 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100011218483_100011214924 [1,0,0,0,0,0|1,0,2]=4 1013 B14R0.337 CCCCCCCCCNCC(O)CC 34a_100000212291_100011218378 [1,0,0,0,0,0|1,0,2]=4 1014 B14R0.337 CCCCCCCCCNC[C@@H](C)CC 2230a_100000212291_100009816398 [1,0,0,0,0,0|2,0,1]=4 1015 B14R0.337 CCCCCCCCCNC[C@@H](C)CC 34a_100000212291_100009816398 [1,0,0,0,0,0|2,0,1]=4 1016 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [1,0,0,0,0,0|1,0,0]=2 1017 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [1,0,0,0,0,0|1,0,0]=2 1018 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [1,0,0,0,0,0|1,0,0]=2 1019 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [1,0,0,0,0,0|1,0,0]=2 1020 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [1,0,0,0,0,0|1,0,0]=2 1021 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [1,0,0,0,0,0|2,0,0]=3 1022 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [1,0,0,0,0,0|2,0,0]=3 1023 B14R0.337 CCCCCCCCCOCC(C)CC 34a_100000210712_100000748023 [1,0,0,0,0,0|2,0,1]=4 1024 B14R0.337 CCCCCCCCCOCC(C)CC 7a_100000210712_100000748023 [1,0,0,0,0,0|2,0,1]=4 1025 B14R0.337 CCCCCCCCCOCC(O)CC 34a_100000210712_100011218378 [1,0,0,0,0,0|1,0,2]=4 1026 B14R0.337 CCCCCCCCCOCC(O)CC 7a_100000210712_100011218378 [1,0,0,0,0,0|1,0,2]=4 1027 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 34a_100000210712_100009816398 [1,0,0,0,0,0|2,0,1]=4 1028 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 7a_100000210712_100009816398 [1,0,0,0,0,0|2,0,1]=4 1029 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210328 [1,0,0,0,0,0|2,0,1]=4 1030 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [1,0,0,0,0,0|1,0,0]=2 1031 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [1,0,0,0,0,0|1,0,0]=2 1032 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [1,0,0,0,0,0|2,0,0]=3 1033 B14R0.337 CCCCCCCCCSCC(C)CC 62a_100000748023_100000210670 [1,0,0,0,0,0|2,0,1]=4 1034 B14R0.337 CCCCCCCCCSCC(O)CC 62a_100011218378_100000210670 [1,0,0,0,0,0|1,0,2]=4 1035 B14R0.337 CCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210670 [1,0,0,0,0,0|2,0,1]=4 1036 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [1,0,0,0,0,0|1,0,0]=2 1037 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [1,0,0,0,0,0|1,0,0]=2 1038 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [1,0,0,0,0,0|1,0,0]=2 1039 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [1,0,0,0,0,0|1,0,0]=2 1040 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [1,0,0,0,0,0|2,0,0]=3 1041 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [1,0,0,0,0,0|2,0,0]=3 1042 B14R0.337 CCCCCCCCNCCC(C)CC 2230a_100020591266_100000210759 [1,0,0,0,0,0|2,0,1]=4 1043 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [1,0,0,0,0,0|1,0,0]=2 1044 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [1,0,0,0,0,0|1,0,0]=2 1045 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [1,0,0,0,0,0|1,0,0]=2 1046 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [1,0,0,0,0,0|2,0,0]=3 1047 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [1,0,0,0,0,0|2,0,0]=3 1048 B14R0.337 CCCCCCCCOCCC(C)CC 7a_100011215188_100000210759 [1,0,0,0,0,0|2,0,1]=4 1049 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [1,0,0,0,0,0|1,0,0]=2 1050 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [1,0,0,0,0,0|1,0,0]=2 1051 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [1,0,0,0,0,0|2,0,0]=3 1052 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [1,0,0,0,0,0|2,0,0]=3 1053 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [1,0,0,0,0,0|3,0,0]=4 1054 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [1,0,0,0,0,0|1,0,0]=2 1055 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [1,0,0,0,0,0|1,0,0]=2 1056 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [1,0,0,0,0,0|1,0,0]=2 1057 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [1,0,0,0,0,0|2,0,0]=3 1058 B14R0.337 CCCCCCCNCCCN(C)CC 2230a_100000229938_100015186262 [1,0,0,0,0,0|3,0,0]=4 1059 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [1,0,0,0,0,0|2,0,0]=3 1060 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [1,0,0,0,0,0|2,0,0]=3 1061 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [1,0,0,0,0,0|1,0,0]=2 1062 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [1,0,0,0,0,0|1,0,0]=2 1063 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [1,0,0,0,0,0|2,0,0]=3 1064 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [1,0,0,0,0,0|2,0,0]=3 1065 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [1,0,0,0,0,0|2,0,0]=3 1066 B14R0.337 CCCCCCCOCCCC(C)CC 7a_100011216074_100000210614 [1,0,0,0,0,0|2,0,1]=4 1067 B14R0.337 CCCCCCCOCCCN(C)CC 7a_100000210272_100015186262 [1,0,0,0,0,0|3,0,0]=4 1068 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [1,0,0,0,0,0|2,0,0]=3 1069 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [1,0,0,0,0,0|2,0,0]=3 1070 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [1,0,0,0,0,0|3,0,0]=4 1071 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [1,0,0,0,0,0|2,0,0]=3 1072 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [1,0,0,0,0,0|2,0,0]=3 1073 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [1,0,0,0,0,0|2,0,0]=3 1074 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [1,0,0,0,0,0|3,0,0]=4 1075 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [1,0,0,0,0,0|1,0,0]=2 1076 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [1,0,0,0,0,0|1,0,0]=2 1077 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [1,0,0,0,0,0|2,0,0]=3 1078 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [1,0,0,0,0,0|2,0,0]=3 1079 B14R0.337 CCCCCCCSCCCN(C)CC 62a_100000210614_100015186262 [1,0,0,0,0,0|3,0,0]=4 1080 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [1,0,0,0,0,0|2,0,0]=3 1081 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [1,0,0,0,0,0|2,0,0]=3 1082 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [1,0,0,0,0,0|2,0,0]=3 1083 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [1,0,0,0,0,0|3,0,0]=4 1084 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [1,0,0,0,0,0|2,0,0]=3 1085 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [1,0,0,0,0,0|2,0,0]=3 1086 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [1,0,0,0,0,0|2,0,0]=3 1087 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [1,0,0,0,0,0|2,0,0]=3 1088 B14R0.337 CCCCCCOCCOCC(=O)CC 7a_100000691444_100000747405 [1,0,0,0,0,0|2,0,0]=3 1089 B14R0.337 CCCCCCOCCOCC(=O)NC 34a_100000691444_100000183359 [1,0,0,0,0,0|2,0,0]=3 1090 B14R0.337 CCCCCCOCCOCC(=O)NC 7a_100000691444_100000183359 [1,0,0,0,0,0|2,0,0]=3 1091 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [1,0,0,0,0,0|3,0,0]=4 1092 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [1,0,0,0,0,0|3,0,0]=4 1093 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [1,0,0,0,0,0|3,0,0]=4 1094 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [1,0,0,0,0,0|3,0,0]=4 1095 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [1,0,0,0,0,0|2,0,0]=3 1096 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [1,0,0,0,0,0|2,0,0]=3 1097 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [1,0,0,0,0,0|3,0,0]=4 1098 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [1,0,0,0,0,0|3,0,0]=4 1099 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [1,0,0,0,0,0|2,0,0]=3 1100 B14R0.337 CCCCCNCCOCCC(=O)NC 34a_100000224656_100012179268 [1,0,0,0,0,0|2,0,0]=3 1101 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [1,0,0,0,0,0|3,0,0]=4 1102 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [1,0,0,0,0,0|2,0,0]=3 1103 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [1,0,0,0,0,0|2,0,0]=3 1104 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [1,0,0,0,0,0|2,0,0]=3 1105 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [1,0,0,0,0,0|2,0,0]=3 1106 B14R0.337 CCCCCOCCCCCC(C)CC 7a_200000035636_100000210326 [1,0,0,0,0,0|2,0,1]=4 1107 B14R0.337 CCCCCOCCOCCC(=O)NC 34a_100011215259_100012179268 [1,0,0,0,0,0|2,0,0]=3 1108 B14R0.337 CCCCCOCCOCCC(=O)NC 7a_100011215259_100000737683 [1,0,0,0,0,0|2,0,0]=3 1109 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [1,0,0,0,0,0|3,0,0]=4 1110 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [1,0,0,0,0,0|3,0,0]=4 1111 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [1,0,0,0,0,0|2,0,0]=3 1112 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [1,0,0,0,0,0|2,0,0]=3 1113 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [1,0,0,0,0,0|2,0,0]=3 1114 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [1,0,0,0,0,0|2,0,0]=3 1115 B14R0.337 CCCCNCCCCOCC(=O)NC 34a_200011216965_100000183359 [1,0,0,0,0,0|2,0,0]=3 1116 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [1,0,0,0,0,0|3,0,0]=4 1117 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [1,0,0,0,0,0|2,0,0]=3 1118 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [1,0,0,0,0,0|2,0,0]=3 1119 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [1,0,0,0,0,0|2,0,0]=3 1120 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [1,0,0,0,0,0|2,0,0]=3 1121 B14R0.337 CCCCOCCCCOCC(=O)CC 7a_200000760531_100000747405 [1,0,0,0,0,0|2,0,0]=3 1122 B14R0.337 CCCCOCCCCOCC(=O)NC 34a_200000760531_100000183359 [1,0,0,0,0,0|2,0,0]=3 1123 B14R0.337 CCCCOCCCCOCC(=O)NC 7a_200000760531_100000183359 [1,0,0,0,0,0|2,0,0]=3 1124 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [1,0,0,0,0,0|3,0,0]=4 1125 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [1,0,0,0,0,0|3,0,0]=4 1126 B14R0.337 CCCCOCCCNCCC(=O)NC 2230a_200000211371_100000737683 [1,0,0,0,0,0|2,0,0]=3 1127 B14R0.337 CCCCOCCCNCCC(=O)NC 34a_200000211371_100012179268 [1,0,0,0,0,0|2,0,0]=3 1128 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [1,0,0,0,0,0|3,0,0]=4 1129 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [1,0,0,0,0,0|3,0,0]=4 1130 B14R0.337 CCCCOCCCOCCC(=O)NC 34a_200011215613_100012179268 [1,0,0,0,0,0|2,0,0]=3 1131 B14R0.337 CCCCOCCCOCCC(=O)NC 7a_200011215613_100000737683 [1,0,0,0,0,0|2,0,0]=3 1132 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [1,0,0,0,0,0|3,0,0]=4 1133 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [1,0,0,0,0,0|3,0,0]=4 1134 B14R0.337 CCCCOCCNCCCC(=O)NC 2230a_100000740002_100000743108 [1,0,0,0,0,0|2,0,0]=3 1135 B14R0.337 CCCCOCCNCCCC(=O)NC 34a_100000740002_100000743108 [1,0,0,0,0,0|2,0,0]=3 1136 B14R0.337 CCCCOCCNCCNC(=O)CC 34a_100132302217_100000743108 [1,0,0,0,0,0|3,0,0]=4 1137 B14R0.337 CCCCOCCNCCNC(=O)NC 34a_100015205895_100000743108 [1,0,0,0,0,0|3,0,0]=4 1138 B14R0.337 CCCCOCCOCCCC(=O)NC 34a_100000210238_100000741757 [1,0,0,0,0,0|2,0,0]=3 1139 B14R0.337 CCCCOCCOCCCC(=O)NC 7a_100000210238_100000741757 [1,0,0,0,0,0|2,0,0]=3 1140 B14R0.337 CCCCOCCOCCCC(=O)NN 34a_100000211488_100000743108 [1,0,0,0,0,0|3,0,0]=4 1141 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [1,0,0,0,0,0|3,0,0]=4 1142 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [1,0,0,0,0,0|3,0,0]=4 1143 B14R0.337 CCCCOCCOCCNC(=O)CC 34a_200000158885_100000743108 [1,0,0,0,0,0|3,0,0]=4 1144 B14R0.337 CCCCOCCOCCNC(=O)CC 7a_200000158885_100000743108 [1,0,0,0,0,0|3,0,0]=4 1145 B14R0.337 CCCCOCCOCCOC(=O)CC 7a_200000031056_100000743108 [1,0,0,0,0,0|3,0,0]=4 1146 B14R0.337 CCCCOCCOCCOC(=O)NC 34a_100000210238_200011997002 [1,0,0,0,0,0|3,0,0]=4 1147 B14R0.337 CCCCOCCOCCOC(=O)NC 7a_100000210238_200011997002 [1,0,0,0,0,0|3,0,0]=4 1148 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000741757_100000743108 [1,0,0,0,0,0|2,0,0]=3 1149 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000743108_100000741757 [1,0,0,0,0,0|2,0,0]=3 1150 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [1,0,0,0,0,0|3,0,0]=4 1151 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [1,0,0,0,0,0|3,0,0]=4 1152 B14R0.337 CCCCOCCSCCOC(=O)NC 62a_100000743108_200011997002 [1,0,0,0,0,0|3,0,0]=4 1153 B14R0.337 CCCCOCCSCCOC(=O)NC 62a_200011997002_100000743108 [1,0,0,0,0,0|3,0,0]=4 1154 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [1,0,0,0,0,0|3,0,0]=4 1155 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [1,0,0,0,0,0|3,0,0]=4 1156 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [1,0,0,0,0,0|3,0,0]=4 1157 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [1,0,0,0,0,0|2,0,0]=3 1158 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [1,0,0,0,0,0|2,0,0]=3 1159 B14R0.337 CCCCSCCNCCCC(=O)NC 2230a_100025743550_100000741757 [1,0,0,0,0,0|2,0,0]=3 1160 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [1,0,0,0,0,0|3,0,0]=4 1161 B14R0.337 CCCCSCCOCCCC(=O)NC 34a_200000230436_100000741757 [1,0,0,0,0,0|2,0,0]=3 1162 B14R0.337 CCCCSCCOCCCC(=O)NC 7a_200000230436_100000741757 [1,0,0,0,0,0|2,0,0]=3 1163 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [1,0,0,0,0,0|3,0,0]=4 1164 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [1,0,0,0,0,0|3,0,0]=4 1165 B14R0.337 CCCCSCCOCCOC(=O)NC 34a_200000230436_200011997002 [1,0,0,0,0,0|3,0,0]=4 1166 B14R0.337 CCCCSCCOCCOC(=O)NC 7a_200000230436_200011997002 [1,0,0,0,0,0|3,0,0]=4 1167 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [1,0,0,0,0,0|2,0,0]=3 1168 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [1,0,0,0,0,0|2,0,0]=3 1169 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [1,0,0,0,0,0|2,0,0]=3 1170 B14R0.337 CCCOCCCNCCCC(=O)NC 2230a_100011217757_100000741757 [1,0,0,0,0,0|2,0,0]=3 1171 B14R0.337 CCCOCCCNCCCC(=O)NC 34a_100011217757_100000741757 [1,0,0,0,0,0|2,0,0]=3 1172 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [1,0,0,0,0,0|3,0,0]=4 1173 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [1,0,0,0,0,0|3,0,0]=4 1174 B14R0.337 CCCOCCCNCCOC(=O)NC 34a_100011217757_200011997002 [1,0,0,0,0,0|3,0,0]=4 1175 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [1,0,0,0,0,0|3,0,0]=4 1176 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [1,0,0,0,0,0|3,0,0]=4 1177 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [1,0,0,0,0,0|3,0,0]=4 1178 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [1,0,0,0,0,0|3,0,0]=4 1179 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [1,0,0,0,0,0|3,0,0]=4 1180 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [1,0,0,0,0,0|3,0,0]=4 1181 B14R0.337 CCCOCCOCCNCC(=O)NC 2230a_200011904461_100000183359 [1,0,0,0,0,0|3,0,0]=4 1182 B14R0.337 CCCOCCOCCNCC(=O)NC 34a_200011904461_100000183359 [1,0,0,0,0,0|3,0,0]=4 1183 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [1,0,0,0,0,0|3,0,0]=4 1184 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [1,0,0,0,0,0|3,0,0]=4 1185 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [1,0,0,0,0,0|2,0,0]=3 1186 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [1,0,0,0,0,0|2,0,0]=3 1187 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [1,0,0,0,0,0|3,0,0]=4 1188 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [1,0,0,0,0,0|3,0,0]=4 1189 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [1,0,0,0,0,0|3,0,0]=4 1190 B14R0.337 CCN(C)CCCCCCCCCCO 2230a_100000225621_100009813290 [1,0,0,0,0,0|3,0,0]=4 1191 B14R0.337 CCN(C)CCCCCCCCCCO 269982a_100000225621_100009813290 [1,0,0,0,0,0|3,0,0]=4 1192 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [1,0,0,0,0,0|2,0,0]=3 1193 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [1,0,0,0,0,0|2,0,0]=3 1194 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [1,0,0,0,0,0|2,0,0]=3 1195 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [1,0,0,0,0,0|2,0,0]=3 1196 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [1,0,0,0,0,0|3,0,0]=4 1197 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [1,0,0,0,0,0|3,0,0]=4 1198 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [1,0,0,0,0,0|3,0,0]=4 1199 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [1,0,0,0,0,0|3,0,0]=4 1200 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [1,0,0,0,0,0|3,0,0]=4 1201 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [1,0,0,0,0,0|3,0,0]=4 1202 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [1,0,0,0,0,0|3,0,0]=4 1203 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [1,0,0,0,0,0|3,0,0]=4 1204 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [1,0,0,0,0,0|3,0,0]=4 1205 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [1,0,0,0,0,0|3,0,0]=4 1206 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [1,0,0,0,0,0|3,0,0]=4 1207 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [1,0,0,0,0,0|3,0,0]=4 1208 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [1,0,0,0,0,0|3,0,0]=4 1209 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [1,0,0,0,0,0|3,0,0]=4 1210 B14R0.337 CCOCCOCCNCCC(=O)NC 2230a_100000738227_100011211534 [1,0,0,0,0,0|3,0,0]=4 1211 B14R0.337 CCOCCOCCNCCC(=O)NC 2230a_100102712874_100000737683 [1,0,0,0,0,0|3,0,0]=4 1212 B14R0.337 CCOCCOCCNCCC(=O)NC 34a_100000738227_100011211534 [1,0,0,0,0,0|3,0,0]=4 1213 B14R0.337 CCOCCOCCNCCC(=O)NC 34a_100102712874_100012179268 [1,0,0,0,0,0|3,0,0]=4 1214 B14R0.337 CCOCCOCCOCCC(=O)NC 34a_100000210240_100012179268 [1,0,0,0,0,0|3,0,0]=4 1215 B14R0.337 CCOCCOCCOCCC(=O)NC 34a_100000754576_100011211534 [1,0,0,0,0,0|3,0,0]=4 1216 B14R0.337 CCOCCOCCOCCC(=O)NC 7a_100000210240_100000737683 [1,0,0,0,0,0|3,0,0]=4 1217 B14R0.337 CCOCCOCCSCCC(=O)NC 62a_100000737683_100011211534 [1,0,0,0,0,0|3,0,0]=4 1218 B14R0.337 CCOCCOCCSCCC(=O)NC 62a_100011211534_100000737683 [1,0,0,0,0,0|3,0,0]=4 1219 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [1,0,0,0,0,0|3,0,0]=4 1220 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [1,0,0,0,0,0|3,0,0]=4 1221 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [1,0,0,0,0,0|3,0,0]=4 1222 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [1,0,0,0,0,0|3,0,0]=4 1223 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [1,0,0,0,0,0|2,0,0]=3 1224 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [1,0,0,0,0,0|2,0,0]=3 1225 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [1,0,0,0,0,0|3,0,0]=4 1226 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [1,0,0,0,0,0|3,0,0]=4 1227 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [1,0,0,0,0,0|3,0,0]=4 1228 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [1,0,0,0,0,0|3,0,0]=4 1229 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [1,0,0,0,0,0|3,0,0]=4 1230 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [1,0,0,0,0,0|3,0,0]=4 1231 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [1,0,0,0,0,0|3,0,0]=4 1232 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [1,0,0,0,0,0|3,0,0]=4 1233 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [1,0,0,0,0,0|3,0,0]=4 1234 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [1,0,0,0,0,0|1,0,0]=2 1235 B14R0.337 CNC(=O)CCCNCCCCCC#N 2230a_100000740002_100009813376 [1,0,0,0,0,0|2,0,1]=4 1236 B14R0.337 CNC(=O)CCCNCCCCCC=O 2230a_100000740002_100000139337 [1,0,0,0,0,0|2,0,1]=4 1237 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [1,0,0,0,0,0|2,0,0]=3 1238 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [1,0,0,0,0,0|2,0,0]=3 1239 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [1,0,0,0,0,0|2,0,0]=3 1240 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [1,0,0,0,0,0|2,0,0]=3 1241 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [1,0,0,0,0,0|2,0,0]=3 1242 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [1,0,0,0,0,0|2,0,0]=3 1243 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [1,0,0,0,0,0|2,0,0]=3 1244 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [1,0,0,0,0,0|2,0,0]=3 1245 B14R0.337 CNC(=O)CCCNCCOCCOC 2230a_100000740002_100000695917 [1,0,0,0,0,0|3,0,0]=4 1246 B14R0.337 CNC(=O)CCCNCCOCCOC 2230a_100000745349_100000741757 [1,0,0,0,0,0|3,0,0]=4 1247 B14R0.337 CNC(=O)CCCNCCOCCOC 34a_100000740002_100000695917 [1,0,0,0,0,0|3,0,0]=4 1248 B14R0.337 CNC(=O)CCCNCCOCCOC 34a_100000745349_100000741757 [1,0,0,0,0,0|3,0,0]=4 1249 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [1,0,0,0,0,0|2,0,0]=3 1250 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [1,0,0,0,0,0|2,0,0]=3 1251 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [1,0,0,0,0,0|2,0,0]=3 1252 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [1,0,0,0,0,0|2,0,0]=3 1253 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [1,0,0,0,0,0|2,0,0]=3 1254 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [1,0,0,0,0,0|2,0,0]=3 1255 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [1,0,0,0,0,0|2,0,0]=3 1256 B14R0.337 CNC(=O)CCCOCCOCCOC 34a_100011215163_100000741757 [1,0,0,0,0,0|3,0,0]=4 1257 B14R0.337 CNC(=O)CCCOCCOCCOC 7a_100011215163_100000741757 [1,0,0,0,0,0|3,0,0]=4 1258 B14R0.337 CNC(=O)CCCSCCCCCC#N 62a_100000741757_100009813376 [1,0,0,0,0,0|2,0,1]=4 1259 B14R0.337 CNC(=O)CCCSCCCCCC#N 62a_100009813376_100000741757 [1,0,0,0,0,0|2,0,1]=4 1260 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000139337_100000741757 [1,0,0,0,0,0|2,0,1]=4 1261 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000741757_100000139337 [1,0,0,0,0,0|2,0,1]=4 1262 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [1,0,0,0,0,0|2,0,0]=3 1263 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [1,0,0,0,0,0|2,0,0]=3 1264 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [1,0,0,0,0,0|2,0,0]=3 1265 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [1,0,0,0,0,0|2,0,0]=3 1266 B14R0.337 CNC(=O)CCCSCCOCCOC 62a_100000695917_100000741757 [1,0,0,0,0,0|3,0,0]=4 1267 B14R0.337 CNC(=O)CCCSCCOCCOC 62a_100000741757_100000695917 [1,0,0,0,0,0|3,0,0]=4 1268 B14R0.337 CNC(=O)CCNCCCCCCC#N 2230a_100000738227_100009813337 [1,0,0,0,0,0|2,0,1]=4 1269 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [1,0,0,0,0,0|2,0,0]=3 1270 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [1,0,0,0,0,0|2,0,0]=3 1271 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [1,0,0,0,0,0|2,0,0]=3 1272 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [1,0,0,0,0,0|2,0,0]=3 1273 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [1,0,0,0,0,0|2,0,0]=3 1274 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [1,0,0,0,0,0|2,0,0]=3 1275 B14R0.337 CNC(=O)CCNCCCOCCCO 2230a_100011310245_100000737683 [1,0,0,0,0,0|3,0,0]=4 1276 B14R0.337 CNC(=O)CCNCCCOCCCO 34a_100011310245_100012179268 [1,0,0,0,0,0|3,0,0]=4 1277 B14R0.337 CNC(=O)CCNCCCOCCOC 2230a_100000206027_100000737683 [1,0,0,0,0,0|3,0,0]=4 1278 B14R0.337 CNC(=O)CCNCCCOCCOC 2230a_100000738227_100011216529 [1,0,0,0,0,0|3,0,0]=4 1279 B14R0.337 CNC(=O)CCNCCCOCCOC 34a_100000206027_100012179268 [1,0,0,0,0,0|3,0,0]=4 1280 B14R0.337 CNC(=O)CCNCCCOCCOC 34a_100000738227_100011216529 [1,0,0,0,0,0|3,0,0]=4 1281 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [1,0,0,0,0,0|2,0,0]=3 1282 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [1,0,0,0,0,0|2,0,0]=3 1283 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [1,0,0,0,0,0|2,0,0]=3 1284 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [1,0,0,0,0,0|2,0,0]=3 1285 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [1,0,0,0,0,0|2,0,0]=3 1286 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [1,0,0,0,0,0|2,0,0]=3 1287 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [1,0,0,0,0,0|2,0,0]=3 1288 B14R0.337 CNC(=O)CCOCCCOCCCN 34a_100011310245_100012179268 [1,0,0,0,0,0|3,0,0]=4 1289 B14R0.337 CNC(=O)CCOCCCOCCOC 34a_100000754576_100011216529 [1,0,0,0,0,0|3,0,0]=4 1290 B14R0.337 CNC(=O)CCSCCCCCCC#N 62a_100000737683_100009813337 [1,0,0,0,0,0|2,0,1]=4 1291 B14R0.337 CNC(=O)CCSCCCCCCC#N 62a_100009813337_100000737683 [1,0,0,0,0,0|2,0,1]=4 1292 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [1,0,0,0,0,0|2,0,0]=3 1293 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [1,0,0,0,0,0|2,0,0]=3 1294 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [1,0,0,0,0,0|2,0,0]=3 1295 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [1,0,0,0,0,0|2,0,0]=3 1296 B14R0.337 CNC(=O)CCSCCCOCCOC 62a_100000737683_100011216529 [1,0,0,0,0,0|3,0,0]=4 1297 B14R0.337 CNC(=O)CCSCCCOCCOC 62a_100011216529_100000737683 [1,0,0,0,0,0|3,0,0]=4 1298 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [1,0,0,0,0,0|2,0,0]=3 1299 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [1,0,0,0,0,0|2,0,0]=3 1300 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [1,0,0,0,0,0|2,0,0]=3 1301 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [1,0,0,0,0,0|2,0,0]=3 1302 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [1,0,0,0,0,0|2,0,0]=3 1303 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [1,0,0,0,0,0|2,0,0]=3 1304 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [1,0,0,0,0,0|2,0,0]=3 1305 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [1,0,0,0,0,0|2,0,0]=3 1306 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [1,0,0,0,0,0|2,0,0]=3 1307 B14R0.337 CNC(=O)COCCCCCNCCN 34a_103619048469_100000183359 [1,0,0,0,0,0|3,0,0]=4 1308 B14R0.337 CNC(=O)COCCCOCCCOC 34a_200011215475_100000183359 [1,0,0,0,0,0|3,0,0]=4 1309 B14R0.337 CNC(=O)COCCCOCCCOC 7a_200011215475_100000183359 [1,0,0,0,0,0|3,0,0]=4 1310 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [1,0,0,0,0,0|2,0,0]=3 1311 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [1,0,0,0,0,0|2,0,0]=3 1312 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [1,0,0,0,0,0|2,0,0]=3 1313 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [1,0,0,0,0,0|2,0,0]=3 1314 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [1,0,0,0,0,0|2,0,0]=3 1315 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [1,0,0,0,0,0|2,0,0]=3 1316 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [1,0,0,0,0,0|2,0,0]=3 1317 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [1,0,0,0,0,0|2,0,0]=3 1318 B14R0.337 CNC(=O)NCCNCCCCCCF 34a_100015205895_100015922095 [1,0,0,0,0,0|3,0,0]=4 1319 B14R0.337 CNC(=O)NCCNCCCCCCO 34a_100015205895_100000766143 [1,0,0,0,0,0|3,0,0]=4 1320 B14R0.337 CNC(=O)OCCNCCCCCCO 34a_100000686447_200011997002 [1,0,0,0,0,0|3,0,0]=4 1321 B14R0.337 CNC(=O)OCCNCCCCCOC 34a_100000747528_200011997002 [1,0,0,0,0,0|3,0,0]=4 1322 B14R0.337 CNC(=O)OCCOCCCCCCBr 34a_100011215345_200011997002 [1,0,0,0,0,0|3,0,0]=4 1323 B14R0.337 CNC(=O)OCCOCCCCCCBr 7a_100011215345_200011997002 [1,0,0,0,0,0|3,0,0]=4 1324 B14R0.337 CNC(=O)OCCOCCCCCCCl 34a_100000766143_200011997002 [1,0,0,0,0,0|3,0,0]=4 1325 B14R0.337 CNC(=O)OCCOCCCCCCCl 7a_100000766143_200011997002 [1,0,0,0,0,0|3,0,0]=4 1326 B14R0.337 CNC(=O)OCCOCCCCCCF 34a_100000732779_200011997002 [1,0,0,0,0,0|3,0,0]=4 1327 B14R0.337 CNC(=O)OCCOCCCCCCF 7a_100000732779_200011997002 [1,0,0,0,0,0|3,0,0]=4 1328 B14R0.337 CNC(=O)OCCOCCCCCCN 34a_100000686447_200011997002 [1,0,0,0,0,0|3,0,0]=4 1329 B14R0.337 CNC(=O)OCCSCCCCCCF 62a_100015922095_200011997002 [1,0,0,0,0,0|3,0,0]=4 1330 B14R0.337 CNC(=O)OCCSCCCCCCF 62a_200011997002_100015922095 [1,0,0,0,0,0|3,0,0]=4 1331 B14R0.337 CNC(=O)OCCSCCCCCCO 62a_100000766143_200011997002 [1,0,0,0,0,0|3,0,0]=4 1332 B14R0.337 CNC(=O)OCCSCCCCCCO 62a_200011997002_100000766143 [1,0,0,0,0,0|3,0,0]=4 1333 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [1,0,0,0,0,0|2,0,0]=3 1334 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [1,0,0,0,0,0|2,0,0]=3 1335 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [1,0,0,0,0,0|2,0,0]=3 1336 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [1,0,0,0,0,0|2,0,0]=3 1337 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [1,0,0,0,0,0|3,0,0]=4 1338 B14R0.337 CNCCCCCOCCOC(=O)NC 34a_100000722520_200011997002 [1,0,0,0,0,0|3,0,0]=4 1339 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [1,0,0,0,0,0|3,0,0]=4 1340 B14R0.337 CNCCOCCOCCCC(=O)NC 34a_100000228057_100000741757 [1,0,0,0,0,0|3,0,0]=4 1341 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [1,0,0,0,0,0|2,0,0]=3 1342 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [1,0,0,0,0,0|2,0,0]=3 1343 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [1,0,0,0,0,0|3,0,0]=4 1344 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [1,0,0,0,0,0|3,0,0]=4 1345 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [1,0,0,0,0,0|3,0,0]=4 1346 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [1,0,0,0,0,0|3,0,0]=4 1347 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [1,0,0,0,0,0|3,0,0]=4 1348 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [1,0,0,0,0,0|3,0,0]=4 1349 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [1,0,0,0,0,0|3,0,0]=4 1350 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [1,0,0,0,0,0|3,0,0]=4 1351 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [1,0,0,0,0,0|3,0,0]=4 1352 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [1,0,0,0,0,0|3,0,0]=4 1353 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [1,0,0,0,0,0|3,0,0]=4 1354 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [1,0,0,0,0,0|3,0,0]=4 1355 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [1,0,0,0,0,0|3,0,0]=4 1356 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [1,0,0,0,0,0|3,0,0]=4 1357 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [1,0,0,0,0,0|3,0,0]=4 1358 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [1,0,0,0,0,0|3,0,0]=4 1359 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [1,0,0,0,0,0|3,0,0]=4 1360 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [1,0,0,0,0,0|3,0,0]=4 1361 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [1,0,0,0,0,0|3,0,0]=4 1362 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [1,0,0,0,0,0|3,0,0]=4 1363 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [1,0,0,0,0,0|3,0,0]=4 1364 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [1,0,0,0,0,0|3,0,0]=4 1365 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [1,0,0,0,0,0|3,0,0]=4 1366 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [1,0,0,0,0,0|3,0,0]=4 1367 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [1,0,0,0,0,0|3,0,0]=4 1368 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [1,0,0,0,0,0|3,0,0]=4 1369 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [1,0,0,0,0,0|3,0,0]=4 1370 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [1,0,0,0,0,0|3,0,0]=4 1371 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [1,0,0,0,0,0|3,0,0]=4 1372 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [1,0,0,0,0,0|3,0,0]=4 1373 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [1,0,0,0,0,0|3,0,0]=4 1374 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [1,0,0,0,0,0|3,0,0]=4 1375 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [1,0,0,0,0,0|3,0,0]=4 1376 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [1,0,0,0,0,0|3,0,0]=4 1377 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [1,0,0,0,0,0|3,0,0]=4 1378 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [1,0,0,0,0,0|3,0,0]=4 1379 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [1,0,0,0,0,0|3,0,0]=4 1380 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [1,0,0,0,0,0|3,0,0]=4 1381 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [1,0,0,0,0,0|3,0,0]=4 1382 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [1,0,0,0,0,0|3,0,0]=4 1383 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [1,0,0,0,0,0|3,0,0]=4 1384 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [1,0,0,0,0,0|3,0,0]=4 1385 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [1,0,0,0,0,0|3,0,0]=4 1386 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [1,0,0,0,0,0|3,0,0]=4 1387 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [1,0,0,0,0,0|3,0,0]=4 1388 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [1,0,0,0,0,0|3,0,0]=4 1389 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [1,0,0,0,0,0|3,0,0]=4 1390 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [1,0,0,0,0,0|3,0,0]=4 1391 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [1,0,0,0,0,0|3,0,0]=4 1392 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [1,0,0,0,0,0|3,0,0]=4 1393 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [1,0,0,0,0,0|3,0,0]=4 1394 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [1,0,0,0,0,0|3,0,0]=4 1395 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [1,0,0,0,0,0|3,0,0]=4 1396 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [1,0,0,0,0,0|3,0,0]=4 1397 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [1,0,0,0,0,0|3,0,0]=4 1398 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [1,0,0,0,0,0|3,0,0]=4 1399 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [1,0,0,0,0,0|3,0,0]=4 1400 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [1,0,0,0,0,0|3,0,0]=4 1401 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [1,0,0,0,0,0|3,0,0]=4 1402 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [1,0,0,0,0,0|3,0,0]=4 1403 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [1,0,0,0,0,0|3,0,0]=4 1404 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [1,0,0,0,0,0|3,0,0]=4 1405 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [1,0,0,0,0,0|3,0,0]=4 1406 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [1,0,0,0,0,0|3,0,0]=4 1407 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [1,0,0,0,0,0|3,0,0]=4 1408 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [1,0,0,0,0,0|3,0,0]=4 1409 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [1,0,0,0,0,0|3,0,0]=4 1410 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [1,0,0,0,0,0|3,0,0]=4 1411 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [1,0,0,0,0,0|3,0,0]=4 1412 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [1,0,0,0,0,0|3,0,0]=4 1413 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [1,0,0,0,0,0|3,0,0]=4 1414 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [1,0,0,0,0,0|3,0,0]=4 1415 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [1,0,0,0,0,0|3,0,0]=4 1416 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [1,0,0,0,0,0|3,0,0]=4 1417 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [1,0,0,0,0,0|3,0,0]=4 1418 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [1,0,0,0,0,0|3,0,0]=4 1419 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [1,0,0,0,0,0|3,0,0]=4 1420 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [1,0,0,0,0,0|3,0,0]=4 1421 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [1,0,0,0,0,0|3,0,0]=4 1422 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [1,0,0,0,0,0|3,0,0]=4 1423 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [1,0,0,0,0,0|3,0,0]=4 1424 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [1,0,0,0,0,0|3,0,0]=4 1425 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [1,0,0,0,0,0|3,0,0]=4 1426 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [1,0,0,0,0,0|3,0,0]=4 1427 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [1,0,0,0,0,0|3,0,0]=4 1428 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [1,0,0,0,0,0|3,0,0]=4 1429 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [1,0,0,0,0,0|3,0,0]=4 1430 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [1,0,0,0,0,0|3,0,0]=4 1431 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [1,0,0,0,0,0|3,0,0]=4 1432 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [1,0,0,0,0,0|3,0,0]=4 1433 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [1,0,0,0,0,0|3,0,0]=4 1434 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [1,0,0,0,0,0|3,0,0]=4 1435 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [1,0,0,0,0,0|3,0,0]=4 1436 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [1,0,0,0,0,0|3,0,0]=4 1437 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [1,0,0,0,0,0|3,0,0]=4 1438 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [1,0,0,0,0,0|3,0,0]=4 1439 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [1,0,0,0,0,0|3,0,0]=4 1440 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [1,0,0,0,0,0|3,0,0]=4 1441 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [1,0,0,0,0,0|3,0,0]=4 1442 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [1,0,0,0,0,0|3,0,0]=4 1443 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [1,0,0,0,0,0|3,0,0]=4 1444 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [1,0,0,0,0,0|3,0,0]=4 1445 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [1,0,0,0,0,0|3,0,0]=4 1446 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [1,0,0,0,0,0|3,0,0]=4 1447 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [1,0,0,0,0,0|3,0,0]=4 1448 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [1,0,0,0,0,0|3,0,0]=4 1449 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [1,0,0,0,0,0|3,0,0]=4 1450 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [1,0,0,0,0,0|3,0,0]=4 1451 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [1,0,0,0,0,0|3,0,0]=4 1452 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [1,0,0,0,0,0|2,0,0]=3 1453 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [1,0,0,0,0,0|3,0,0]=4 1454 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [1,0,0,0,0,0|3,0,0]=4 1455 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [1,0,0,0,0,0|3,0,0]=4 1456 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [1,0,0,0,0,0|3,0,0]=4 1457 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [1,0,0,0,0,0|3,0,0]=4 1458 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [1,0,0,0,0,0|3,0,0]=4 1459 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [1,0,0,0,0,0|3,0,0]=4 1460 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [1,0,0,0,0,0|3,0,0]=4 1461 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [1,0,0,0,0,0|3,0,0]=4 1462 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [1,0,0,0,0,0|3,0,0]=4 1463 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [1,0,0,0,0,0|3,0,0]=4 1464 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [1,0,0,0,0,0|3,0,0]=4 1465 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [1,0,0,0,0,0|3,0,0]=4 1466 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [1,0,0,0,0,0|3,0,0]=4 1467 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [1,0,0,0,0,0|3,0,0]=4 1468 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [1,0,0,0,0,0|3,0,0]=4 1469 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [1,0,0,0,0,0|3,0,0]=4 1470 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [1,0,0,0,0,0|3,0,0]=4 1471 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [1,0,0,0,0,0|3,0,0]=4 1472 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [1,0,0,0,0,0|3,0,0]=4 1473 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [1,0,0,0,0,0|3,0,0]=4 1474 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [1,0,0,0,0,0|3,0,0]=4 1475 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [1,0,0,0,0,0|3,0,0]=4 1476 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [1,0,0,0,0,0|3,0,0]=4 1477 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [1,0,0,0,0,0|3,0,0]=4 1478 B14R0.337 NNC(=O)CCCOCCCCCCF 34a_100000211488_100015922095 [1,0,0,0,0,0|3,0,0]=4 1479 B14R0.337 NNC(=O)CCCOCCCCCCO 34a_100000211488_100000766143 [1,0,0,0,0,0|3,0,0]=4 1480 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [1,0,0,0,0,0|2,0,0]=3 1481 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1482 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [1,0,0,0,0,0|0,0,3]=4 1483 B14R0.392 CC/C=C/CCCOCCCCCCC 34a_100016287902_100000210614 [1,0,0,0,0,0|2,0,0]=3 1484 B14R0.392 CC/C=C/CCCOCCCCCCC 7a_100016287902_100000210614 [1,0,0,0,0,0|2,0,0]=3 1485 B14R0.392 CC/C=C/CCCOCCCCCCF 34a_100016287902_100015922095 [1,0,0,0,0,0|3,0,0]=4 1486 B14R0.392 CC/C=C/CCCOCCCCCCF 7a_100016287902_100015922095 [1,0,0,0,0,0|3,0,0]=4 1487 B14R0.392 CC/C=C/CCCOCCCCCCO 34a_100016287902_100000766143 [1,0,0,0,0,0|3,0,0]=4 1488 B14R0.392 CC/C=C/CCCOCCCCCCO 7a_100016287902_100000766143 [1,0,0,0,0,0|3,0,0]=4 1489 B14R0.392 CC/C=C/CCCOCCOCCCC 34a_100016287902_100000743108 [1,0,0,0,0,0|3,0,0]=4 1490 B14R0.392 CC/C=C/CCCOCCOCCCC 7a_100016287902_100000743108 [1,0,0,0,0,0|3,0,0]=4 1491 B14R0.392 CC/C=C\CCCCCCCNCCC 269862a_100020643023_200025770492 [1,0,0,0,0,0|2,0,0]=3 1492 B14R0.392 CC/C=C\CCCCCCCNCCF 269862a_100000724931_200025770492 [1,0,0,0,0,0|3,0,0]=4 1493 B14R0.392 CC/C=C\CCCCCCCNCCO 269862a_100000210304_200025770492 [1,0,0,0,0,0|3,0,0]=4 1494 B14R0.392 CC/C=C\CCCCCNCCCCC 269862a_100000209983_100016288537 [1,0,0,0,0,0|2,0,0]=3 1495 B14R0.392 CC/C=C\CCCCCNCCCCO 269862a_100000750430_100016288537 [1,0,0,0,0,0|3,0,0]=4 1496 B14R0.392 CC/C=C\CCCCCNCCCOC 269862a_100150723488_100016288537 [1,0,0,0,0,0|3,0,0]=4 1497 B14R0.392 CC/C=C\CCCCCNCCCSC 269862a_100000749238_100016288537 [1,0,0,0,0,0|3,0,0]=4 1498 B14R0.392 CC/C=C\CCCCCNCCOCC 269862a_100011200944_100016288537 [1,0,0,0,0,0|3,0,0]=4 1499 B14R0.392 CC/C=C\CCCCCNCCSCC 269862a_100000106463_100016288537 [1,0,0,0,0,0|3,0,0]=4 1500 B14R0.392 CC/C=C\CCCCCOCCCCC 34a_100016268722_100000718602 [1,0,0,0,0,0|2,0,0]=3 1501 B14R0.392 CC/C=C\CCCCCOCCCCC 7a_100016268722_100000210326 [1,0,0,0,0,0|2,0,0]=3 1502 B14R0.392 CC/C=C\CCCCCOCCCCF 34a_100016268722_100000729493 [1,0,0,0,0,0|3,0,0]=4 1503 B14R0.392 CC/C=C\CCCCCOCCCCF 7a_100016268722_100000729493 [1,0,0,0,0,0|3,0,0]=4 1504 B14R0.392 CC/C=C\CCCCCOCCCCO 34a_100016268722_100011216708 [1,0,0,0,0,0|3,0,0]=4 1505 B14R0.392 CC/C=C\CCCCCOCCCCO 7a_100016268722_100000210776 [1,0,0,0,0,0|3,0,0]=4 1506 B14R0.392 CC/C=C\CCCCCOCCCOC 34a_100016268722_100000740836 [1,0,0,0,0,0|3,0,0]=4 1507 B14R0.392 CC/C=C\CCCCCOCCCOC 7a_100016268722_100000740836 [1,0,0,0,0,0|3,0,0]=4 1508 B14R0.392 CC/C=C\CCCCCOCCOCC 34a_100016268722_100000210147 [1,0,0,0,0,0|3,0,0]=4 1509 B14R0.392 CC/C=C\CCCCCOCCOCC 7a_100016268722_100011215890 [1,0,0,0,0,0|3,0,0]=4 1510 B14R0.392 CC/C=C\CCCCCOCCSCC 34a_100016268722_100000757381 [1,0,0,0,0,0|3,0,0]=4 1511 B14R0.392 CC/C=C\CCCCCOCCSCC 7a_100016268722_100000757381 [1,0,0,0,0,0|3,0,0]=4 1512 B14R0.392 CC/C=C\CCCCOCCCCCC 34a_100016287862_100000210314 [1,0,0,0,0,0|2,0,0]=3 1513 B14R0.392 CC/C=C\CCCCOCCCCCC 7a_100016287862_100000210314 [1,0,0,0,0,0|2,0,0]=3 1514 B14R0.392 CC/C=C\CCCCOCCCCCF 34a_100016287862_100000729378 [1,0,0,0,0,0|3,0,0]=4 1515 B14R0.392 CC/C=C\CCCCOCCCCCF 7a_100016287862_100000729378 [1,0,0,0,0,0|3,0,0]=4 1516 B14R0.392 CC/C=C\CCCCOCCCCCO 34a_100016287862_100000746330 [1,0,0,0,0,0|3,0,0]=4 1517 B14R0.392 CC/C=C\CCCCOCCCCCO 7a_100016287862_100000746330 [1,0,0,0,0,0|3,0,0]=4 1518 B14R0.392 CC/C=C\CCCCOCCCCOC 34a_100016287862_100000755781 [1,0,0,0,0,0|3,0,0]=4 1519 B14R0.392 CC/C=C\CCCCOCCCCOC 7a_100016287862_100000730899 [1,0,0,0,0,0|3,0,0]=4 1520 B14R0.392 CC/C=C\CCCCOCCCOCC 34a_100016287862_100012232248 [1,0,0,0,0,0|3,0,0]=4 1521 B14R0.392 CC/C=C\CCCCOCCCOCC 7a_100016287862_100012232248 [1,0,0,0,0,0|3,0,0]=4 1522 B14R0.392 CC/C=C\CCCCOCCOCCC 34a_100016287862_100011215938 [1,0,0,0,0,0|3,0,0]=4 1523 B14R0.392 CC/C=C\CCCCOCCOCCC 7a_100016287862_100011215938 [1,0,0,0,0,0|3,0,0]=4 1524 B14R0.392 CC/C=C\CCCCOCOCCCC 34a_100016287862_100011995733 [1,0,0,0,0,0|3,0,0]=4 1525 B14R0.392 CC/C=C\CCNCCCCCCCC 2230a_100000229939_100015370543 [1,0,0,0,0,0|2,0,0]=3 1526 B14R0.392 CC/C=C\CCNCCCCCCCC 34a_100000229939_100015370543 [1,0,0,0,0,0|2,0,0]=3 1527 B14R0.392 CC/C=C\CCNCCCCCCCO 2230a_100011996573_100015370543 [1,0,0,0,0,0|3,0,0]=4 1528 B14R0.392 CC/C=C\CCNCCCCCCCO 34a_100011996573_100015370543 [1,0,0,0,0,0|3,0,0]=4 1529 B14R0.392 CC/C=C\CCNCCCOCCCC 2230a_200000211371_100015370543 [1,0,0,0,0,0|3,0,0]=4 1530 B14R0.392 CC/C=C\CCNCCCOCCCC 34a_200000211371_100015370543 [1,0,0,0,0,0|3,0,0]=4 1531 B14R0.392 CC/C=C\CCOCCCCCCCBr 34a_100000760002_100015370543 [1,0,0,0,0,0|3,0,0]=4 1532 B14R0.392 CC/C=C\CCOCCCCCCCBr 7a_100000760002_100015370543 [1,0,0,0,0,0|3,0,0]=4 1533 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100000210232_100015370543 [1,0,0,0,0,0|2,0,0]=3 1534 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100016288707_100000210759 [1,0,0,0,0,0|2,0,0]=3 1535 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100000210232_100015370543 [1,0,0,0,0,0|2,0,0]=3 1536 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100016288707_100000210759 [1,0,0,0,0,0|2,0,0]=3 1537 B14R0.392 CC/C=C\CCOCCCCCCCN 34a_100011996573_100015370543 [1,0,0,0,0,0|3,0,0]=4 1538 B14R0.392 CC/C=C\CCOCCCCCCCO 34a_100016288707_100000760002 [1,0,0,0,0,0|3,0,0]=4 1539 B14R0.392 CC/C=C\CCOCCCCCCCO 7a_100016288707_100000760002 [1,0,0,0,0,0|3,0,0]=4 1540 B14R0.392 CC/C=C\CCOCCCCCCOC 34a_100016288707_100011998445 [1,0,0,0,0,0|3,0,0]=4 1541 B14R0.392 CC/C=C\CCOCCCCCCOC 34a_200012092642_100015370543 [1,0,0,0,0,0|3,0,0]=4 1542 B14R0.392 CC/C=C\CCOCCCCCCOC 7a_100016288707_100011998445 [1,0,0,0,0,0|3,0,0]=4 1543 B14R0.392 CC/C=C\CCOCCCCCCOC 7a_200012092642_100015370543 [1,0,0,0,0,0|3,0,0]=4 1544 B14R0.392 CC/C=C\CCOCCCOCCCC 34a_200011215613_100015370543 [1,0,0,0,0,0|3,0,0]=4 1545 B14R0.392 CC/C=C\CCOCCCOCCCC 7a_200011215613_100015370543 [1,0,0,0,0,0|3,0,0]=4 1546 B14R0.392 CC/C=C\CCOCCNCCCCC 34a_100000224656_100015370543 [1,0,0,0,0,0|3,0,0]=4 1547 B14R0.392 CC/C=C\CCOCCOCCCCC 34a_100011215259_100015370543 [1,0,0,0,0,0|3,0,0]=4 1548 B14R0.392 CC/C=C\CCOCCOCCCCC 7a_100011215259_100015370543 [1,0,0,0,0,0|3,0,0]=4 1549 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100000210759_100015370543 [1,0,0,0,0,0|2,0,0]=3 1550 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100015370543_100000210317 [1,0,0,0,0,0|2,0,0]=3 1551 B14R0.392 CC/C=C\CCSCCCCCCCO 62a_100000760002_100015370543 [1,0,0,0,0,0|3,0,0]=4 1552 B14R0.392 CC/C=C\CCSCCCCCCCO 62a_100015370543_100000760002 [1,0,0,0,0,0|3,0,0]=4 1553 B14R0.392 CC/C=C\CCSCCCCCCOC 62a_100011998445_100015370543 [1,0,0,0,0,0|3,0,0]=4 1554 B14R0.392 CC/C=C\CCSCCCCCCOC 62a_100015370543_100011998445 [1,0,0,0,0,0|3,0,0]=4 1555 B14R0.392 CC/C=C\CNCCCCCCCCC 2230a_100000212291_100103147603 [1,0,0,0,0,0|2,0,0]=3 1556 B14R0.392 CC/C=C\CNCCCCCCCCC 34a_100000212291_100103147603 [1,0,0,0,0,0|2,0,0]=3 1557 B14R0.392 CC/C=C\CNCCCCCCCCO 2230a_102515433106_100103147603 [1,0,0,0,0,0|3,0,0]=4 1558 B14R0.392 CC/C=C\CNCCCCCCCCO 34a_102515433106_100103147603 [1,0,0,0,0,0|3,0,0]=4 1559 B14R0.392 CC/C=C\COCCCCCCCCBr 34a_100009813846_100103147603 [1,0,0,0,0,0|3,0,0]=4 1560 B14R0.392 CC/C=C\COCCCCCCCCBr 7a_100009813846_100103147603 [1,0,0,0,0,0|3,0,0]=4 1561 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100000210712_100103147603 [1,0,0,0,0,0|2,0,0]=3 1562 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100016268518_100011214924 [1,0,0,0,0,0|2,0,0]=3 1563 B14R0.392 CC/C=C\COCCCCCCCCC 7a_100000210712_100103147603 [1,0,0,0,0,0|2,0,0]=3 1564 B14R0.392 CC/C=C\COCCCCCCCCCl 34a_100000033203_100103147603 [1,0,0,0,0,0|3,0,0]=4 1565 B14R0.392 CC/C=C\COCCCCCCCCCl 7a_100000033203_100103147603 [1,0,0,0,0,0|3,0,0]=4 1566 B14R0.392 CC/C=C\COCCCCCCCCN 34a_102515433106_100103147603 [1,0,0,0,0,0|3,0,0]=4 1567 B14R0.392 CC/C=C\COCCCCCCCCO 34a_100016268518_100000033203 [1,0,0,0,0,0|3,0,0]=4 1568 B14R0.392 CC/C=C\COCCCCNCCCC 34a_200011216965_100103147603 [1,0,0,0,0,0|3,0,0]=4 1569 B14R0.392 CC/C=C\COCCCCOCCCC 34a_200000760531_100103147603 [1,0,0,0,0,0|3,0,0]=4 1570 B14R0.392 CC/C=C\COCCCCOCCCC 7a_200000760531_100103147603 [1,0,0,0,0,0|3,0,0]=4 1571 B14R0.392 CC/C=C\COCCOCCCCCC 34a_100000691444_100103147603 [1,0,0,0,0,0|3,0,0]=4 1572 B14R0.392 CC/C=C\COCCOCCCCCC 7a_100000691444_100103147603 [1,0,0,0,0,0|3,0,0]=4 1573 B14R0.392 CC/C=C\CSCCCCCCCCC 62a_100103147603_100000210670 [1,0,0,0,0,0|2,0,0]=3 1574 B14R0.392 CC/C=C\CSCCCCCCCCO 62a_100000033203_100103147603 [1,0,0,0,0,0|3,0,0]=4 1575 B14R0.392 CC/C=C\CSCCCCCCCCO 62a_100103147603_100000033203 [1,0,0,0,0,0|3,0,0]=4 1576 B14R0.392 CC=C=CCCOCCCCCCCC 34a_100011020354_100000210759 [1,0,0,0,0,0|2,0,1]=4 1577 B14R0.392 CCC#CCCCCCCCCOCC 34a_200000031908_100000210202 [1,0,0,0,0,0|2,0,1]=4 1578 B14R0.392 CCC#CCCCCCCCCOCC 7a_200000031908_100000210202 [1,0,0,0,0,0|2,0,1]=4 1579 B14R0.392 CCC#CCCCCCCNCCCC 2230a_100000102301_200000036426 [1,0,0,0,0,0|2,0,1]=4 1580 B14R0.392 CCC#CCCCCCCNCCCC 7a_106832991798_200000036426 [1,0,0,0,0,0|2,0,1]=4 1581 B14R0.392 CCC#CCCCCCCOCCCC 34a_100000210227_200000036426 [1,0,0,0,0,0|2,0,1]=4 1582 B14R0.392 CCC#CCCCCCCOCCCC 7a_100000210227_200000036426 [1,0,0,0,0,0|2,0,1]=4 1583 B14R0.392 CCC#CCCCCCCSCCCC 62a_100000210211_200000036426 [1,0,0,0,0,0|2,0,1]=4 1584 B14R0.392 CCC#CCCCCCCSCCCC 62a_200000036426_100000210210 [1,0,0,0,0,0|2,0,1]=4 1585 B14R0.392 CCC#CCCOCCCCCCCC 34a_100000036655_100000210759 [1,0,0,0,0,0|2,0,1]=4 1586 B14R0.392 CCC#CCCOCCCCCCCC 7a_100000036655_100000210759 [1,0,0,0,0,0|2,0,1]=4 1587 B14R0.392 CCC#CCNCCCCCCCCC 2230a_100000212291_100009813939 [1,0,0,0,0,0|2,0,1]=4 1588 B14R0.392 CCC#CCNCCCCCCCCC 34a_100000212291_100009813939 [1,0,0,0,0,0|2,0,1]=4 1589 B14R0.392 CCC#CCOCCCCCCCCC 34a_100000032950_100011214924 [1,0,0,0,0,0|2,0,1]=4 1590 B14R0.392 CCC#CCOCCCCCCCCC 34a_100000210712_100009813939 [1,0,0,0,0,0|2,0,1]=4 1591 B14R0.392 CCC#CCOCCCCCCCCC 7a_100000210712_100009813939 [1,0,0,0,0,0|2,0,1]=4 1592 B14R0.392 CCC#CCSCCCCCCCCC 62a_100009813939_100000210670 [1,0,0,0,0,0|2,0,1]=4 1593 B14R0.392 CCC/C=C/COCCCCCCCC 34a_100016278788_100000210759 [1,0,0,0,0,0|2,0,1]=4 1594 B14R0.392 CCC/C=C/COCCCCCCCC 7a_100016278788_100000210759 [1,0,0,0,0,0|2,0,1]=4 1595 B14R0.392 CCCCC#CCCCCCCNCC 2230a_100015525214_200000043322 [1,0,0,0,0,0|0,0,3]=4 1596 B14R0.392 CCCCCCCCCC/C=C/COC 34a_200025761149_200000210301 [1,0,0,0,0,0|2,0,1]=4 1597 B14R0.392 CCCCCCCCCC/C=C/COC 7a_200025761149_200000210301 [1,0,0,0,0,0|2,0,1]=4 1598 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 34a_200025761149_200025704644 [1,0,0,0,0,0|2,0,1]=4 1599 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 7a_200025761149_200025704644 [1,0,0,0,0,0|2,0,1]=4 1600 B14R0.392 CCCCCCCCCCC=NNCC 4a_100000756455_100011218819 [1,0,0,0,0,0|1,0,1]=3 1601 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [1,0,0,0,0,0|2,0,1]=4 1602 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [1,0,0,0,0,0|2,0,1]=4 1603 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [1,0,0,0,0,0|2,0,1]=4 1604 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [1,0,0,0,0,0|2,0,1]=4 1605 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [1,0,0,0,0,0|2,0,1]=4 1606 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [1,0,0,0,0,0|2,0,1]=4 1607 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [1,0,0,0,0,0|2,0,1]=4 1608 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [1,0,0,0,0,0|2,0,1]=4 1609 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [1,0,0,0,0,0|2,0,1]=4 1610 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [1,0,0,0,0,0|2,0,1]=4 1611 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [1,0,0,0,0,0|2,0,1]=4 1612 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [1,0,0,0,0,0|2,0,1]=4 1613 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [1,0,0,0,0,0|2,0,1]=4 1614 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [1,0,0,0,0,0|2,0,1]=4 1615 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [1,0,0,0,0,0|2,0,1]=4 1616 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [1,0,0,0,0,0|0,0,1]=2 1617 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [1,0,0,0,0,0|0,0,1]=2 1618 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [1,0,0,0,0,0|0,0,1]=2 1619 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [1,0,0,0,0,0|0,0,1]=2 1620 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [1,0,0,0,0,0|1,0,1]=3 1621 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [1,0,0,0,0,0|1,0,1]=3 1622 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [1,0,0,0,0,0|1,0,1]=3 1623 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [1,0,0,0,0,0|1,0,1]=3 1624 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [1,0,0,0,0,0|2,0,1]=4 1625 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [1,0,0,0,0,0|2,0,1]=4 1626 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [1,0,0,0,0,0|1,0,1]=3 1627 B14R0.392 CCCCCCCCCCCCSCF 62a_100015361967_100000759014 [1,0,0,0,0,0|2,0,1]=4 1628 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [1,0,0,0,0,0|2,0,0]=3 1629 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [1,0,0,0,0,0|2,0,0]=3 1630 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [1,0,0,0,0,0|3,0,0]=4 1631 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [1,0,0,0,0,0|3,0,0]=4 1632 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [1,0,0,0,0,0|3,0,0]=4 1633 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [1,0,0,0,0,0|3,0,0]=4 1634 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [1,0,0,0,0,0|3,0,0]=4 1635 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [1,0,0,0,0,0|3,0,0]=4 1636 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [1,0,0,0,0,0|3,0,0]=4 1637 B14R0.392 CCCCCCCCCCCNCOC 2230a_200011215754_100000766300 [1,0,0,0,0,0|3,0,0]=4 1638 B14R0.392 CCCCCCCCCCCNCSC 2230a_200011215754_100011218213 [1,0,0,0,0,0|3,0,0]=4 1639 B14R0.392 CCCCCCCCCCCNCSC 34a_200011215754_100011218213 [1,0,0,0,0,0|3,0,0]=4 1640 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [1,0,0,0,0,0|3,0,0]=4 1641 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [1,0,0,0,0,0|2,0,0]=3 1642 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [1,0,0,0,0,0|2,0,0]=3 1643 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [1,0,0,0,0,0|2,0,0]=3 1644 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [1,0,0,0,0,0|3,0,0]=4 1645 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [1,0,0,0,0,0|3,0,0]=4 1646 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [1,0,0,0,0,0|3,0,0]=4 1647 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [1,0,0,0,0,0|3,0,0]=4 1648 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [1,0,0,0,0,0|3,0,0]=4 1649 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [1,0,0,0,0,0|3,0,0]=4 1650 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [1,0,0,0,0,0|2,0,0]=3 1651 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [1,0,0,0,0,0|3,0,0]=4 1652 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [1,0,0,0,0,0|3,0,0]=4 1653 B14R0.392 CCCCCCCCCCCSCOC 62a_100000766300_100011215454 [1,0,0,0,0,0|3,0,0]=4 1654 B14R0.392 CCCCCCCCCCCSCSC 62a_100011218213_100011215454 [1,0,0,0,0,0|3,0,0]=4 1655 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [1,0,0,0,0,0|2,0,1]=4 1656 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [1,0,0,0,0,0|2,0,1]=4 1657 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [1,0,0,0,0,0|2,0,1]=4 1658 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [1,0,0,0,0,0|2,0,1]=4 1659 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [1,0,0,0,0,0|2,0,1]=4 1660 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [1,0,0,0,0,0|2,0,1]=4 1661 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [1,0,0,0,0,0|2,0,1]=4 1662 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [1,0,0,0,0,0|2,0,1]=4 1663 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [1,0,0,0,0,0|2,0,1]=4 1664 B14R0.392 CCCCCCCCCCSCOCC 62a_100000739092_100000210320 [1,0,0,0,0,0|2,0,1]=4 1665 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [1,0,0,0,0,0|2,0,1]=4 1666 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [1,0,0,0,0,0|2,0,1]=4 1667 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [1,0,0,0,0,0|2,0,1]=4 1668 B14R0.392 CCCCCCCCCNCCOCC 2230a_100000212291_100011215890 [1,0,0,0,0,0|2,0,1]=4 1669 B14R0.392 CCCCCCCCCNCCOCC 2230a_102516460346_100011214924 [1,0,0,0,0,0|2,0,1]=4 1670 B14R0.392 CCCCCCCCCNCCOCC 34a_100000212291_100000210147 [1,0,0,0,0,0|2,0,1]=4 1671 B14R0.392 CCCCCCCCCNCCOCC 34a_102516460346_100011214924 [1,0,0,0,0,0|2,0,1]=4 1672 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000106463_100011214924 [1,0,0,0,0,0|2,0,1]=4 1673 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000212291_100000757381 [1,0,0,0,0,0|2,0,1]=4 1674 B14R0.392 CCCCCCCCCNCCSCC 34a_100000212291_100000757381 [1,0,0,0,0,0|2,0,1]=4 1675 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [1,0,0,0,0,0|2,0,1]=4 1676 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [1,0,0,0,0,0|2,0,1]=4 1677 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [1,0,0,0,0,0|2,0,1]=4 1678 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [1,0,0,0,0,0|2,0,1]=4 1679 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210136_100011214924 [1,0,0,0,0,0|2,0,1]=4 1680 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210712_100000210147 [1,0,0,0,0,0|2,0,1]=4 1681 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210136_100000210328 [1,0,0,0,0,0|2,0,1]=4 1682 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210712_100011215890 [1,0,0,0,0,0|2,0,1]=4 1683 B14R0.392 CCCCCCCCCOCCSCC 34a_100000210712_100000757381 [1,0,0,0,0,0|2,0,1]=4 1684 B14R0.392 CCCCCCCCCOCCSCC 34a_100000212035_100011214924 [1,0,0,0,0,0|2,0,1]=4 1685 B14R0.392 CCCCCCCCCOCCSCC 7a_100000210712_100000757381 [1,0,0,0,0,0|2,0,1]=4 1686 B14R0.392 CCCCCCCCCOCCSCC 7a_100000212035_100000210328 [1,0,0,0,0,0|2,0,1]=4 1687 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [1,0,0,0,0,0|2,0,1]=4 1688 B14R0.392 CCCCCCCCCSCCOCC 62a_100000210147_100000210670 [1,0,0,0,0,0|2,0,1]=4 1689 B14R0.392 CCCCCCCCCSCCSCC 62a_100000757381_100000210670 [1,0,0,0,0,0|2,0,1]=4 1690 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [1,0,0,0,0,0|2,0,1]=4 1691 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [1,0,0,0,0,0|2,0,1]=4 1692 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [1,0,0,0,0,0|2,0,1]=4 1693 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000210961_100000210759 [1,0,0,0,0,0|2,0,1]=4 1694 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000229939_100012232248 [1,0,0,0,0,0|2,0,1]=4 1695 B14R0.392 CCCCCCCCNCCCOCC 34a_100000210961_100000210759 [1,0,0,0,0,0|2,0,1]=4 1696 B14R0.392 CCCCCCCCNCCCOCC 34a_100000229939_100012232248 [1,0,0,0,0,0|2,0,1]=4 1697 B14R0.392 CCCCCCCCNCCOCCC 2230a_100000229939_100011215938 [1,0,0,0,0,0|3,0,0]=4 1698 B14R0.392 CCCCCCCCNCCOCCC 2230a_100161115042_100000210759 [1,0,0,0,0,0|3,0,0]=4 1699 B14R0.392 CCCCCCCCNCCOCCC 34a_100000229939_100011215938 [1,0,0,0,0,0|3,0,0]=4 1700 B14R0.392 CCCCCCCCNCCOCCC 34a_100161115042_100000210759 [1,0,0,0,0,0|3,0,0]=4 1701 B14R0.392 CCCCCCCCNCCSCCC 2230a_100020603323_100000210759 [1,0,0,0,0,0|3,0,0]=4 1702 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [1,0,0,0,0,0|2,0,1]=4 1703 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [1,0,0,0,0,0|2,0,1]=4 1704 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [1,0,0,0,0,0|2,0,1]=4 1705 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [1,0,0,0,0,0|2,0,1]=4 1706 B14R0.392 CCCCCCCCOCCCOCC 34a_100000210232_100012232248 [1,0,0,0,0,0|2,0,1]=4 1707 B14R0.392 CCCCCCCCOCCCOCC 34a_100000757476_100000210759 [1,0,0,0,0,0|2,0,1]=4 1708 B14R0.392 CCCCCCCCOCCCOCC 7a_100000210232_100012232248 [1,0,0,0,0,0|2,0,1]=4 1709 B14R0.392 CCCCCCCCOCCCOCC 7a_100000757476_100000210759 [1,0,0,0,0,0|2,0,1]=4 1710 B14R0.392 CCCCCCCCOCCCSCC 34a_100011216438_100000210759 [1,0,0,0,0,0|2,0,1]=4 1711 B14R0.392 CCCCCCCCOCCCSCC 7a_100011216438_100000210759 [1,0,0,0,0,0|2,0,1]=4 1712 B14R0.392 CCCCCCCCOCCOCCC 34a_100000210232_100011215938 [1,0,0,0,0,0|3,0,0]=4 1713 B14R0.392 CCCCCCCCOCCOCCC 34a_100000752267_100000210759 [1,0,0,0,0,0|3,0,0]=4 1714 B14R0.392 CCCCCCCCOCCOCCC 7a_100000210232_100011215938 [1,0,0,0,0,0|3,0,0]=4 1715 B14R0.392 CCCCCCCCOCCOCCC 7a_100000752267_100000210759 [1,0,0,0,0,0|3,0,0]=4 1716 B14R0.392 CCCCCCCCOCCSCCC 34a_200000230433_100000210759 [1,0,0,0,0,0|3,0,0]=4 1717 B14R0.392 CCCCCCCCOCCSCCC 7a_200000230433_100000210759 [1,0,0,0,0,0|3,0,0]=4 1718 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [1,0,0,0,0,0|2,0,1]=4 1719 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [1,0,0,0,0,0|2,0,1]=4 1720 B14R0.392 CCCCCCCCSCCCOCC 62a_100000210759_100012232248 [1,0,0,0,0,0|2,0,1]=4 1721 B14R0.392 CCCCCCCCSCCCOCC 62a_100012232248_100000210317 [1,0,0,0,0,0|2,0,1]=4 1722 B14R0.392 CCCCCCCCSCCOCCC 62a_100000210759_100011215938 [1,0,0,0,0,0|3,0,0]=4 1723 B14R0.392 CCCCCCCCSCCOCCC 62a_100011215938_100000210317 [1,0,0,0,0,0|3,0,0]=4 1724 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [1,0,0,0,0,0|2,0,1]=4 1725 B14R0.392 CCCCCCCNCCCOCCC 2230a_100011217757_100000210681 [1,0,0,0,0,0|3,0,0]=4 1726 B14R0.392 CCCCCCCNCCCOCCC 34a_100011217757_100000210614 [1,0,0,0,0,0|3,0,0]=4 1727 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [1,0,0,0,0,0|2,0,1]=4 1728 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [1,0,0,0,0,0|2,0,1]=4 1729 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [1,0,0,0,0,0|2,0,1]=4 1730 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [1,0,0,0,0,0|3,0,0]=4 1731 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [1,0,0,0,0,0|3,0,0]=4 1732 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [1,0,0,0,0,0|3,0,0]=4 1733 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [1,0,0,0,0,0|3,0,0]=4 1734 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [1,0,0,0,0,0|3,0,0]=4 1735 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [1,0,0,0,0,0|3,0,0]=4 1736 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [1,0,0,0,0,0|3,0,0]=4 1737 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [1,0,0,0,0,0|3,0,0]=4 1738 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [1,0,0,0,0,0|3,0,0]=4 1739 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [1,0,0,0,0,0|3,0,0]=4 1740 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [1,0,0,0,0,0|1,0,1]=3 1741 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [1,0,0,0,0,0|2,0,1]=4 1742 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [1,0,0,0,0,0|2,0,1]=4 1743 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [1,0,0,0,0,0|2,0,1]=4 1744 B14R0.392 CCOCCCCCCCCCOCC 34a_100009875440_100000210202 [1,0,0,0,0,0|2,0,1]=4 1745 B14R0.392 CCOCCCCCCCCCOCC 7a_100009875440_100000210202 [1,0,0,0,0,0|2,0,1]=4 1746 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [1,0,0,0,0,0|2,0,1]=4 1747 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000184674 [1,0,0,0,0,0|1,0,2]=4 1748 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100011220946_100000210319 [1,0,0,0,0,0|1,0,2]=4 1749 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [1,0,0,0,0,0|1,0,2]=4 1750 B14R0.393 C#CCCCCCCCCC(=O)NCC 11a_100015525214_100000029693 [1,0,0,0,0,0|0,0,2]=3 1751 B14R0.393 C#CCCCCCCCCC(=O)NCC 240690a_100015525214_100000029693 [1,0,0,0,0,0|0,0,2]=3 1752 B14R0.393 C#CCCCCCCCCC(=O)NCC 527a_100015525214_100000029693 [1,0,0,0,0,0|0,0,2]=3 1753 B14R0.393 C#CCCCCCCCCC(=O)NNC 22a_100016993582_100000029693 [1,0,0,0,0,0|1,0,2]=4 1754 B14R0.393 C#CCCCCCCNCC(=O)NCC 2230a_100016988866_100012276617 [1,0,0,0,0,0|1,0,2]=4 1755 B14R0.393 C#CCCCCCCOCC(=O)NCC 34a_100011217361_100000183381 [1,0,0,0,0,0|1,0,2]=4 1756 B14R0.393 C#CCCCCCCOCC(=O)NCC 7a_100011217361_100000183381 [1,0,0,0,0,0|1,0,2]=4 1757 B14R0.393 C#CCCCCCCSCC(=O)NCC 62a_100000183381_100012276617 [1,0,0,0,0,0|1,0,2]=4 1758 B14R0.393 C#CCCCCCCSCC(=O)NCC 62a_100012276617_100000183381 [1,0,0,0,0,0|1,0,2]=4 1759 B14R0.393 C#CCCCCCNCCC(=O)NCC 34a_100025743525_100012094781 [1,0,0,0,0,0|1,0,2]=4 1760 B14R0.393 C#CCCCCCOCCC(=O)NCC 7a_100000766912_100000737597 [1,0,0,0,0,0|1,0,2]=4 1761 B14R0.393 C#CCCCCCSCCC(=O)NCC 62a_100000737597_100012094781 [1,0,0,0,0,0|1,0,2]=4 1762 B14R0.393 C#CCCCCCSCCC(=O)NCC 62a_100012094781_100000737597 [1,0,0,0,0,0|1,0,2]=4 1763 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [1,0,0,0,0,0|1,0,2]=4 1764 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [1,0,0,0,0,0|1,0,2]=4 1765 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [1,0,0,0,0,0|1,0,2]=4 1766 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [1,0,0,0,0,0|1,0,2]=4 1767 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [1,0,0,0,0,0|0,0,2]=3 1768 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [1,0,0,0,0,0|0,0,2]=3 1769 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [1,0,0,0,0,0|0,0,2]=3 1770 B14R0.393 C=CCCCCCCCCC(=O)NNC 22a_100016993582_100000211349 [1,0,0,0,0,0|1,0,2]=4 1771 B14R0.393 C=CCCCCCCNCC(=O)NCC 2230a_100016988866_100011215473 [1,0,0,0,0,0|1,0,2]=4 1772 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [1,0,0,0,0,0|1,0,2]=4 1773 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [1,0,0,0,0,0|1,0,2]=4 1774 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100000183381_100011215473 [1,0,0,0,0,0|1,0,2]=4 1775 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100011215473_100000183381 [1,0,0,0,0,0|1,0,2]=4 1776 B14R0.393 C=CCCCCCNCCC(=O)NCC 34a_100025743525_100000700193 [1,0,0,0,0,0|1,0,2]=4 1777 B14R0.393 C=CCCCCCOCCC(=O)NCC 7a_100011216702_100000737597 [1,0,0,0,0,0|1,0,2]=4 1778 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000700193_100000737597 [1,0,0,0,0,0|1,0,2]=4 1779 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000737597_100000700193 [1,0,0,0,0,0|1,0,2]=4 1780 B14R0.393 CC#CC(=O)CCCCCCCCCC 1458a_100000763181_100000210319 [1,0,0,0,0,0|1,0,1]=3 1781 B14R0.393 CC#CC(=O)CCCCCCCCCO 1458a_100000763181_100009813782 [1,0,0,0,0,0|2,0,1]=4 1782 B14R0.393 CC#CCCCCCCCC(=O)CCC 1458a_100000066323_100000210303 [1,0,0,0,0,0|1,0,2]=4 1783 B14R0.393 CC#CCCCCCCCC(=O)NCC 11a_100015525214_100000066323 [1,0,0,0,0,0|0,0,2]=3 1784 B14R0.393 CC#CCCCCCCCC(=O)NCC 240690a_100015525214_100000066323 [1,0,0,0,0,0|0,0,2]=3 1785 B14R0.393 CC#CCCCCCCCC(=O)NCC 527a_100015525214_100000066323 [1,0,0,0,0,0|0,0,2]=3 1786 B14R0.393 CC/C=C/CCCOCCC(=O)NCC 7a_100016287902_100000737597 [1,0,0,0,0,0|1,0,2]=4 1787 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 34a_100016287862_100000183381 [1,0,0,0,0,0|1,0,2]=4 1788 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 7a_100016287862_100000183381 [1,0,0,0,0,0|1,0,2]=4 1789 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [1,0,0,0,0,0|1,0,1]=3 1790 B14R0.393 CC=CC(=O)CCCCCCCCCO 1458a_100000210699_100009813782 [1,0,0,0,0,0|2,0,1]=4 1791 B14R0.393 CC=CC(=O)NCCCCCCCCC 11a_100000212291_100000210699 [1,0,0,0,0,0|2,0,1]=4 1792 B14R0.393 CC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000210699 [1,0,0,0,0,0|2,0,1]=4 1793 B14R0.393 CC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000210699 [1,0,0,0,0,0|2,0,1]=4 1794 B14R0.393 CCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000036426 [1,0,0,0,0,0|1,0,2]=4 1795 B14R0.393 CCCC#CCCOCCC(=O)NCC 7a_100000042726_100000737597 [1,0,0,0,0,0|1,0,2]=4 1796 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [1,0,0,0,0,0|2,0,0]=3 1797 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [1,0,0,0,0,0|2,0,0]=3 1798 B14R0.393 CCCC(=O)CNCCCCCCCO 2230a_100011996573_100000747444 [1,0,0,0,0,0|3,0,0]=4 1799 B14R0.393 CCCC(=O)COCCCCCCCBr 7a_100000760002_100000747444 [1,0,0,0,0,0|3,0,0]=4 1800 B14R0.393 CCCC(=O)COCCCCCCOC 7a_200012092642_100000747444 [1,0,0,0,0,0|3,0,0]=4 1801 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000747444_100000760002 [1,0,0,0,0,0|3,0,0]=4 1802 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000760002_100000747444 [1,0,0,0,0,0|3,0,0]=4 1803 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100000747444_100011998445 [1,0,0,0,0,0|3,0,0]=4 1804 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100011998445_100000747444 [1,0,0,0,0,0|3,0,0]=4 1805 B14R0.393 CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000211992 [1,0,0,0,0,0|3,0,0]=4 1806 B14R0.393 CCCC/C=C/COCCC(=O)NCC 7a_200016272032_100000737597 [1,0,0,0,0,0|1,0,2]=4 1807 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 34a_200016286491_100000183381 [1,0,0,0,0,0|1,0,2]=4 1808 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 7a_200016286491_100000183381 [1,0,0,0,0,0|1,0,2]=4 1809 B14R0.393 CCCCC#CCCOCC(=O)NCC 34a_100000037610_100000183381 [1,0,0,0,0,0|1,0,2]=4 1810 B14R0.393 CCCCC#CCCOCC(=O)NCC 7a_100000037610_100000183381 [1,0,0,0,0,0|1,0,2]=4 1811 B14R0.393 CCCCC#CCOCCC(=O)NCC 7a_200000034558_100000737597 [1,0,0,0,0,0|1,0,2]=4 1812 B14R0.393 CCCCC/C=C/COCC(=O)NCC 34a_100016258190_100000183381 [1,0,0,0,0,0|1,0,2]=4 1813 B14R0.393 CCCCC/C=C/COCC(=O)NCC 7a_100016258190_100000183381 [1,0,0,0,0,0|1,0,2]=4 1814 B14R0.393 CCCCCC#CCNCC(=O)NCC 2230a_100016988866_100009816472 [1,0,0,0,0,0|1,0,2]=4 1815 B14R0.393 CCCCCC#CCOCC(=O)NCC 34a_200000033628_100000183381 [1,0,0,0,0,0|1,0,2]=4 1816 B14R0.393 CCCCCC#CCOCC(=O)NCC 7a_200000033628_100000183381 [1,0,0,0,0,0|1,0,2]=4 1817 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100000183381_100009816472 [1,0,0,0,0,0|1,0,2]=4 1818 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100009816472_100000183381 [1,0,0,0,0,0|1,0,2]=4 1819 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [1,0,0,0,0,0|1,0,2]=4 1820 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [1,0,0,0,0,0|0,0,2]=3 1821 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [1,0,0,0,0,0|0,0,2]=3 1822 B14R0.393 CCCCCCCCC=CC(=O)NNC 22a_100016993582_100015345288 [1,0,0,0,0,0|1,0,2]=4 1823 B14R0.393 CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210319 [1,0,0,0,0,0|2,0,1]=4 1824 B14R0.393 CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210319 [1,0,0,0,0,0|2,0,1]=4 1825 B14R0.393 CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210319 [1,0,0,0,0,0|2,0,1]=4 1826 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100000210375_100011214920 [1,0,0,0,0,0|2,0,1]=4 1827 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210319 [1,0,0,0,0,0|2,0,1]=4 1828 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [1,0,0,0,0,0|1,0,0]=2 1829 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [1,0,0,0,0,0|1,0,0]=2 1830 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [1,0,0,0,0,0|2,0,0]=3 1831 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [1,0,0,0,0,0|2,0,0]=3 1832 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [1,0,0,0,0,0|2,0,0]=3 1833 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [1,0,0,0,0,0|2,0,0]=3 1834 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [1,0,0,0,0,0|2,0,0]=3 1835 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [1,0,0,0,0,0|0,0,0]=1 1836 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [1,0,0,0,0,0|0,0,0]=1 1837 B14R0.393 CCCCCCCCCCC(=O)NNC 22a_100016993582_100000210375 [1,0,0,0,0,0|1,0,0]=2 1838 B14R0.393 CCCCCCCCCCC(C)NCC 270004a_100015525214_200011219864 [1,0,0,0,0,0|1,0,1]=3 1839 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [1,0,0,0,0,0|2,0,1]=4 1840 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [1,0,0,0,0,0|2,0,1]=4 1841 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000207566_100000210303 [1,0,0,0,0,0|3,0,0]=4 1842 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000747261_100000210320 [1,0,0,0,0,0|3,0,0]=4 1843 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000207566_100000210303 [1,0,0,0,0,0|3,0,0]=4 1844 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000747261_100000210320 [1,0,0,0,0,0|3,0,0]=4 1845 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [1,0,0,0,0,0|2,0,0]=3 1846 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [1,0,0,0,0,0|2,0,0]=3 1847 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [1,0,0,0,0,0|2,0,0]=3 1848 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [1,0,0,0,0,0|2,0,0]=3 1849 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [1,0,0,0,0,0|3,0,0]=4 1850 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [1,0,0,0,0,0|3,0,0]=4 1851 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [1,0,0,0,0,0|3,0,0]=4 1852 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [1,0,0,0,0,0|3,0,0]=4 1853 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [1,0,0,0,0,0|3,0,0]=4 1854 B14R0.393 CCCCCCCCCNC(=O)CSC 11a_100000212291_100000184570 [1,0,0,0,0,0|3,0,0]=4 1855 B14R0.393 CCCCCCCCCNC(=O)CSC 1626a_100000212291_100000184570 [1,0,0,0,0,0|3,0,0]=4 1856 B14R0.393 CCCCCCCCCNC(=O)CSC 240690a_100000212291_100000184570 [1,0,0,0,0,0|3,0,0]=4 1857 B14R0.393 CCCCCCCCCNC(=O)CSC 527a_100000212291_100000184570 [1,0,0,0,0,0|3,0,0]=4 1858 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [1,0,0,0,0,0|1,0,0]=2 1859 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [1,0,0,0,0,0|1,0,0]=2 1860 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [1,0,0,0,0,0|1,0,0]=2 1861 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [1,0,0,0,0,0|1,0,0]=2 1862 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [1,0,0,0,0,0|1,0,0]=2 1863 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [1,0,0,0,0,0|1,0,0]=2 1864 B14R0.393 CCCCCCCCCNC(=O)NNC 273464a_100000212291_100016993582 [1,0,0,0,0,0|2,0,0]=3 1865 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100000212291_100016993582 [1,0,0,0,0,0|2,0,0]=3 1866 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100016993582_100000212291 [1,0,0,0,0,0|2,0,0]=3 1867 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [1,0,0,0,0,0|2,0,0]=3 1868 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [1,0,0,0,0,0|1,0,0]=2 1869 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [1,0,0,0,0,0|1,0,0]=2 1870 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [1,0,0,0,0,0|1,0,0]=2 1871 B14R0.393 CCCCCCCCNCC(=O)NCO 2230a_100000229939_100000185155 [1,0,0,0,0,0|2,0,0]=3 1872 B14R0.393 CCCCCCCCNCC(=O)NCO 34a_100000229939_100000185155 [1,0,0,0,0,0|2,0,0]=3 1873 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [1,0,0,0,0,0|2,0,0]=3 1874 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [1,0,0,0,0,0|2,0,0]=3 1875 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [1,0,0,0,0,0|2,0,0]=3 1876 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [1,0,0,0,0,0|2,0,0]=3 1877 B14R0.393 CCCCCCCCOCC(=O)CCF 1458a_100000759886_100011217306 [1,0,0,0,0,0|3,0,0]=4 1878 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [1,0,0,0,0,0|3,0,0]=4 1879 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [1,0,0,0,0,0|1,0,0]=2 1880 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [1,0,0,0,0,0|1,0,0]=2 1881 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [1,0,0,0,0,0|1,0,0]=2 1882 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [1,0,0,0,0,0|1,0,0]=2 1883 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [1,0,0,0,0,0|1,0,0]=2 1884 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [1,0,0,0,0,0|2,0,0]=3 1885 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [1,0,0,0,0,0|2,0,0]=3 1886 B14R0.393 CCCCCCCCOCC(=O)NNC 22a_100016993582_100000759886 [1,0,0,0,0,0|2,0,0]=3 1887 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [1,0,0,0,0,0|2,0,0]=3 1888 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [1,0,0,0,0,0|2,0,0]=3 1889 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [1,0,0,0,0,0|2,0,0]=3 1890 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [1,0,0,0,0,0|2,0,0]=3 1891 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [1,0,0,0,0,0|1,0,0]=2 1892 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [1,0,0,0,0,0|1,0,0]=2 1893 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000185155_100000210317 [1,0,0,0,0,0|2,0,0]=3 1894 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000210759_100000185155 [1,0,0,0,0,0|2,0,0]=3 1895 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [1,0,0,0,0,0|2,0,0]=3 1896 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [1,0,0,0,0,0|2,0,0]=3 1897 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [1,0,0,0,0,0|1,0,0]=2 1898 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [1,0,0,0,0,0|1,0,0]=2 1899 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [1,0,0,0,0,0|2,0,0]=3 1900 B14R0.393 CCCCCCCNCOC(=O)CCC 2230a_100000229938_100000034017 [1,0,0,0,0,0|3,0,0]=4 1901 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [1,0,0,0,0,0|1,0,0]=2 1902 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [1,0,0,0,0,0|2,0,0]=3 1903 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [1,0,0,0,0,0|2,0,0]=3 1904 B14R0.393 CCCCCCCOCOC(=O)CCC 34a_100000210272_100000034017 [1,0,0,0,0,0|3,0,0]=4 1905 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [1,0,0,0,0,0|1,0,0]=2 1906 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [1,0,0,0,0,0|1,0,0]=2 1907 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [1,0,0,0,0,0|2,0,0]=3 1908 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [1,0,0,0,0,0|2,0,0]=3 1909 B14R0.393 CCCCCCCSCOC(=O)CCC 62a_100000210614_100000034017 [1,0,0,0,0,0|3,0,0]=4 1910 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [1,0,0,0,0,0|3,0,0]=4 1911 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [1,0,0,0,0,0|2,0,0]=3 1912 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [1,0,0,0,0,0|2,0,0]=3 1913 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [1,0,0,0,0,0|2,0,0]=3 1914 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [1,0,0,0,0,0|2,0,0]=3 1915 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [1,0,0,0,0,0|3,0,0]=4 1916 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [1,0,0,0,0,0|3,0,0]=4 1917 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [1,0,0,0,0,0|2,0,0]=3 1918 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [1,0,0,0,0,0|2,0,0]=3 1919 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [1,0,0,0,0,0|3,0,0]=4 1920 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [1,0,0,0,0,0|2,0,0]=3 1921 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [1,0,0,0,0,0|2,0,0]=3 1922 B14R0.393 CCCCCNCCOCC(=O)NCO 34a_100000224656_100000185155 [1,0,0,0,0,0|3,0,0]=4 1923 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [1,0,0,0,0,0|3,0,0]=4 1924 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [1,0,0,0,0,0|3,0,0]=4 1925 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [1,0,0,0,0,0|2,0,0]=3 1926 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [1,0,0,0,0,0|2,0,0]=3 1927 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [1,0,0,0,0,0|3,0,0]=4 1928 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [1,0,0,0,0,0|2,0,0]=3 1929 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [1,0,0,0,0,0|2,0,0]=3 1930 B14R0.393 CCCCCOCCOCC(=O)NCO 34a_100011215259_100000185155 [1,0,0,0,0,0|3,0,0]=4 1931 B14R0.393 CCCCCOCCOCC(=O)NCO 7a_100011215259_100000185155 [1,0,0,0,0,0|3,0,0]=4 1932 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [1,0,0,0,0,0|3,0,0]=4 1933 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [1,0,0,0,0,0|3,0,0]=4 1934 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [1,0,0,0,0,0|3,0,0]=4 1935 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [1,0,0,0,0,0|3,0,0]=4 1936 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [1,0,0,0,0,0|3,0,0]=4 1937 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [1,0,0,0,0,0|2,0,0]=3 1938 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [1,0,0,0,0,0|2,0,0]=3 1939 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [1,0,0,0,0,0|3,0,0]=4 1940 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [1,0,0,0,0,0|3,0,0]=4 1941 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [1,0,0,0,0,0|2,0,0]=3 1942 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [1,0,0,0,0,0|2,0,0]=3 1943 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [1,0,0,0,0,0|3,0,0]=4 1944 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [1,0,0,0,0,0|3,0,0]=4 1945 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [1,0,0,0,0,0|2,0,0]=3 1946 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [1,0,0,0,0,0|2,0,0]=3 1947 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [1,0,0,0,0,0|2,0,0]=3 1948 B14R0.393 CCCCOCCCNCC(=O)CCC 2230a_200000211371_100000747444 [1,0,0,0,0,0|3,0,0]=4 1949 B14R0.393 CCCCOCCCNCC(=O)NCC 2230a_200000211371_100000183381 [1,0,0,0,0,0|2,0,0]=3 1950 B14R0.393 CCCCOCCCNCC(=O)NCC 34a_200000211371_100000183381 [1,0,0,0,0,0|2,0,0]=3 1951 B14R0.393 CCCCOCCCNCC(=O)NCO 2230a_200000211371_100000185155 [1,0,0,0,0,0|3,0,0]=4 1952 B14R0.393 CCCCOCCCNCC(=O)NCO 34a_200000211371_100000185155 [1,0,0,0,0,0|3,0,0]=4 1953 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [1,0,0,0,0,0|3,0,0]=4 1954 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [1,0,0,0,0,0|3,0,0]=4 1955 B14R0.393 CCCCOCCCOCC(=O)CCC 7a_200011215613_100000747444 [1,0,0,0,0,0|3,0,0]=4 1956 B14R0.393 CCCCOCCCOCC(=O)NCC 34a_200011215613_100000183381 [1,0,0,0,0,0|2,0,0]=3 1957 B14R0.393 CCCCOCCCOCC(=O)NCC 7a_200011215613_100000183381 [1,0,0,0,0,0|2,0,0]=3 1958 B14R0.393 CCCCOCCCOCC(=O)NCO 34a_200011215613_100000185155 [1,0,0,0,0,0|3,0,0]=4 1959 B14R0.393 CCCCOCCCOCC(=O)NCO 7a_200011215613_100000185155 [1,0,0,0,0,0|3,0,0]=4 1960 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [1,0,0,0,0,0|3,0,0]=4 1961 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [1,0,0,0,0,0|3,0,0]=4 1962 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [1,0,0,0,0,0|3,0,0]=4 1963 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [1,0,0,0,0,0|3,0,0]=4 1964 B14R0.393 CCCCOCCNCCC(=O)NCC 34a_100025743525_100000743108 [1,0,0,0,0,0|2,0,0]=3 1965 B14R0.393 CCCCOCCOCCC(=O)NCC 7a_100000210238_100000737597 [1,0,0,0,0,0|2,0,0]=3 1966 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [1,0,0,0,0,0|3,0,0]=4 1967 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [1,0,0,0,0,0|3,0,0]=4 1968 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000737597_100000743108 [1,0,0,0,0,0|2,0,0]=3 1969 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000743108_100000737597 [1,0,0,0,0,0|2,0,0]=3 1970 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [1,0,0,0,0,0|3,0,0]=4 1971 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [1,0,0,0,0,0|3,0,0]=4 1972 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [1,0,0,0,0,0|3,0,0]=4 1973 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [1,0,0,0,0,0|3,0,0]=4 1974 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [1,0,0,0,0,0|2,0,0]=3 1975 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [1,0,0,0,0,0|2,0,0]=3 1976 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [1,0,0,0,0,0|3,0,0]=4 1977 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [1,0,0,0,0,0|3,0,0]=4 1978 B14R0.393 CCCCSCCNCCC(=O)NCC 2230a_100025743550_100000737597 [1,0,0,0,0,0|2,0,0]=3 1979 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [1,0,0,0,0,0|3,0,0]=4 1980 B14R0.393 CCCCSCCOCCC(=O)NCC 7a_200000230436_100000737597 [1,0,0,0,0,0|2,0,0]=3 1981 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [1,0,0,0,0,0|3,0,0]=4 1982 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [1,0,0,0,0,0|3,0,0]=4 1983 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [1,0,0,0,0,0|2,0,0]=3 1984 B14R0.393 CCCOCCCNCCC(=O)NCC 2230a_100011217757_100000737597 [1,0,0,0,0,0|2,0,0]=3 1985 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [1,0,0,0,0,0|3,0,0]=4 1986 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [1,0,0,0,0,0|3,0,0]=4 1987 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [1,0,0,0,0,0|3,0,0]=4 1988 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [1,0,0,0,0,0|3,0,0]=4 1989 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [1,0,0,0,0,0|3,0,0]=4 1990 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [1,0,0,0,0,0|3,0,0]=4 1991 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [1,0,0,0,0,0|3,0,0]=4 1992 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_100015525214_200011904461 [1,0,0,0,0,0|3,0,0]=4 1993 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_200011904461_100015525214 [1,0,0,0,0,0|3,0,0]=4 1994 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_100015525214_200011904461 [1,0,0,0,0,0|3,0,0]=4 1995 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_200011904461_100015525214 [1,0,0,0,0,0|3,0,0]=4 1996 B14R0.393 CCCOCCOCCNC(=O)NCC 512a_200011904461_100015525214 [1,0,0,0,0,0|3,0,0]=4 1997 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [1,0,0,0,0,0|3,0,0]=4 1998 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [1,0,0,0,0,0|3,0,0]=4 1999 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [1,0,0,0,0,0|2,0,0]=3 2000 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [1,0,0,0,0,0|3,0,0]=4 2001 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [1,0,0,0,0,0|3,0,0]=4 2002 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [1,0,0,0,0,0|3,0,0]=4 2003 B14R0.393 CCNC(=O)C=CCCCCCCCO 240690a_100015525214_100016988705 [1,0,0,0,0,0|1,0,2]=4 2004 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [1,0,0,0,0,0|1,0,0]=2 2005 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [1,0,0,0,0,0|1,0,0]=2 2006 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [1,0,0,0,0,0|1,0,0]=2 2007 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [1,0,0,0,0,0|1,0,0]=2 2008 B14R0.393 CCNC(=O)CCNCCCCCCF 34a_100025743525_100015922095 [1,0,0,0,0,0|2,0,0]=3 2009 B14R0.393 CCNC(=O)CCNCCCCCCO 2230a_100000686447_100000737597 [1,0,0,0,0,0|2,0,0]=3 2010 B14R0.393 CCNC(=O)CCNCCCCCCO 34a_100025743525_100000766143 [1,0,0,0,0,0|2,0,0]=3 2011 B14R0.393 CCNC(=O)CCNCCCCCOC 2230a_100000747528_100000737597 [1,0,0,0,0,0|2,0,0]=3 2012 B14R0.393 CCNC(=O)CCNCCOCCOC 2230a_100000745349_100000737597 [1,0,0,0,0,0|3,0,0]=4 2013 B14R0.393 CCNC(=O)CCNCCOCCOC 34a_100025743525_100000695917 [1,0,0,0,0,0|3,0,0]=4 2014 B14R0.393 CCNC(=O)CCOCCCCCCBr 7a_100011215345_100000737597 [1,0,0,0,0,0|2,0,0]=3 2015 B14R0.393 CCNC(=O)CCOCCCCCCCl 7a_100000766143_100000737597 [1,0,0,0,0,0|2,0,0]=3 2016 B14R0.393 CCNC(=O)CCOCCCCCCF 7a_100000732779_100000737597 [1,0,0,0,0,0|2,0,0]=3 2017 B14R0.393 CCNC(=O)CCOCCOCCOC 11a_100015525214_100012278103 [1,0,0,0,0,0|3,0,0]=4 2018 B14R0.393 CCNC(=O)CCOCCOCCOC 240690a_100015525214_100012278103 [1,0,0,0,0,0|3,0,0]=4 2019 B14R0.393 CCNC(=O)CCOCCOCCOC 527a_100015525214_100012278103 [1,0,0,0,0,0|3,0,0]=4 2020 B14R0.393 CCNC(=O)CCOCCOCCOC 7a_100011215163_100000737597 [1,0,0,0,0,0|3,0,0]=4 2021 B14R0.393 CCNC(=O)CCSCCCCCC#N 62a_100000737597_100009813376 [1,0,0,0,0,0|2,0,1]=4 2022 B14R0.393 CCNC(=O)CCSCCCCCC#N 62a_100009813376_100000737597 [1,0,0,0,0,0|2,0,1]=4 2023 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000139337_100000737597 [1,0,0,0,0,0|2,0,1]=4 2024 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000737597_100000139337 [1,0,0,0,0,0|2,0,1]=4 2025 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100000737597_100015922095 [1,0,0,0,0,0|2,0,0]=3 2026 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100015922095_100000737597 [1,0,0,0,0,0|2,0,0]=3 2027 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000737597_100000766143 [1,0,0,0,0,0|2,0,0]=3 2028 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000766143_100000737597 [1,0,0,0,0,0|2,0,0]=3 2029 B14R0.393 CCNC(=O)CCSCCOCCOC 62a_100000695917_100000737597 [1,0,0,0,0,0|3,0,0]=4 2030 B14R0.393 CCNC(=O)CCSCCOCCOC 62a_100000737597_100000695917 [1,0,0,0,0,0|3,0,0]=4 2031 B14R0.393 CCNC(=O)CNCCCCCCC#N 2230a_100016988866_100009813337 [1,0,0,0,0,0|2,0,1]=4 2032 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183381 [1,0,0,0,0,0|2,0,0]=3 2033 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100016988866_100000760002 [1,0,0,0,0,0|2,0,0]=3 2034 B14R0.393 CCNC(=O)CNCCCCCCCO 34a_100011996573_100000183381 [1,0,0,0,0,0|2,0,0]=3 2035 B14R0.393 CCNC(=O)CNCCCCCCOC 2230a_100016988866_100011998445 [1,0,0,0,0,0|2,0,0]=3 2036 B14R0.393 CCNC(=O)CNCCCOCCCO 2230a_100011310245_100000183381 [1,0,0,0,0,0|3,0,0]=4 2037 B14R0.393 CCNC(=O)CNCCCOCCCO 34a_100011310245_100000183381 [1,0,0,0,0,0|3,0,0]=4 2038 B14R0.393 CCNC(=O)CNCCCOCCOC 2230a_100000206027_100000183381 [1,0,0,0,0,0|3,0,0]=4 2039 B14R0.393 CCNC(=O)CNCCCOCCOC 2230a_100016988866_100011216529 [1,0,0,0,0,0|3,0,0]=4 2040 B14R0.393 CCNC(=O)CNCCCOCCOC 34a_100000206027_100000183381 [1,0,0,0,0,0|3,0,0]=4 2041 B14R0.393 CCNC(=O)CNCCOCCOCC 2230a_100016988866_100011211534 [1,0,0,0,0,0|3,0,0]=4 2042 B14R0.393 CCNC(=O)CNCCOCCOCC 2230a_100102712874_100000183381 [1,0,0,0,0,0|3,0,0]=4 2043 B14R0.393 CCNC(=O)CNCCOCCOCC 34a_100102712874_100000183381 [1,0,0,0,0,0|3,0,0]=4 2044 B14R0.393 CCNC(=O)COCCCCCCCBr 34a_100000760002_100000183381 [1,0,0,0,0,0|2,0,0]=3 2045 B14R0.393 CCNC(=O)COCCCCCCCBr 7a_100000760002_100000183381 [1,0,0,0,0,0|2,0,0]=3 2046 B14R0.393 CCNC(=O)COCCCCCCCN 34a_100011996573_100000183381 [1,0,0,0,0,0|2,0,0]=3 2047 B14R0.393 CCNC(=O)COCCCCCCOC 34a_200012092642_100000183381 [1,0,0,0,0,0|2,0,0]=3 2048 B14R0.393 CCNC(=O)COCCCCCCOC 7a_200012092642_100000183381 [1,0,0,0,0,0|2,0,0]=3 2049 B14R0.393 CCNC(=O)COCCCOCCCN 34a_100011310245_100000183381 [1,0,0,0,0,0|3,0,0]=4 2050 B14R0.393 CCNC(=O)COCCOCCOCC 34a_100000210240_100000183381 [1,0,0,0,0,0|3,0,0]=4 2051 B14R0.393 CCNC(=O)COCCOCCOCC 7a_100000210240_100000183381 [1,0,0,0,0,0|3,0,0]=4 2052 B14R0.393 CCNC(=O)CSCCCCCCC#N 62a_100000183381_100009813337 [1,0,0,0,0,0|2,0,1]=4 2053 B14R0.393 CCNC(=O)CSCCCCCCC#N 62a_100009813337_100000183381 [1,0,0,0,0,0|2,0,1]=4 2054 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000183381_100000760002 [1,0,0,0,0,0|2,0,0]=3 2055 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000760002_100000183381 [1,0,0,0,0,0|2,0,0]=3 2056 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100000183381_100011998445 [1,0,0,0,0,0|2,0,0]=3 2057 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100011998445_100000183381 [1,0,0,0,0,0|2,0,0]=3 2058 B14R0.393 CCNC(=O)CSCCCOCCOC 62a_100000183381_100011216529 [1,0,0,0,0,0|3,0,0]=4 2059 B14R0.393 CCNC(=O)CSCCCOCCOC 62a_100011216529_100000183381 [1,0,0,0,0,0|3,0,0]=4 2060 B14R0.393 CCNC(=O)CSCCOCCOCC 62a_100000183381_100011211534 [1,0,0,0,0,0|3,0,0]=4 2061 B14R0.393 CCNC(=O)CSCCOCCOCC 62a_100011211534_100000183381 [1,0,0,0,0,0|3,0,0]=4 2062 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_100015525214_102515433106 [1,0,0,0,0,0|2,0,0]=3 2063 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_102515433106_100015525214 [1,0,0,0,0,0|2,0,0]=3 2064 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_100015525214_102515433106 [1,0,0,0,0,0|2,0,0]=3 2065 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_102515433106_100015525214 [1,0,0,0,0,0|2,0,0]=3 2066 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_100015525214_102515433106 [1,0,0,0,0,0|2,0,0]=3 2067 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_102515433106_100015525214 [1,0,0,0,0,0|2,0,0]=3 2068 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [1,0,0,0,0,0|2,0,0]=3 2069 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [1,0,0,0,0,0|2,0,0]=3 2070 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [1,0,0,0,0,0|2,0,0]=3 2071 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [1,0,0,0,0,0|2,0,0]=3 2072 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [1,0,0,0,0,0|2,0,0]=3 2073 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [1,0,0,0,0,0|2,0,0]=3 2074 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [1,0,0,0,0,0|2,0,0]=3 2075 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [1,0,0,0,0,0|2,0,0]=3 2076 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [1,0,0,0,0,0|3,0,0]=4 2077 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [1,0,0,0,0,0|3,0,0]=4 2078 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [1,0,0,0,0,0|3,0,0]=4 2079 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [1,0,0,0,0,0|3,0,0]=4 2080 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [1,0,0,0,0,0|3,0,0]=4 2081 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [1,0,0,0,0,0|3,0,0]=4 2082 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [1,0,0,0,0,0|3,0,0]=4 2083 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [1,0,0,0,0,0|3,0,0]=4 2084 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [1,0,0,0,0,0|3,0,0]=4 2085 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [1,0,0,0,0,0|3,0,0]=4 2086 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [1,0,0,0,0,0|3,0,0]=4 2087 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [1,0,0,0,0,0|3,0,0]=4 2088 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [1,0,0,0,0,0|3,0,0]=4 2089 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [1,0,0,0,0,0|3,0,0]=4 2090 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [1,0,0,0,0,0|3,0,0]=4 2091 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [1,0,0,0,0,0|3,0,0]=4 2092 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [1,0,0,0,0,0|3,0,0]=4 2093 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [1,0,0,0,0,0|3,0,0]=4 2094 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [1,0,0,0,0,0|3,0,0]=4 2095 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [1,0,0,0,0,0|3,0,0]=4 2096 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [1,0,0,0,0,0|3,0,0]=4 2097 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [1,0,0,0,0,0|3,0,0]=4 2098 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [1,0,0,0,0,0|3,0,0]=4 2099 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [1,0,0,0,0,0|3,0,0]=4 2100 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [1,0,0,0,0,0|3,0,0]=4 2101 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [1,0,0,0,0,0|3,0,0]=4 2102 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [1,0,0,0,0,0|3,0,0]=4 2103 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [1,0,0,0,0,0|3,0,0]=4 2104 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [1,0,0,0,0,0|3,0,0]=4 2105 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [1,0,0,0,0,0|3,0,0]=4 2106 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [1,0,0,0,0,0|3,0,0]=4 2107 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [1,0,0,0,0,0|3,0,0]=4 2108 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [1,0,0,0,0,0|3,0,0]=4 2109 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [1,0,0,0,0,0|3,0,0]=4 2110 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [1,0,0,0,0,0|3,0,0]=4 2111 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [1,0,0,0,0,0|3,0,0]=4 2112 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [1,0,0,0,0,0|3,0,0]=4 2113 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [1,0,0,0,0,0|3,0,0]=4 2114 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [1,0,0,0,0,0|3,0,0]=4 2115 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [1,0,0,0,0,0|3,0,0]=4 2116 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [1,0,0,0,0,0|3,0,0]=4 2117 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [1,0,0,0,0,0|3,0,0]=4 2118 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [1,0,0,0,0,0|3,0,0]=4 2119 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [1,0,0,0,0,0|3,0,0]=4 2120 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [1,0,0,0,0,0|3,0,0]=4 2121 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [1,0,0,0,0,0|3,0,0]=4 2122 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [1,0,0,0,0,0|3,0,0]=4 2123 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [1,0,0,0,0,0|3,0,0]=4 2124 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [1,0,0,0,0,0|3,0,0]=4 2125 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [1,0,0,0,0,0|3,0,0]=4 2126 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [1,0,0,0,0,0|3,0,0]=4 2127 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [1,0,0,0,0,0|3,0,0]=4 2128 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [1,0,0,0,0,0|3,0,0]=4 2129 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [1,0,0,0,0,0|3,0,0]=4 2130 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [1,0,0,0,0,0|3,0,0]=4 2131 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [1,0,0,0,0,0|3,0,0]=4 2132 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [1,0,0,0,0,0|3,0,0]=4 2133 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [1,0,0,0,0,0|3,0,0]=4 2134 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [1,0,0,0,0,0|3,0,0]=4 2135 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [1,0,0,0,0,0|3,0,0]=4 2136 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [1,0,0,0,0,0|3,0,0]=4 2137 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [1,0,0,0,0,0|3,0,0]=4 2138 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [1,0,0,0,0,0|3,0,0]=4 2139 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [1,0,0,0,0,0|3,0,0]=4 2140 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [1,0,0,0,0,0|3,0,0]=4 2141 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [1,0,0,0,0,0|3,0,0]=4 2142 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [1,0,0,0,0,0|3,0,0]=4 2143 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [1,0,0,0,0,0|3,0,0]=4 2144 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [1,0,0,0,0,0|3,0,0]=4 2145 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [1,0,0,0,0,0|3,0,0]=4 2146 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [1,0,0,0,0,0|3,0,0]=4 2147 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [1,0,0,0,0,0|3,0,0]=4 2148 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [1,0,0,0,0,0|3,0,0]=4 2149 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [1,0,0,0,0,0|3,0,0]=4 2150 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [1,0,0,0,0,0|3,0,0]=4 2151 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [1,0,0,0,0,0|3,0,0]=4 2152 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [1,0,0,0,0,0|3,0,0]=4 2153 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [1,0,0,0,0,0|3,0,0]=4 2154 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [1,0,0,0,0,0|3,0,0]=4 2155 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [1,0,0,0,0,0|3,0,0]=4 2156 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [1,0,0,0,0,0|3,0,0]=4 2157 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [1,0,0,0,0,0|3,0,0]=4 2158 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [1,0,0,0,0,0|3,0,0]=4 2159 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [1,0,0,0,0,0|3,0,0]=4 2160 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [1,0,0,0,0,0|3,0,0]=4 2161 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [1,0,0,0,0,0|3,0,0]=4 2162 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [1,0,0,0,0,0|3,0,0]=4 2163 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [1,0,0,0,0,0|3,0,0]=4 2164 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [1,0,0,0,0,0|3,0,0]=4 2165 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [1,0,0,0,0,0|3,0,0]=4 2166 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [1,0,0,0,0,0|3,0,0]=4 2167 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [1,0,0,0,0,0|3,0,0]=4 2168 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [1,0,0,0,0,0|3,0,0]=4 2169 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [1,0,0,0,0,0|3,0,0]=4 2170 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [1,0,0,0,0,0|3,0,0]=4 2171 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [1,0,0,0,0,0|3,0,0]=4 2172 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [1,0,0,0,0,0|3,0,0]=4 2173 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [1,0,0,0,0,0|3,0,0]=4 2174 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [1,0,0,0,0,0|3,0,0]=4 2175 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [1,0,0,0,0,0|3,0,0]=4 2176 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [1,0,0,0,0,0|3,0,0]=4 2177 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [1,0,0,0,0,0|3,0,0]=4 2178 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [1,0,0,0,0,0|3,0,0]=4 2179 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [1,0,0,0,0,0|3,0,0]=4 2180 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [1,0,0,0,0,0|3,0,0]=4 2181 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [1,0,0,0,0,0|3,0,0]=4 2182 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [1,0,0,0,0,0|3,0,0]=4 2183 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [1,0,0,0,0,0|3,0,0]=4 2184 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [1,0,0,0,0,0|3,0,0]=4 2185 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [1,0,0,0,0,0|2,0,0]=3 2186 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [1,0,0,0,0,0|3,0,0]=4 2187 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [1,0,0,0,0,0|3,0,0]=4 2188 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [1,0,0,0,0,0|3,0,0]=4 2189 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [1,0,0,0,0,0|3,0,0]=4 2190 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [1,0,0,0,0,0|3,0,0]=4 2191 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [1,0,0,0,0,0|3,0,0]=4 2192 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [1,0,0,0,0,0|3,0,0]=4 2193 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [1,0,0,0,0,0|3,0,0]=4 2194 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [1,0,0,0,0,0|3,0,0]=4 2195 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [1,0,0,0,0,0|3,0,0]=4 2196 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [1,0,0,0,0,0|3,0,0]=4 2197 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [1,0,0,0,0,0|3,0,0]=4 2198 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [1,0,0,0,0,0|3,0,0]=4 2199 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [1,0,0,0,0,0|3,0,0]=4 2200 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [1,0,0,0,0,0|3,0,0]=4 2201 B14R0.393 CNNC(=O)CCCCCCCCCF 22a_100016993582_200009909015 [1,0,0,0,0,0|2,0,0]=3 2202 B14R0.393 CNNC(=O)CCCCCCCCCO 22a_100016993582_100000032657 [1,0,0,0,0,0|2,0,0]=3 2203 B14R0.393 CNNC(=O)NCCCCCCCCO 273464a_102515433106_100016993582 [1,0,0,0,0,0|3,0,0]=4 2204 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_100016993582_102515433106 [1,0,0,0,0,0|3,0,0]=4 2205 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_102515433106_100016993582 [1,0,0,0,0,0|3,0,0]=4 2206 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [1,0,0,0,0,0|3,0,0]=4 2207 B14R0.393 COCCCCCCOCC(=O)NCO 34a_200012092642_100000185155 [1,0,0,0,0,0|3,0,0]=4 2208 B14R0.393 COCCCCCCOCC(=O)NCO 7a_200012092642_100000185155 [1,0,0,0,0,0|3,0,0]=4 2209 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100000185155_100011998445 [1,0,0,0,0,0|3,0,0]=4 2210 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100011998445_100000185155 [1,0,0,0,0,0|3,0,0]=4 2211 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [1,0,0,0,0,0|3,0,0]=4 2212 B14R0.393 NCCCCCCCOCC(=O)NCO 34a_100011996573_100000185155 [1,0,0,0,0,0|3,0,0]=4 2213 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [1,0,0,0,0,0|3,0,0]=4 2214 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [1,0,0,0,0,0|3,0,0]=4 2215 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [1,0,0,0,0,0|3,0,0]=4 2216 B14R0.393 O=C(CNCCCCCCCO)NCO 2230a_100011996573_100000185155 [1,0,0,0,0,0|3,0,0]=4 2217 B14R0.393 O=C(CNCCCCCCCO)NCO 34a_100011996573_100000185155 [1,0,0,0,0,0|3,0,0]=4 2218 B14R0.393 O=C(COCCCCCCCBr)NCO 34a_100000760002_100000185155 [1,0,0,0,0,0|3,0,0]=4 2219 B14R0.393 O=C(COCCCCCCCBr)NCO 7a_100000760002_100000185155 [1,0,0,0,0,0|3,0,0]=4 2220 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000185155_100000760002 [1,0,0,0,0,0|3,0,0]=4 2221 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000760002_100000185155 [1,0,0,0,0,0|3,0,0]=4 2222 B16R0.41 C=C(C)CCOCCCCCCC(=O)OCC 34a_100000764851_100009814379 [0,1,0,0,0,0|2,0,1]=4 2223 B16R0.41 C=C(C)CCSCCCCCCC(=O)OCC 62a_100000730704_100009814379 [0,1,0,0,0,0|2,0,1]=4 2224 B16R0.41 C=C(C)COCCCCCCCC(=O)OCC 34a_100000210245_100009991516 [0,1,0,0,0,0|2,0,1]=4 2225 B16R0.41 C=C(C)CSCCCCCCCC(=O)OCC 62a_100000748629_100009991516 [0,1,0,0,0,0|2,0,1]=4 2226 B16R0.41 CC(C)CCCCCCCOCC(=O)NCO 34a_200000210741_100000185155 [0,1,0,0,0,0|2,0,0]=3 2227 B16R0.41 CC(C)CCCCCCCOCC(=O)NCO 7a_200000210741_100000185155 [0,1,0,0,0,0|2,0,0]=3 2228 B16R0.41 CCCC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747444 [0,1,0,0,0,0|2,0,0]=3 2229 B16R0.41 CCCC(=O)OCNCCCCCCC(C)C 2230a_100000211014_100000034017 [0,1,0,0,0,0|3,0,0]=4 2230 B16R0.41 CCCC(=O)OCNCCCCCCC(C)C 34a_100000211014_100000034017 [0,1,0,0,0,0|3,0,0]=4 2231 B16R0.41 CCNC(=O)CCNCCCCCCB(O)O 34a_100025743525_100009817187 [0,1,0,0,0,0|3,0,0]=4 2232 B16R0.41 CCNC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000737597 [0,1,0,0,0,0|1,0,0]=2 2233 B16R0.41 CCNC(=O)CCNCCCCCNC(=O)C 2230a_200012022750_100000737597 [0,1,0,0,0,0|2,0,1]=4 2234 B16R0.41 CCNC(=O)CCNCCCCCOC(=O)C 34a_100025743525_100000033007 [0,1,0,0,0,0|2,0,1]=4 2235 B16R0.41 CCNC(=O)CCSCCCCCCB(O)O 62a_100000737597_100009817187 [0,1,0,0,0,0|3,0,0]=4 2236 B16R0.41 CCNC(=O)CCSCCCCCCB(O)O 62a_100009817187_100000737597 [0,1,0,0,0,0|3,0,0]=4 2237 B16R0.41 CCNC(=O)CCSCCCCCOC(=O)C 62a_100000033007_100000737597 [0,1,0,0,0,0|2,0,1]=4 2238 B16R0.41 CCNC(=O)CCSCCCCCOC(=O)C 62a_100000737597_100000033007 [0,1,0,0,0,0|2,0,1]=4 2239 B16R0.41 CCNC(=O)CNCCCCCCNC(=O)C 2230a_200011996284_100000183381 [0,1,0,0,0,0|2,0,1]=4 2240 B16R0.41 CCNC(=O)CNCCCCCCNC(=O)C 34a_200011996284_100000183381 [0,1,0,0,0,0|2,0,1]=4 2241 B16R0.41 CCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183381 [0,1,0,0,0,0|1,0,0]=2 2242 B16R0.41 CCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183381 [0,1,0,0,0,0|1,0,0]=2 2243 B16R0.41 CCOC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009828014 [0,1,0,0,0,0|1,0,1]=3 2244 B16R0.41 CCOC(=O)CCCCCCCCCN(C)C 2230a_100102631434_100009828014 [0,1,0,0,0,0|2,0,0]=3 2245 B16R0.41 CCOC(=O)CCCCCCCCCN(C)C 269982a_100102631434_100009828014 [0,1,0,0,0,0|2,0,0]=3 2246 B16R0.41 CCOC(=O)CCCCCCCCNC(C)C 2230a_100138425928_100010175975 [0,1,0,0,0,0|2,0,0]=3 2247 B16R0.41 CCOC(=O)CCCCCCCCNC(C)C 34a_100138425928_100010175975 [0,1,0,0,0,0|2,0,0]=3 2248 B16R0.41 CCOC(=O)CCCCCCCCOC(C)C 34a_100000212225_100010175975 [0,1,0,0,0,0|2,0,0]=3 2249 B16R0.41 CCOC(=O)CCCCCCCCSC(C)C 62a_100000210206_100010175975 [0,1,0,0,0,0|2,0,0]=3 2250 B16R0.41 CCOC(=O)CCCCCCCNCC(C)C 2230a_100000210953_100009991516 [0,1,0,0,0,0|2,0,0]=3 2251 B16R0.41 CCOC(=O)CCCCCCCNCC(C)C 34a_100000210953_100009991516 [0,1,0,0,0,0|2,0,0]=3 2252 B16R0.41 CCOC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100009991516 [0,1,0,0,0,0|2,0,0]=3 2253 B16R0.41 CCOC(=O)CCCCCCCNCC(C)O 34a_100000210904_100009991516 [0,1,0,0,0,0|2,0,0]=3 2254 B16R0.41 CCOC(=O)CCCCCCCNCC(F)F 34a_100000765723_100009991516 [0,1,0,0,0,0|3,0,0]=4 2255 B16R0.41 CCOC(=O)CCCCCCCOCC(=O)C 34a_100000211253_100009991516 [0,1,0,0,0,0|2,0,1]=4 2256 B16R0.41 CCOC(=O)CCCCCCCOCC(C)Br 34a_100012180447_100009991516 [0,1,0,0,0,0|2,0,0]=3 2257 B16R0.41 CCOC(=O)CCCCCCCOCC(C)C 34a_100000210257_100009991516 [0,1,0,0,0,0|2,0,0]=3 2258 B16R0.41 CCOC(=O)CCCCCCCOCC(C)F 34a_100015925927_100009991516 [0,1,0,0,0,0|2,0,0]=3 2259 B16R0.41 CCOC(=O)CCCCCCCOCC(F)F 34a_100000743014_100009991516 [0,1,0,0,0,0|3,0,0]=4 2260 B16R0.41 CCOC(=O)CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100009991516 [0,1,0,0,0,0|2,0,0]=3 2261 B16R0.41 CCOC(=O)CCCCCCCOC[C@@H](C)N 34a_100000737577_100009991516 [0,1,0,0,0,0|2,0,0]=3 2262 B16R0.41 CCOC(=O)CCCCCCCSCC(C)C 62a_100000210624_100009991516 [0,1,0,0,0,0|2,0,0]=3 2263 B16R0.41 CCOC(=O)CCCCCCCSCC(C)O 62a_100011218427_100009991516 [0,1,0,0,0,0|2,0,0]=3 2264 B16R0.41 CCOC(=O)CCCCCCCSCC(F)F 62a_100011934356_100009991516 [0,1,0,0,0,0|3,0,0]=4 2265 B16R0.41 CCOC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100009991516 [0,1,0,0,0,0|2,0,0]=3 2266 B16R0.41 CCOC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009814379 [0,1,0,0,0,0|2,0,0]=3 2267 B16R0.41 CCOC(=O)CCCCCCOCCC(=O)C 34a_100000759926_100009814379 [0,1,0,0,0,0|2,0,1]=4 2268 B16R0.41 CCOC(=O)CCCCCCOCCC(=O)C 7a_100000759926_100009814379 [0,1,0,0,0,0|2,0,1]=4 2269 B16R0.41 CCOC(=O)CCCCCCOCCC(C)Br 34a_100009893172_100009814379 [0,1,0,0,0,0|2,0,0]=3 2270 B16R0.41 CCOC(=O)CCCCCCOCCC(C)C 34a_100000210254_100009814379 [0,1,0,0,0,0|2,0,0]=3 2271 B16R0.41 CCOC(=O)CCCCCCOCCC(C)C 7a_100000210254_100009814379 [0,1,0,0,0,0|2,0,0]=3 2272 B16R0.41 CCOC(=O)CCCCCCOCCC(F)F 34a_100103093639_100009814379 [0,1,0,0,0,0|3,0,0]=4 2273 B16R0.41 CCOC(=O)CCCCCCOCC[C@@H](C)N 34a_100000706166_100009814379 [0,1,0,0,0,0|2,0,0]=3 2274 B16R0.41 CCOC(=O)CCCCCCSCCC(=O)C 62a_100000053229_100009814379 [0,1,0,0,0,0|2,0,1]=4 2275 B16R0.41 CCOC(=O)CCCCCCSCCC(C)C 62a_100000210312_100009814379 [0,1,0,0,0,0|2,0,0]=3 2276 B16R0.41 CCOC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009814379 [0,1,0,0,0,0|2,0,0]=3 2277 B16R0.41 CCOC(=O)CCCCCCSCOC(C)C 62a_100000709892_100009814379 [0,1,0,0,0,0|3,0,0]=4 2278 B16R0.41 CCOC(=O)CCCCCNCCCC(C)C 2230a_200000737386_100000755133 [0,1,0,0,0,0|2,0,0]=3 2279 B16R0.41 CCOC(=O)CCCCCNCCCC(C)C 34a_200000737386_100000755133 [0,1,0,0,0,0|2,0,0]=3 2280 B16R0.41 CCOC(=O)CCCCCNCCCS(=O)C 2230a_200000753449_100000755133 [0,1,0,0,0,0|3,0,0]=4 2281 B16R0.41 CCOC(=O)CCCCCNCCOC(C)C 2230a_100000701111_100000755133 [0,1,0,0,0,0|3,0,0]=4 2282 B16R0.41 CCOC(=O)CCCCCNCCOC(C)C 34a_100000701111_100000755133 [0,1,0,0,0,0|3,0,0]=4 2283 B16R0.41 CCOC(=O)CCCCCNCCSC(C)C 2230a_100000731138_100000755133 [0,1,0,0,0,0|3,0,0]=4 2284 B16R0.41 CCOC(=O)CCCCCNCCSC(C)C 34a_100000731138_100000755133 [0,1,0,0,0,0|3,0,0]=4 2285 B16R0.41 CCOC(=O)CCCCCOCCCC(=O)C 34a_100000759063_100000755133 [0,1,0,0,0,0|2,0,1]=4 2286 B16R0.41 CCOC(=O)CCCCCOCCCC(=O)C 7a_100000759063_100000755133 [0,1,0,0,0,0|2,0,1]=4 2287 B16R0.41 CCOC(=O)CCCCCOCCCC(=O)C 7a_100011214988_100011215641 [0,1,0,0,0,0|2,0,1]=4 2288 B16R0.41 CCOC(=O)CCCCCOCCCC(C)C 34a_100000210774_100000755133 [0,1,0,0,0,0|2,0,0]=3 2289 B16R0.41 CCOC(=O)CCCCCOCCCC(C)C 7a_100000210774_100000755133 [0,1,0,0,0,0|2,0,0]=3 2290 B16R0.41 CCOC(=O)CCCCCOCCCC(C)C 7a_100011214988_100011214892 [0,1,0,0,0,0|2,0,0]=3 2291 B16R0.41 CCOC(=O)CCCCCOCCCC(C)O 7a_100011214988_200000718107 [0,1,0,0,0,0|2,0,0]=3 2292 B16R0.41 CCOC(=O)CCCCCOCCCN(C)C 7a_100011214988_100000757444 [0,1,0,0,0,0|3,0,0]=4 2293 B16R0.41 CCOC(=O)CCCCCOCCNC(C)C 34a_100000224655_100000755133 [0,1,0,0,0,0|3,0,0]=4 2294 B16R0.41 CCOC(=O)CCCCCOCCOC(C)C 34a_100000211219_100000755133 [0,1,0,0,0,0|3,0,0]=4 2295 B16R0.41 CCOC(=O)CCCCCOCCOC(C)C 7a_100000211219_100000755133 [0,1,0,0,0,0|3,0,0]=4 2296 B16R0.41 CCOC(=O)CCCCCOCCOC(C)C 7a_100011214988_100000211751 [0,1,0,0,0,0|3,0,0]=4 2297 B16R0.41 CCOC(=O)CCCCCOCCSC(C)C 34a_200011212901_100000755133 [0,1,0,0,0,0|3,0,0]=4 2298 B16R0.41 CCOC(=O)CCCCCOCCSC(C)C 7a_100011214988_100000730970 [0,1,0,0,0,0|3,0,0]=4 2299 B16R0.41 CCOC(=O)CCCCCOCCSC(C)C 7a_200011212901_100000755133 [0,1,0,0,0,0|3,0,0]=4 2300 B16R0.41 CCOC(=O)CCCCCSCCCC(=O)C 62a_100000755133_100011215641 [0,1,0,0,0,0|2,0,1]=4 2301 B16R0.41 CCOC(=O)CCCCCSCCCC(=O)C 62a_100011215641_100000755133 [0,1,0,0,0,0|2,0,1]=4 2302 B16R0.41 CCOC(=O)CCCCCSCCCC(C)C 62a_100000755133_100011214892 [0,1,0,0,0,0|2,0,0]=3 2303 B16R0.41 CCOC(=O)CCCCCSCCCC(C)C 62a_100011214892_100000755133 [0,1,0,0,0,0|2,0,0]=3 2304 B16R0.41 CCOC(=O)CCCCCSCCCC(C)O 62a_100000755133_200000718107 [0,1,0,0,0,0|2,0,0]=3 2305 B16R0.41 CCOC(=O)CCCCCSCCCC(C)O 62a_200000718107_100000755133 [0,1,0,0,0,0|2,0,0]=3 2306 B16R0.41 CCOC(=O)CCCCCSCCCN(C)C 62a_100000755133_100000757444 [0,1,0,0,0,0|3,0,0]=4 2307 B16R0.41 CCOC(=O)CCCCCSCCOC(C)C 62a_100000211751_100000755133 [0,1,0,0,0,0|3,0,0]=4 2308 B16R0.41 CCOC(=O)CCCCCSCCOC(C)C 62a_100000755133_100000211751 [0,1,0,0,0,0|3,0,0]=4 2309 B16R0.41 CCOC(=O)CCCCCSCCSC(C)C 62a_100000730970_100000755133 [0,1,0,0,0,0|3,0,0]=4 2310 B16R0.41 CCOC(=O)CCCCCSCCSC(C)C 62a_100000755133_100000730970 [0,1,0,0,0,0|3,0,0]=4 2311 B16R0.41 CCOC(=O)CCCCNCCCOC(C)C 2230a_100000737246_100000750268 [0,1,0,0,0,0|3,0,0]=4 2312 B16R0.41 CCOC(=O)CCCCNCCCOC(C)C 34a_100000737246_100000750268 [0,1,0,0,0,0|3,0,0]=4 2313 B16R0.41 CCOC(=O)CCCCOCCCCC(C)C 34a_100011214890_100000750268 [0,1,0,0,0,0|2,0,0]=3 2314 B16R0.41 CCOC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000750268 [0,1,0,0,0,0|2,0,0]=3 2315 B16R0.41 CCOC(=O)CCCCOCCCNC(C)C 34a_100000182298_100000750268 [0,1,0,0,0,0|3,0,0]=4 2316 B16R0.41 CCOC(=O)CCCCOCCNCC(C)C 34a_100015185251_100000750268 [0,1,0,0,0,0|3,0,0]=4 2317 B16R0.41 CCOC(=O)CCCCOCCOCC(C)C 34a_100000703358_100000750268 [0,1,0,0,0,0|3,0,0]=4 2318 B16R0.41 CCOC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000750268 [0,1,0,0,0,0|3,0,0]=4 2319 B16R0.41 CCOC(=O)CCCCOCCSCC(C)C 34a_200000230437_100000750268 [0,1,0,0,0,0|3,0,0]=4 2320 B16R0.41 CCOC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000750268 [0,1,0,0,0,0|3,0,0]=4 2321 B16R0.41 CCOC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000750268 [0,1,0,0,0,0|2,0,1]=4 2322 B16R0.41 CCOC(=O)CCCCSCCCCC(=O)C 62a_100000750268_100000735457 [0,1,0,0,0,0|2,0,1]=4 2323 B16R0.41 CCOC(=O)CCCCSCCCCC(C)C 62a_100000750268_100011216152 [0,1,0,0,0,0|2,0,0]=3 2324 B16R0.41 CCOC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000750268 [0,1,0,0,0,0|2,0,0]=3 2325 B16R0.41 CCOC(=O)CCCCSCCCCN(C)C 62a_100000750268_100000690147 [0,1,0,0,0,0|3,0,0]=4 2326 B16R0.41 CCOC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100009991533 [0,1,0,0,0,0|2,0,0]=3 2327 B16R0.41 CCOC(=O)CCCNCCCCCC(C)C 34a_100011290863_100009991533 [0,1,0,0,0,0|2,0,0]=3 2328 B16R0.41 CCOC(=O)CCCNCCCOCC(C)C 2230a_100000205972_100009991533 [0,1,0,0,0,0|3,0,0]=4 2329 B16R0.41 CCOC(=O)CCCNCCCOCC(C)C 34a_100000205972_100009991533 [0,1,0,0,0,0|3,0,0]=4 2330 B16R0.41 CCOC(=O)CCCOCCCCCC(C)C 34a_100011995859_100009991533 [0,1,0,0,0,0|2,0,0]=3 2331 B16R0.41 CCOC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215271 [0,1,0,0,0,0|2,0,0]=3 2332 B16R0.41 CCOC(=O)CCCOCCCCCC(C)C 7a_100012001163_100000210682 [0,1,0,0,0,0|2,0,0]=3 2333 B16R0.41 CCOC(=O)CCCOCCCCNC(C)C 34a_100011521146_100009991533 [0,1,0,0,0,0|3,0,0]=4 2334 B16R0.41 CCOC(=O)CCCSCCCCCC(C)C 62a_100000210682_100009991533 [0,1,0,0,0,0|2,0,0]=3 2335 B16R0.41 CCOC(=O)CCCSCCCCCC(C)C 62a_100009991533_100000210682 [0,1,0,0,0,0|2,0,0]=3 2336 B16R0.41 CCOC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100011206558 [0,1,0,0,0,0|2,0,0]=3 2337 B16R0.41 CCOC(=O)CCNCCCCCCC(C)C 34a_100000211014_100000765890 [0,1,0,0,0,0|2,0,0]=3 2338 B16R0.41 CCOC(=O)CCOCCCCCNC(C)C 34a_100011629493_100000765890 [0,1,0,0,0,0|3,0,0]=4 2339 B16R0.41 CCOC(=O)COCCCCCCCC(C)C 34a_200000210741_100000188475 [0,1,0,0,0,0|2,0,0]=3 2340 B16R0.41 CCOC(=O)COCCCCCCCC(C)C 7a_200000210741_100000188475 [0,1,0,0,0,0|2,0,0]=3 2341 B16R0.41 CCOC(=O)COCCCNCCCC(C)C 2230a_200000737386_100009893628 [0,1,0,0,0,0|3,0,0]=4 2342 B16R0.41 CCOC(=O)COCCCNCCCC(C)C 34a_200000737386_100009893628 [0,1,0,0,0,0|3,0,0]=4 2343 B16R0.41 CCOC(=O)COCCCOCCCC(C)C 34a_100000210774_100009893628 [0,1,0,0,0,0|3,0,0]=4 2344 B16R0.41 CCOC(=O)COCCCOCCCC(C)C 7a_100000210774_100009893628 [0,1,0,0,0,0|3,0,0]=4 2345 B16R0.41 CCOC(=O)COCCCSCCCC(C)C 62a_100009893628_100011214892 [0,1,0,0,0,0|3,0,0]=4 2346 B16R0.41 CCOC(=O)COCCCSCCCC(C)C 62a_100011214892_100009893628 [0,1,0,0,0,0|3,0,0]=4 2347 B16R0.41 CCOC(=O)COCCCSCCCC(C)O 62a_100009893628_200000718107 [0,1,0,0,0,0|3,0,0]=4 2348 B16R0.41 CCOC(=O)COCCCSCCCC(C)O 62a_200000718107_100009893628 [0,1,0,0,0,0|3,0,0]=4 2349 B16R0.41 CCOC(=O)COCCOCCCCC(C)C 34a_100011214890_100000088970 [0,1,0,0,0,0|3,0,0]=4 2350 B16R0.41 CCOC(=O)COCCOCCCCC(C)C 7a_100011214890_100000088970 [0,1,0,0,0,0|3,0,0]=4 2351 B16R0.41 CCOC(=O)COCCSCCCCC(C)C 62a_100000088970_100011216152 [0,1,0,0,0,0|3,0,0]=4 2352 B16R0.41 CCOC(=O)COCCSCCCCC(C)C 62a_100011216152_100000088970 [0,1,0,0,0,0|3,0,0]=4 2353 B16R0.41 CCOC(=O)CSCCOCCCCC(C)C 7a_200000230590_100011216152 [0,1,0,0,0,0|3,0,0]=4 2354 B16R0.41 CCOC(=O)NCCOCCCCCC(C)C 34a_100000158857_100000210682 [0,1,0,0,0,0|3,0,0]=4 2355 B16R0.41 CCOC(=O)NCCOCCCCCC(C)C 7a_100011995859_200011445536 [0,1,0,0,0,0|3,0,0]=4 2356 B16R0.41 CCOC(=O)NCCSCCCCCC(C)C 62a_100000210682_200011445536 [0,1,0,0,0,0|3,0,0]=4 2357 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000184674 [0,1,0,0,0,0|1,0,2]=4 2358 B16R0.61 C#CCC(=O)CCCCCCCCCCCC 1458a_100011220946_100000759014 [0,1,0,0,0,0|1,0,2]=4 2359 B16R0.61 C#CCC(=O)CCCCCCCCCCCO 1458a_100011220946_100009812471 [0,1,0,0,0,0|1,0,2]=4 2360 B16R0.61 C#CCC(=O)NCCCCCCCCCCC 1626a_200011215754_100011220946 [0,1,0,0,0,0|1,0,2]=4 2361 B16R0.61 C#CCC(=O)NCCCCCCCCCCC 527a_200011215754_100011220946 [0,1,0,0,0,0|1,0,2]=4 2362 B16R0.61 C#CCCCCCCCCOCC(=O)CCC 7a_100000065265_100000747444 [0,1,0,0,0,0|1,0,2]=4 2363 B16R0.61 C#CCCCCCCCCOCC(=O)NCC 34a_100000065265_100000183381 [0,1,0,0,0,0|0,0,2]=3 2364 B16R0.61 C#CCCCCCCCCOCC(=O)NCC 7a_100000065265_100000183381 [0,1,0,0,0,0|0,0,2]=3 2365 B16R0.61 C#CCCCCCCCCOCC(=O)NCO 34a_100000065265_100000185155 [0,1,0,0,0,0|1,0,2]=4 2366 B16R0.61 C#CCCCCCCCCOCC(=O)NCO 7a_100000065265_100000185155 [0,1,0,0,0,0|1,0,2]=4 2367 B16R0.61 C#CCCCCCCCCOCC(=O)OCC 34a_100000065265_100000188475 [0,1,0,0,0,0|1,0,2]=4 2368 B16R0.61 C#CCCCCCCCCOCC(=O)OCC 7a_100000065265_100000188475 [0,1,0,0,0,0|1,0,2]=4 2369 B16R0.61 C#CCCCCCCCNCCC(=O)NCC 34a_100025743525_100153394163 [0,1,0,0,0,0|0,0,2]=3 2370 B16R0.61 C#CCCCCCCCOCCC(=O)NCC 7a_100000054614_100000737597 [0,1,0,0,0,0|0,0,2]=3 2371 B16R0.61 C#CCCCCCCCOCCC(=O)OCC 34a_100000054614_100000765890 [0,1,0,0,0,0|1,0,2]=4 2372 B16R0.61 C#CCCCCCCCOCCC(=O)OCC 7a_100000054614_100011206558 [0,1,0,0,0,0|1,0,2]=4 2373 B16R0.61 C#CCCCCCCCSCCC(=O)NCC 62a_100000737597_100153394163 [0,1,0,0,0,0|0,0,2]=3 2374 B16R0.61 C#CCCCCCCCSCCC(=O)NCC 62a_100153394163_100000737597 [0,1,0,0,0,0|0,0,2]=3 2375 B16R0.61 C#CCCCCCCCSCCC(=O)OCC 62a_100000765890_100153394163 [0,1,0,0,0,0|1,0,2]=4 2376 B16R0.61 C#CCCCCCCCSCCC(=O)OCC 62a_100153394163_100000765890 [0,1,0,0,0,0|1,0,2]=4 2377 B16R0.61 C#CCCCCCCOCCCC(=O)OCC 34a_100011217361_100009991533 [0,1,0,0,0,0|1,0,2]=4 2378 B16R0.61 C#CCCCCCCOCCCC(=O)OCC 7a_100011217361_100011215271 [0,1,0,0,0,0|1,0,2]=4 2379 B16R0.61 C#CCCCCCCOCCCC(=O)OCC 7a_100012001163_100012276617 [0,1,0,0,0,0|1,0,2]=4 2380 B16R0.61 C#CCCCCCCSCCCC(=O)OCC 62a_100009991533_100012276617 [0,1,0,0,0,0|1,0,2]=4 2381 B16R0.61 C#CCCCCCCSCCCC(=O)OCC 62a_100012276617_100009991533 [0,1,0,0,0,0|1,0,2]=4 2382 B16R0.61 C#CCCCCCOCCCCC(=O)OCC 34a_100000766912_100000750268 [0,1,0,0,0,0|1,0,2]=4 2383 B16R0.61 C#CCCCCCOCCCCC(=O)OCC 7a_100000766912_100000750268 [0,1,0,0,0,0|1,0,2]=4 2384 B16R0.61 C#CCCCCCSCCCCC(=O)OCC 62a_100000750268_100012094781 [0,1,0,0,0,0|1,0,2]=4 2385 B16R0.61 C#CCCCCCSCCCCC(=O)OCC 62a_100012094781_100000750268 [0,1,0,0,0,0|1,0,2]=4 2386 B16R0.61 C#CCCCCNCCCCCC(=O)OCC 2230a_100000706060_100000755133 [0,1,0,0,0,0|1,0,2]=4 2387 B16R0.61 C#CCCCCNCCCCCC(=O)OCC 34a_100000706060_100000755133 [0,1,0,0,0,0|1,0,2]=4 2388 B16R0.61 C#CCCCCOCCCCCC(=O)OCC 34a_100000766709_100000755133 [0,1,0,0,0,0|1,0,2]=4 2389 B16R0.61 C#CCCCCOCCCCCC(=O)OCC 7a_100000766709_100000755133 [0,1,0,0,0,0|1,0,2]=4 2390 B16R0.61 C#CCCCCOCCCCCC(=O)OCC 7a_100011214988_100010269958 [0,1,0,0,0,0|1,0,2]=4 2391 B16R0.61 C#CCCCCSCCCCCC(=O)OCC 62a_100000755133_100010269958 [0,1,0,0,0,0|1,0,2]=4 2392 B16R0.61 C#CCCCCSCCCCCC(=O)OCC 62a_100010269958_100000755133 [0,1,0,0,0,0|1,0,2]=4 2393 B16R0.61 C#CCCCNCCCCCCC(=O)OCC 34a_100000718082_100009814379 [0,1,0,0,0,0|1,0,2]=4 2394 B16R0.61 C#CCCCOCCCCCCC(=O)OCC 34a_100000215630_100009814379 [0,1,0,0,0,0|1,0,2]=4 2395 B16R0.61 C#CCCCOCCCCCCC(=O)OCC 7a_100000215630_100009814379 [0,1,0,0,0,0|1,0,2]=4 2396 B16R0.61 C#CCCCSCCCCCCC(=O)OCC 62a_100011215417_100009814379 [0,1,0,0,0,0|1,0,2]=4 2397 B16R0.61 C#CCCNCCCCCCCC(=O)OCC 34a_100000755551_100009991516 [0,1,0,0,0,0|1,0,2]=4 2398 B16R0.61 C#CCCOCCCCCCCC(=O)OCC 34a_100011215631_100009991516 [0,1,0,0,0,0|1,0,2]=4 2399 B16R0.61 C#CCCSCCCCCCCC(=O)OCC 62a_100000688953_100009991516 [0,1,0,0,0,0|1,0,2]=4 2400 B16R0.61 C#CCNCCCCCCCCC(=O)OCC 34a_100000212058_100010175975 [0,1,0,0,0,0|1,0,2]=4 2401 B16R0.61 C#CCOCCCCCCCCC(=O)OCC 34a_100000210247_100010175975 [0,1,0,0,0,0|1,0,2]=4 2402 B16R0.61 C#CCOCCCCCCOCC(=O)NCC 34a_200011021349_100000183381 [0,1,0,0,0,0|1,0,2]=4 2403 B16R0.61 C#CCOCCCCCCOCC(=O)NCC 7a_200011021349_100000183381 [0,1,0,0,0,0|1,0,2]=4 2404 B16R0.61 C#CCSCCCCCCCCC(=O)OCC 62a_100000038162_100010175975 [0,1,0,0,0,0|1,0,2]=4 2405 B16R0.61 C/C=C/CCOCCCCCCC(=O)OCC 34a_100016278192_100009814379 [0,1,0,0,0,0|1,0,2]=4 2406 B16R0.61 C/C=C/COCCCCCCCC(=O)OCC 34a_100016270725_100009991516 [0,1,0,0,0,0|1,0,2]=4 2407 B16R0.61 C/C=C/CSCCCCCCCC(=O)OCC 62a_100102629194_100009991516 [0,1,0,0,0,0|1,0,2]=4 2408 B16R0.61 C=CCC(=O)CCCCCCCCCCCC 1458a_100000210193_100000759014 [0,1,0,0,0,0|1,0,2]=4 2409 B16R0.61 C=CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000210623 [0,1,0,0,0,0|1,0,2]=4 2410 B16R0.61 C=CCC(=O)CCCCCCCCCCCO 1458a_100000210193_100009812471 [0,1,0,0,0,0|1,0,2]=4 2411 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 11a_200011215754_100000210193 [0,1,0,0,0,0|1,0,2]=4 2412 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000210193 [0,1,0,0,0,0|1,0,2]=4 2413 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000210193 [0,1,0,0,0,0|1,0,2]=4 2414 B16R0.61 C=CCC(=O)NCCCCCCCCCCC 527a_200011215754_100000210193 [0,1,0,0,0,0|1,0,2]=4 2415 B16R0.61 C=CCCCCCCCCCCC(=O)C#CC 1458a_100000763181_100011093070 [0,1,0,0,0,0|1,0,2]=4 2416 B16R0.61 C=CCCCCCCCCCCC(=O)C=CC 1458a_100000210699_100011093070 [0,1,0,0,0,0|1,0,2]=4 2417 B16R0.61 C=CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011093070 [0,1,0,0,0,0|1,0,1]=3 2418 B16R0.61 C=CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011093070 [0,1,0,0,0,0|2,0,1]=4 2419 B16R0.61 C=CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011093070 [0,1,0,0,0,0|2,0,1]=4 2420 B16R0.61 C=CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011093070 [0,1,0,0,0,0|2,0,1]=4 2421 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 11a_100000081888_100000211992 [0,1,0,0,0,0|1,0,2]=4 2422 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 1626a_100000081888_100000211992 [0,1,0,0,0,0|1,0,2]=4 2423 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 240690a_100000081888_100000211992 [0,1,0,0,0,0|1,0,2]=4 2424 B16R0.61 C=CCCCCCCCCCNC(=O)CCC 527a_100000081888_100000211992 [0,1,0,0,0,0|1,0,2]=4 2425 B16R0.61 C=CCCCCCCCCCNC(=O)NCC 2708a_100000081888_100015525214 [0,1,0,0,0,0|0,0,2]=3 2426 B16R0.61 C=CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000081888 [0,1,0,0,0,0|0,0,2]=3 2427 B16R0.61 C=CCCCCCCCCCNC(=O)NCC 273464a_100000081888_100015525214 [0,1,0,0,0,0|0,0,2]=3 2428 B16R0.61 C=CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000081888 [0,1,0,0,0,0|0,0,2]=3 2429 B16R0.61 C=CCCCCCCCCCNC(=O)NCC 512a_100000081888_100015525214 [0,1,0,0,0,0|0,0,2]=3 2430 B16R0.61 C=CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000081888 [0,1,0,0,0,0|0,0,2]=3 2431 B16R0.61 C=CCCCCCCCCCNC(=O)NNC 273464a_100000081888_100016993582 [0,1,0,0,0,0|1,0,2]=4 2432 B16R0.61 C=CCCCCCCCCCNC(=O)NNC 512a_100000081888_100016993582 [0,1,0,0,0,0|1,0,2]=4 2433 B16R0.61 C=CCCCCCCCCCNC(=O)NNC 512a_100016993582_100000081888 [0,1,0,0,0,0|1,0,2]=4 2434 B16R0.61 C=CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011933949 [0,1,0,0,0,0|0,0,2]=3 2435 B16R0.61 C=CCCCCCCCCOCC(=O)CCC 7a_100011215194_100000747444 [0,1,0,0,0,0|1,0,2]=4 2436 B16R0.61 C=CCCCCCCCCOCC(=O)NCC 34a_100011215194_100000183381 [0,1,0,0,0,0|0,0,2]=3 2437 B16R0.61 C=CCCCCCCCCOCC(=O)NCC 7a_100011215194_100000183381 [0,1,0,0,0,0|0,0,2]=3 2438 B16R0.61 C=CCCCCCCCCOCC(=O)NCO 34a_100011215194_100000185155 [0,1,0,0,0,0|1,0,2]=4 2439 B16R0.61 C=CCCCCCCCCOCC(=O)NCO 7a_100011215194_100000185155 [0,1,0,0,0,0|1,0,2]=4 2440 B16R0.61 C=CCCCCCCCCOCC(=O)OCC 34a_100011215194_100000188475 [0,1,0,0,0,0|1,0,2]=4 2441 B16R0.61 C=CCCCCCCCCOCC(=O)OCC 7a_100011215194_100000188475 [0,1,0,0,0,0|1,0,2]=4 2442 B16R0.61 C=CCCCCCCCCSCC(=O)CCC 62a_100000747444_100011933949 [0,1,0,0,0,0|1,0,2]=4 2443 B16R0.61 C=CCCCCCCCCSCC(=O)CCC 62a_100011933949_100000747444 [0,1,0,0,0,0|1,0,2]=4 2444 B16R0.61 C=CCCCCCCCCSCC(=O)NCC 62a_100000183381_100011933949 [0,1,0,0,0,0|0,0,2]=3 2445 B16R0.61 C=CCCCCCCCCSCC(=O)NCC 62a_100011933949_100000183381 [0,1,0,0,0,0|0,0,2]=3 2446 B16R0.61 C=CCCCCCCCCSCC(=O)NCO 62a_100000185155_100011933949 [0,1,0,0,0,0|1,0,2]=4 2447 B16R0.61 C=CCCCCCCCCSCC(=O)NCO 62a_100011933949_100000185155 [0,1,0,0,0,0|1,0,2]=4 2448 B16R0.61 C=CCCCCCCCCSCC(=O)OCC 62a_100000188475_100011933949 [0,1,0,0,0,0|1,0,2]=4 2449 B16R0.61 C=CCCCCCCCCSCC(=O)OCC 62a_100011933949_100000188475 [0,1,0,0,0,0|1,0,2]=4 2450 B16R0.61 C=CCCCCCCCNCCC(=O)NCC 34a_100025743525_100012355270 [0,1,0,0,0,0|0,0,2]=3 2451 B16R0.61 C=CCCCCCCCOCCC(=O)NCC 7a_100000730831_100000737597 [0,1,0,0,0,0|0,0,2]=3 2452 B16R0.61 C=CCCCCCCCOCCC(=O)OCC 34a_100000730831_100000765890 [0,1,0,0,0,0|1,0,2]=4 2453 B16R0.61 C=CCCCCCCCOCCC(=O)OCC 7a_100000730831_100011206558 [0,1,0,0,0,0|1,0,2]=4 2454 B16R0.61 C=CCCCCCCCSCCC(=O)NCC 62a_100000737597_100012355270 [0,1,0,0,0,0|0,0,2]=3 2455 B16R0.61 C=CCCCCCCCSCCC(=O)NCC 62a_100012355270_100000737597 [0,1,0,0,0,0|0,0,2]=3 2456 B16R0.61 C=CCCCCCCCSCCC(=O)OCC 62a_100000765890_100012355270 [0,1,0,0,0,0|1,0,2]=4 2457 B16R0.61 C=CCCCCCCCSCCC(=O)OCC 62a_100012355270_100000765890 [0,1,0,0,0,0|1,0,2]=4 2458 B16R0.61 C=CCCCCCCOCCCC(=O)OCC 34a_200011216477_100009991533 [0,1,0,0,0,0|1,0,2]=4 2459 B16R0.61 C=CCCCCCCOCCCC(=O)OCC 7a_100012001163_100011215473 [0,1,0,0,0,0|1,0,2]=4 2460 B16R0.61 C=CCCCCCCOCCCC(=O)OCC 7a_200011216477_100011215271 [0,1,0,0,0,0|1,0,2]=4 2461 B16R0.61 C=CCCCCCCSCCCC(=O)OCC 62a_100009991533_100011215473 [0,1,0,0,0,0|1,0,2]=4 2462 B16R0.61 C=CCCCCCCSCCCC(=O)OCC 62a_100011215473_100009991533 [0,1,0,0,0,0|1,0,2]=4 2463 B16R0.61 C=CCCCCCOCCCCC(=O)OCC 34a_100011216702_100000750268 [0,1,0,0,0,0|1,0,2]=4 2464 B16R0.61 C=CCCCCCOCCCCC(=O)OCC 7a_100011216702_100000750268 [0,1,0,0,0,0|1,0,2]=4 2465 B16R0.61 C=CCCCCCSCCCCC(=O)OCC 62a_100000700193_100000750268 [0,1,0,0,0,0|1,0,2]=4 2466 B16R0.61 C=CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000700193 [0,1,0,0,0,0|1,0,2]=4 2467 B16R0.61 C=CCCCCNCCCCCC(=O)OCC 2230a_100000703577_100000755133 [0,1,0,0,0,0|1,0,2]=4 2468 B16R0.61 C=CCCCCNCCCCCC(=O)OCC 34a_100000703577_100000755133 [0,1,0,0,0,0|1,0,2]=4 2469 B16R0.61 C=CCCCCOCCCCCC(=O)OCC 34a_100000766645_100000755133 [0,1,0,0,0,0|1,0,2]=4 2470 B16R0.61 C=CCCCCOCCCCCC(=O)OCC 7a_100000766645_100000755133 [0,1,0,0,0,0|1,0,2]=4 2471 B16R0.61 C=CCCCCOCCCCCC(=O)OCC 7a_100011214988_100011215482 [0,1,0,0,0,0|1,0,2]=4 2472 B16R0.61 C=CCCCCSCCCCCC(=O)OCC 62a_100000755133_100011215482 [0,1,0,0,0,0|1,0,2]=4 2473 B16R0.61 C=CCCCCSCCCCCC(=O)OCC 62a_100011215482_100000755133 [0,1,0,0,0,0|1,0,2]=4 2474 B16R0.61 C=CCCCNCCCCCCC(=O)OCC 2230a_100000700776_100009814379 [0,1,0,0,0,0|1,0,2]=4 2475 B16R0.61 C=CCCCNCCCCCCC(=O)OCC 34a_100000700776_100009814379 [0,1,0,0,0,0|1,0,2]=4 2476 B16R0.61 C=CCCCOCCCCCCC(=O)OCC 34a_100000758997_100009814379 [0,1,0,0,0,0|1,0,2]=4 2477 B16R0.61 C=CCCCOCCCCCCC(=O)OCC 7a_100000758997_100009814379 [0,1,0,0,0,0|1,0,2]=4 2478 B16R0.61 C=CCCCSCCCCCCC(=O)OCC 62a_100011713584_100009814379 [0,1,0,0,0,0|1,0,2]=4 2479 B16R0.61 C=CCCNCCCCCCCC(=O)OCC 2230a_100015191253_100009991516 [0,1,0,0,0,0|1,0,2]=4 2480 B16R0.61 C=CCCOCCCCCCCC(=O)OCC 34a_100011205117_100009991516 [0,1,0,0,0,0|1,0,2]=4 2481 B16R0.61 C=CCCSCCCCCCCC(=O)OCC 62a_100000754431_100009991516 [0,1,0,0,0,0|1,0,2]=4 2482 B16R0.61 C=CCNCCCCCCCCC(=O)OCC 2230a_100020586998_100010175975 [0,1,0,0,0,0|1,0,2]=4 2483 B16R0.61 C=CCOCCCCCCCCC(=O)OCC 34a_200000210373_100010175975 [0,1,0,0,0,0|1,0,2]=4 2484 B16R0.61 C=CCSCCCCCCCCC(=O)OCC 62a_100000210623_100010175975 [0,1,0,0,0,0|1,0,2]=4 2485 B16R0.61 C=COC(=O)CNCCCCCCCCCC 2230a_100000684558_100000036128 [0,1,0,0,0,0|1,0,2]=4 2486 B16R0.61 C=COC(=O)CNCCCCCCCCCC 34a_100000684558_100000036128 [0,1,0,0,0,0|1,0,2]=4 2487 B16R0.61 C=COC(=O)COCCCCCCCCCC 34a_100000210711_100000036128 [0,1,0,0,0,0|1,0,2]=4 2488 B16R0.61 C=COC(=O)CSCCCCCCCCCC 62a_100000036128_100000210320 [0,1,0,0,0,0|1,0,2]=4 2489 B16R0.61 CC#CC(=O)CCCCCCC#CCCCC 1458a_100000763181_200000043322 [0,1,0,0,0,0|1,0,2]=4 2490 B16R0.61 CC#CC(=O)CCCCCCCCCCCC 1458a_100000763181_100000759014 [0,1,0,0,0,0|1,0,1]=3 2491 B16R0.61 CC#CC(=O)CCCCCCCCCCCO 1458a_100000763181_100009812471 [0,1,0,0,0,0|1,0,1]=3 2492 B16R0.61 CC#CCCOCCCCCCC(=O)OCC 34a_100000750427_100009814379 [0,1,0,0,0,0|1,0,2]=4 2493 B16R0.61 CC#CCNCCCCCCCC(=O)OCC 2230a_100000685387_100009991516 [0,1,0,0,0,0|1,0,2]=4 2494 B16R0.61 CC#CCNCCCCCCCC(=O)OCC 34a_100000685387_100009991516 [0,1,0,0,0,0|1,0,2]=4 2495 B16R0.61 CC#CCOCCCCCCCC(=O)OCC 34a_100000761923_100009991516 [0,1,0,0,0,0|1,0,2]=4 2496 B16R0.61 CC#CCSCCCCCCCC(=O)OCC 62a_100000748600_100009991516 [0,1,0,0,0,0|1,0,2]=4 2497 B16R0.61 CC/C=C/CCCOCCCCC(=O)OCC 34a_100016287902_100000750268 [0,1,0,0,0,0|1,0,2]=4 2498 B16R0.61 CC/C=C/CCCOCCCCC(=O)OCC 7a_100016287902_100000750268 [0,1,0,0,0,0|1,0,2]=4 2499 B16R0.61 CC/C=C\CCCCCNCCC(=O)NCC 269862a_100025743525_100016288537 [0,1,0,0,0,0|0,0,2]=3 2500 B16R0.61 CC/C=C\CCCCCOCCC(=O)NCC 7a_100016268722_100000737597 [0,1,0,0,0,0|0,0,2]=3 2501 B16R0.61 CC/C=C\CCCCCOCCC(=O)OCC 34a_100016268722_100000765890 [0,1,0,0,0,0|1,0,2]=4 2502 B16R0.61 CC/C=C\CCCCCOCCC(=O)OCC 7a_100016268722_100011206558 [0,1,0,0,0,0|1,0,2]=4 2503 B16R0.61 CC/C=C\CCCCOCCCC(=O)OCC 34a_100016287862_100009991533 [0,1,0,0,0,0|1,0,2]=4 2504 B16R0.61 CC/C=C\CCCCOCCCC(=O)OCC 7a_100016287862_100011215271 [0,1,0,0,0,0|1,0,2]=4 2505 B16R0.61 CC/C=C\CCOCCCCCC(=O)OCC 34a_100016288707_100000755133 [0,1,0,0,0,0|1,0,2]=4 2506 B16R0.61 CC/C=C\CCOCCCCCC(=O)OCC 7a_100011214988_100015370543 [0,1,0,0,0,0|1,0,2]=4 2507 B16R0.61 CC/C=C\CCOCCCCCC(=O)OCC 7a_100016288707_100000755133 [0,1,0,0,0,0|1,0,2]=4 2508 B16R0.61 CC/C=C\CCSCCCCCC(=O)OCC 62a_100000755133_100015370543 [0,1,0,0,0,0|1,0,2]=4 2509 B16R0.61 CC/C=C\CCSCCCCCC(=O)OCC 62a_100015370543_100000755133 [0,1,0,0,0,0|1,0,2]=4 2510 B16R0.61 CC/C=C\COCCCCCCC(=O)OCC 34a_100016268518_100009814379 [0,1,0,0,0,0|1,0,2]=4 2511 B16R0.61 CC/C=C\CSCCCCCCC(=O)OCC 62a_100103147603_100009814379 [0,1,0,0,0,0|1,0,2]=4 2512 B16R0.61 CC=CC(=O)CCCCCCC#CCCCC 1458a_100000210699_200000043322 [0,1,0,0,0,0|1,0,2]=4 2513 B16R0.61 CC=CC(=O)CCCCCCCCCCCC 1458a_100000210699_100000759014 [0,1,0,0,0,0|1,0,1]=3 2514 B16R0.61 CC=CC(=O)CCCCCCCCCCCO 1458a_100000210699_100009812471 [0,1,0,0,0,0|1,0,1]=3 2515 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000210699 [0,1,0,0,0,0|1,0,1]=3 2516 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000210699 [0,1,0,0,0,0|1,0,1]=3 2517 B16R0.61 CC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000210699 [0,1,0,0,0,0|1,0,1]=3 2518 B16R0.61 CC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210699 [0,1,0,0,0,0|2,0,1]=4 2519 B16R0.61 CC=CCCCOCCCCCC(=O)OCC 34a_100020645299_100000755133 [0,1,0,0,0,0|1,0,2]=4 2520 B16R0.61 CC=CCSCCCCCCCC(=O)OCC 62a_100000070051_100009991516 [0,1,0,0,0,0|1,0,2]=4 2521 B16R0.61 CCC#CCCCCCCNCC(=O)NCC 2230a_100016988866_200000036426 [0,1,0,0,0,0|0,0,2]=3 2522 B16R0.61 CCC#CCCCCCCSCC(=O)CCC 62a_100000747444_200000036426 [0,1,0,0,0,0|1,0,2]=4 2523 B16R0.61 CCC#CCCCCCCSCC(=O)CCC 62a_200000036426_100000747444 [0,1,0,0,0,0|1,0,2]=4 2524 B16R0.61 CCC#CCCCCCCSCC(=O)NCC 62a_100000183381_200000036426 [0,1,0,0,0,0|0,0,2]=3 2525 B16R0.61 CCC#CCCCCCCSCC(=O)NCC 62a_200000036426_100000183381 [0,1,0,0,0,0|0,0,2]=3 2526 B16R0.61 CCC#CCCCCCCSCC(=O)NCO 62a_100000185155_200000036426 [0,1,0,0,0,0|1,0,2]=4 2527 B16R0.61 CCC#CCCCCCCSCC(=O)NCO 62a_200000036426_100000185155 [0,1,0,0,0,0|1,0,2]=4 2528 B16R0.61 CCC#CCCCCCCSCC(=O)OCC 62a_100000188475_200000036426 [0,1,0,0,0,0|1,0,2]=4 2529 B16R0.61 CCC#CCCCCCCSCC(=O)OCC 62a_200000036426_100000188475 [0,1,0,0,0,0|1,0,2]=4 2530 B16R0.61 CCC#CCCOCCCCCC(=O)OCC 34a_100000036655_100000755133 [0,1,0,0,0,0|1,0,2]=4 2531 B16R0.61 CCC#CCCOCCCCCC(=O)OCC 7a_100000036655_100000755133 [0,1,0,0,0,0|1,0,2]=4 2532 B16R0.61 CCC#CCOCCCCCCC(=O)OCC 34a_100000032950_100009814379 [0,1,0,0,0,0|1,0,2]=4 2533 B16R0.61 CCC#CCSCCCCCCC(=O)OCC 62a_100009813939_100009814379 [0,1,0,0,0,0|1,0,2]=4 2534 B16R0.61 CCC/C=C/COCCCCCC(=O)OCC 34a_100016278788_100000755133 [0,1,0,0,0,0|1,0,2]=4 2535 B16R0.61 CCC/C=C/COCCCCCC(=O)OCC 7a_100016278788_100000755133 [0,1,0,0,0,0|1,0,2]=4 2536 B16R0.61 CCCC#CCCOCCCCC(=O)OCC 34a_100000042726_100000750268 [0,1,0,0,0,0|1,0,2]=4 2537 B16R0.61 CCCC#CCCOCCCCC(=O)OCC 7a_100000042726_100000750268 [0,1,0,0,0,0|1,0,2]=4 2538 B16R0.61 CCCC#CCOCCCCCC(=O)OCC 34a_100000034806_100000755133 [0,1,0,0,0,0|1,0,2]=4 2539 B16R0.61 CCCC#CCOCCCCCC(=O)OCC 7a_100000034806_100000755133 [0,1,0,0,0,0|1,0,2]=4 2540 B16R0.61 CCCC(=O)CCCCCCCCCCCO 1458a_100000211992_100009812471 [0,1,0,0,0,0|1,0,0]=2 2541 B16R0.61 CCCC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747444 [0,1,0,0,0,0|2,0,0]=3 2542 B16R0.61 CCCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747444 [0,1,0,0,0,0|2,0,0]=3 2543 B16R0.61 CCCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747444 [0,1,0,0,0,0|2,0,0]=3 2544 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100000747444_100009813782 [0,1,0,0,0,0|2,0,0]=3 2545 B16R0.61 CCCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747444 [0,1,0,0,0,0|2,0,0]=3 2546 B16R0.61 CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000211992 [0,1,0,0,0,0|2,0,0]=3 2547 B16R0.61 CCCC(=O)OCNCCCCCCCCO 2230a_102515433106_100000034017 [0,1,0,0,0,0|3,0,0]=4 2548 B16R0.61 CCCC(=O)OCNCCCCCCCCO 34a_102515433106_100000034017 [0,1,0,0,0,0|3,0,0]=4 2549 B16R0.61 CCCC(=O)OCOCCCCCCCCBr 34a_100009813846_100000034017 [0,1,0,0,0,0|3,0,0]=4 2550 B16R0.61 CCCC(=O)OCOCCCCCCCCCl 34a_100000033203_100000034017 [0,1,0,0,0,0|3,0,0]=4 2551 B16R0.61 CCCC(=O)OCOCCCCCCCCN 34a_102515433106_100000034017 [0,1,0,0,0,0|3,0,0]=4 2552 B16R0.61 CCCC(=O)OCSCCCCCCCCO 62a_100000033203_100000034017 [0,1,0,0,0,0|3,0,0]=4 2553 B16R0.61 CCCC/C=C/CCCCOCC(=O)CCC 7a_200020645093_100000747444 [0,1,0,0,0,0|1,0,2]=4 2554 B16R0.61 CCCC/C=C/CCCCOCC(=O)NCC 34a_200020645093_100000183381 [0,1,0,0,0,0|0,0,2]=3 2555 B16R0.61 CCCC/C=C/CCCCOCC(=O)NCC 7a_200020645093_100000183381 [0,1,0,0,0,0|0,0,2]=3 2556 B16R0.61 CCCC/C=C/CCCCOCC(=O)NCO 34a_200020645093_100000185155 [0,1,0,0,0,0|1,0,2]=4 2557 B16R0.61 CCCC/C=C/CCCCOCC(=O)NCO 7a_200020645093_100000185155 [0,1,0,0,0,0|1,0,2]=4 2558 B16R0.61 CCCC/C=C/CCCCOCC(=O)OCC 34a_200020645093_100000188475 [0,1,0,0,0,0|1,0,2]=4 2559 B16R0.61 CCCC/C=C/CCCCOCC(=O)OCC 7a_200020645093_100000188475 [0,1,0,0,0,0|1,0,2]=4 2560 B16R0.61 CCCC/C=C/COCCCCC(=O)OCC 34a_200016272032_100000750268 [0,1,0,0,0,0|1,0,2]=4 2561 B16R0.61 CCCC/C=C/COCCCCC(=O)OCC 7a_200016272032_100000750268 [0,1,0,0,0,0|1,0,2]=4 2562 B16R0.61 CCCC/C=C\CCOCCCC(=O)OCC 34a_200016286491_100009991533 [0,1,0,0,0,0|1,0,2]=4 2563 B16R0.61 CCCC/C=C\CCOCCCC(=O)OCC 7a_200016286491_100011215271 [0,1,0,0,0,0|1,0,2]=4 2564 B16R0.61 CCCCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000043322 [0,1,0,0,0,0|1,0,1]=3 2565 B16R0.61 CCCCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000043322 [0,1,0,0,0,0|2,0,1]=4 2566 B16R0.61 CCCCC#CCCCCCCC(=O)COC 1458a_100000210968_200000043322 [0,1,0,0,0,0|2,0,1]=4 2567 B16R0.61 CCCCC#CCCCCCCC(=O)CSC 1458a_100000184570_200000043322 [0,1,0,0,0,0|2,0,1]=4 2568 B16R0.61 CCCCC#CCCCCOCC(=O)CCC 7a_200000066234_100000747444 [0,1,0,0,0,0|1,0,2]=4 2569 B16R0.61 CCCCC#CCCCCOCC(=O)NCC 34a_200000066234_100000183381 [0,1,0,0,0,0|0,0,2]=3 2570 B16R0.61 CCCCC#CCCCCOCC(=O)NCC 7a_200000066234_100000183381 [0,1,0,0,0,0|0,0,2]=3 2571 B16R0.61 CCCCC#CCCCCOCC(=O)NCO 34a_200000066234_100000185155 [0,1,0,0,0,0|1,0,2]=4 2572 B16R0.61 CCCCC#CCCCCOCC(=O)NCO 7a_200000066234_100000185155 [0,1,0,0,0,0|1,0,2]=4 2573 B16R0.61 CCCCC#CCCCCOCC(=O)OCC 34a_200000066234_100000188475 [0,1,0,0,0,0|1,0,2]=4 2574 B16R0.61 CCCCC#CCCCCOCC(=O)OCC 7a_200000066234_100000188475 [0,1,0,0,0,0|1,0,2]=4 2575 B16R0.61 CCCCC#CCCCNCCC(=O)NCC 34a_100025743525_200000047210 [0,1,0,0,0,0|0,0,2]=3 2576 B16R0.61 CCCCC#CCCCSCCC(=O)NCC 62a_100000737597_200000047210 [0,1,0,0,0,0|0,0,2]=3 2577 B16R0.61 CCCCC#CCCCSCCC(=O)NCC 62a_200000047210_100000737597 [0,1,0,0,0,0|0,0,2]=3 2578 B16R0.61 CCCCC#CCCCSCCC(=O)OCC 62a_100000765890_200000047210 [0,1,0,0,0,0|1,0,2]=4 2579 B16R0.61 CCCCC#CCCCSCCC(=O)OCC 62a_200000047210_100000765890 [0,1,0,0,0,0|1,0,2]=4 2580 B16R0.61 CCCCC#CCCOCCCC(=O)OCC 34a_100000037610_100009991533 [0,1,0,0,0,0|1,0,2]=4 2581 B16R0.61 CCCCC#CCCOCCCC(=O)OCC 7a_100000037610_100011215271 [0,1,0,0,0,0|1,0,2]=4 2582 B16R0.61 CCCCC#CCOCCCCC(=O)OCC 34a_200000034558_100000750268 [0,1,0,0,0,0|1,0,2]=4 2583 B16R0.61 CCCCC#CCOCCCCC(=O)OCC 7a_200000034558_100000750268 [0,1,0,0,0,0|1,0,2]=4 2584 B16R0.61 CCCCC/C=C/COCCCC(=O)OCC 34a_100016258190_100009991533 [0,1,0,0,0,0|1,0,2]=4 2585 B16R0.61 CCCCC/C=C/COCCCC(=O)OCC 7a_100016258190_100011215271 [0,1,0,0,0,0|1,0,2]=4 2586 B16R0.61 CCCCC/C=C\CCCOCC(=O)CCC 7a_100020655193_100000747444 [0,1,0,0,0,0|1,0,2]=4 2587 B16R0.61 CCCCC/C=C\CCCOCC(=O)NCC 34a_100020655193_100000183381 [0,1,0,0,0,0|0,0,2]=3 2588 B16R0.61 CCCCC/C=C\CCCOCC(=O)NCC 7a_100020655193_100000183381 [0,1,0,0,0,0|0,0,2]=3 2589 B16R0.61 CCCCC/C=C\CCCOCC(=O)NCO 34a_100020655193_100000185155 [0,1,0,0,0,0|1,0,2]=4 2590 B16R0.61 CCCCC/C=C\CCCOCC(=O)NCO 7a_100020655193_100000185155 [0,1,0,0,0,0|1,0,2]=4 2591 B16R0.61 CCCCC/C=C\CCCOCC(=O)OCC 34a_100020655193_100000188475 [0,1,0,0,0,0|1,0,2]=4 2592 B16R0.61 CCCCC/C=C\CCCOCC(=O)OCC 7a_100020655193_100000188475 [0,1,0,0,0,0|1,0,2]=4 2593 B16R0.61 CCCCC/C=C\CCOCCC(=O)NCC 7a_100016277358_100000737597 [0,1,0,0,0,0|0,0,2]=3 2594 B16R0.61 CCCCC/C=C\CCOCCC(=O)OCC 34a_100016277358_100000765890 [0,1,0,0,0,0|1,0,2]=4 2595 B16R0.61 CCCCC/C=C\CCOCCC(=O)OCC 7a_100016277358_100011206558 [0,1,0,0,0,0|1,0,2]=4 2596 B16R0.61 CCCCCC#CCCOCCC(=O)NCC 7a_200000042877_100000737597 [0,1,0,0,0,0|0,0,2]=3 2597 B16R0.61 CCCCCC#CCCOCCC(=O)OCC 34a_200000042877_100000765890 [0,1,0,0,0,0|1,0,2]=4 2598 B16R0.61 CCCCCC#CCCOCCC(=O)OCC 7a_200000042877_100011206558 [0,1,0,0,0,0|1,0,2]=4 2599 B16R0.61 CCCCCC#CCOCCCC(=O)OCC 34a_200000033628_100009991533 [0,1,0,0,0,0|1,0,2]=4 2600 B16R0.61 CCCCCC#CCOCCCC(=O)OCC 7a_100012001163_100009816472 [0,1,0,0,0,0|1,0,2]=4 2601 B16R0.61 CCCCCC#CCOCCCC(=O)OCC 7a_200000033628_100011215271 [0,1,0,0,0,0|1,0,2]=4 2602 B16R0.61 CCCCCC#CCSCCCC(=O)OCC 62a_100009816472_100009991533 [0,1,0,0,0,0|1,0,2]=4 2603 B16R0.61 CCCCCC#CCSCCCC(=O)OCC 62a_100009991533_100009816472 [0,1,0,0,0,0|1,0,2]=4 2604 B16R0.61 CCCCCC/C=C/COCCC(=O)NCC 7a_200016276170_100000737597 [0,1,0,0,0,0|0,0,2]=3 2605 B16R0.61 CCCCCC/C=C/COCCC(=O)OCC 34a_200016276170_100000765890 [0,1,0,0,0,0|1,0,2]=4 2606 B16R0.61 CCCCCC/C=C/COCCC(=O)OCC 7a_200016276170_100011206558 [0,1,0,0,0,0|1,0,2]=4 2607 B16R0.61 CCCCCC/C=C\CCCCC(C)NCC 270004a_100015525214_100020676974 [0,1,0,0,0,0|1,0,2]=4 2608 B16R0.61 CCCCCCC#CCCOCC(=O)CCC 7a_200000033163_100000747444 [0,1,0,0,0,0|1,0,2]=4 2609 B16R0.61 CCCCCCC#CCCOCC(=O)NCC 34a_200000033163_100000183381 [0,1,0,0,0,0|0,0,2]=3 2610 B16R0.61 CCCCCCC#CCCOCC(=O)NCC 7a_200000033163_100000183381 [0,1,0,0,0,0|0,0,2]=3 2611 B16R0.61 CCCCCCC#CCCOCC(=O)NCO 34a_200000033163_100000185155 [0,1,0,0,0,0|1,0,2]=4 2612 B16R0.61 CCCCCCC#CCCOCC(=O)NCO 7a_200000033163_100000185155 [0,1,0,0,0,0|1,0,2]=4 2613 B16R0.61 CCCCCCC#CCCOCC(=O)OCC 34a_200000033163_100000188475 [0,1,0,0,0,0|1,0,2]=4 2614 B16R0.61 CCCCCCC#CCCOCC(=O)OCC 7a_200000033163_100000188475 [0,1,0,0,0,0|1,0,2]=4 2615 B16R0.61 CCCCCCC#CCOCCC(=O)NCC 7a_200000037284_100000737597 [0,1,0,0,0,0|0,0,2]=3 2616 B16R0.61 CCCCCCC#CCOCCC(=O)OCC 34a_200000037284_100000765890 [0,1,0,0,0,0|1,0,2]=4 2617 B16R0.61 CCCCCCC#CCOCCC(=O)OCC 7a_200000037284_100011206558 [0,1,0,0,0,0|1,0,2]=4 2618 B16R0.61 CCCCCCCC#CCOCC(=O)CCC 7a_200000061759_100000747444 [0,1,0,0,0,0|1,0,2]=4 2619 B16R0.61 CCCCCCCC#CCOCC(=O)NCC 34a_200000061759_100000183381 [0,1,0,0,0,0|0,0,2]=3 2620 B16R0.61 CCCCCCCC#CCOCC(=O)NCC 7a_200000061759_100000183381 [0,1,0,0,0,0|0,0,2]=3 2621 B16R0.61 CCCCCCCC#CCOCC(=O)NCO 34a_200000061759_100000185155 [0,1,0,0,0,0|1,0,2]=4 2622 B16R0.61 CCCCCCCC#CCOCC(=O)NCO 7a_200000061759_100000185155 [0,1,0,0,0,0|1,0,2]=4 2623 B16R0.61 CCCCCCCC#CCOCC(=O)OCC 34a_200000061759_100000188475 [0,1,0,0,0,0|1,0,2]=4 2624 B16R0.61 CCCCCCCC#CCOCC(=O)OCC 7a_200000061759_100000188475 [0,1,0,0,0,0|1,0,2]=4 2625 B16R0.61 CCCCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210895 [0,1,0,0,0,0|2,0,1]=4 2626 B16R0.61 CCCCCCCCCCC=CC(=O)NCC 11a_100015525214_100015291182 [0,1,0,0,0,0|0,0,1]=2 2627 B16R0.61 CCCCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015291182 [0,1,0,0,0,0|0,0,1]=2 2628 B16R0.61 CCCCCCCCCCC=CC(=O)NNC 22a_100016993582_100015291182 [0,1,0,0,0,0|1,0,1]=3 2629 B16R0.61 CCCCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000759014 [0,1,0,0,0,0|2,0,1]=4 2630 B16R0.61 CCCCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000759014 [0,1,0,0,0,0|2,0,1]=4 2631 B16R0.61 CCCCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000759014 [0,1,0,0,0,0|2,0,1]=4 2632 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100011215791_100011214920 [0,1,0,0,0,0|2,0,1]=4 2633 B16R0.61 CCCCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000759014 [0,1,0,0,0,0|2,0,1]=4 2634 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_100000759014 [0,1,0,0,0,0|1,0,0]=2 2635 B16R0.61 CCCCCCCCCCCCC(=O)CCC 1458a_100011215791_100000210303 [0,1,0,0,0,0|1,0,0]=2 2636 B16R0.61 CCCCCCCCCCCCC(=O)CCF 1458a_100011215791_100011217306 [0,1,0,0,0,0|2,0,0]=3 2637 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011215791_100000211926 [0,1,0,0,0,0|2,0,0]=3 2638 B16R0.61 CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000759014 [0,1,0,0,0,0|2,0,0]=3 2639 B16R0.61 CCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000759014 [0,1,0,0,0,0|2,0,0]=3 2640 B16R0.61 CCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000759014 [0,1,0,0,0,0|2,0,0]=3 2641 B16R0.61 CCCCCCCCCCCCC(=O)NCC 11a_100015525214_100011215791 [0,1,0,0,0,0|0,0,0]=1 2642 B16R0.61 CCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100011215791 [0,1,0,0,0,0|0,0,0]=1 2643 B16R0.61 CCCCCCCCCCCCC(=O)NNC 22a_100016993582_100011215791 [0,1,0,0,0,0|1,0,0]=2 2644 B16R0.61 CCCCCCCCCCCCC(C)NCC 2230a_100015525214_200011217028 [0,1,0,0,0,0|1,0,1]=3 2645 B16R0.61 CCCCCCCCCCCCC(C)NCC 270004a_100015525214_100011219199 [0,1,0,0,0,0|1,0,1]=3 2646 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_100121572206_200011217028 [0,1,0,0,0,0|2,0,1]=4 2647 B16R0.61 CCCCCCCCCCCCC(C)OCC 34a_200011215752_100000210202 [0,1,0,0,0,0|2,0,1]=4 2648 B16R0.61 CCCCCCCCCCCCC(C)OCC 7a_200011215752_100000210202 [0,1,0,0,0,0|2,0,1]=4 2649 B16R0.61 CCCCCCCCCCCCN(C)CCC 2230a_100000227908_100000210303 [0,1,0,0,0,0|3,0,0]=4 2650 B16R0.61 CCCCCCCCCCCCN(C)CCC 2230a_100000747261_100011215052 [0,1,0,0,0,0|3,0,0]=4 2651 B16R0.61 CCCCCCCCCCCCN(C)CCC 269982a_100000227908_100000210303 [0,1,0,0,0,0|3,0,0]=4 2652 B16R0.61 CCCCCCCCCCCCN(C)CCC 269982a_100000747261_100000759014 [0,1,0,0,0,0|3,0,0]=4 2653 B16R0.61 CCCCCCCCCCCCN(C)CCC 270004a_100000747261_100011218549 [0,1,0,0,0,0|3,0,0]=4 2654 B16R0.61 CCCCCCCCCCCNC(=O)C=CBr 1626a_200011215754_100016273825 [0,1,0,0,0,0|2,0,1]=4 2655 B16R0.61 CCCCCCCCCCCNC(=O)C=CBr 240690a_200011215754_100016273825 [0,1,0,0,0,0|2,0,1]=4 2656 B16R0.61 CCCCCCCCCCCNC(=O)C=CCl 11a_200011215754_200016279998 [0,1,0,0,0,0|2,0,1]=4 2657 B16R0.61 CCCCCCCCCCCNC(=O)C=CCl 1626a_200011215754_200016279998 [0,1,0,0,0,0|2,0,1]=4 2658 B16R0.61 CCCCCCCCCCCNC(=O)C=CCl 240690a_200011215754_200016279998 [0,1,0,0,0,0|2,0,1]=4 2659 B16R0.61 CCCCCCCCCCCNC(=O)C=CI 1626a_200011215754_100016256311 [0,1,0,0,0,0|2,0,1]=4 2660 B16R0.61 CCCCCCCCCCCNC(=O)CC#N 1626a_200011215754_100051588842 [0,1,0,0,0,0|2,0,1]=4 2661 B16R0.61 CCCCCCCCCCCNC(=O)CC#N 240690a_200011215754_100051588842 [0,1,0,0,0,0|2,0,1]=4 2662 B16R0.61 CCCCCCCCCCCNC(=O)CCC 11a_200011215754_100000211992 [0,1,0,0,0,0|1,0,0]=2 2663 B16R0.61 CCCCCCCCCCCNC(=O)CCC 1626a_200011215754_100000211992 [0,1,0,0,0,0|1,0,0]=2 2664 B16R0.61 CCCCCCCCCCCNC(=O)CCC 240690a_200011215754_100000211992 [0,1,0,0,0,0|1,0,0]=2 2665 B16R0.61 CCCCCCCCCCCNC(=O)CCC 527a_200011215754_100000211992 [0,1,0,0,0,0|1,0,0]=2 2666 B16R0.61 CCCCCCCCCCCNC(=O)CCO 240690a_200011215754_100011216618 [0,1,0,0,0,0|2,0,0]=3 2667 B16R0.61 CCCCCCCCCCCNC(=O)COC 11a_200011215754_100000210968 [0,1,0,0,0,0|2,0,0]=3 2668 B16R0.61 CCCCCCCCCCCNC(=O)COC 1626a_200011215754_100000210968 [0,1,0,0,0,0|2,0,0]=3 2669 B16R0.61 CCCCCCCCCCCNC(=O)COC 240690a_200011215754_100000210968 [0,1,0,0,0,0|2,0,0]=3 2670 B16R0.61 CCCCCCCCCCCNC(=O)COC 527a_200011215754_100000210968 [0,1,0,0,0,0|2,0,0]=3 2671 B16R0.61 CCCCCCCCCCCNC(=O)CSC 11a_200011215754_100000184570 [0,1,0,0,0,0|2,0,0]=3 2672 B16R0.61 CCCCCCCCCCCNC(=O)CSC 1626a_200011215754_100000184570 [0,1,0,0,0,0|2,0,0]=3 2673 B16R0.61 CCCCCCCCCCCNC(=O)CSC 240690a_200011215754_100000184570 [0,1,0,0,0,0|2,0,0]=3 2674 B16R0.61 CCCCCCCCCCCNC(=O)CSC 527a_200011215754_100000184570 [0,1,0,0,0,0|2,0,0]=3 2675 B16R0.61 CCCCCCCCCCCNC(=O)NCC 2708a_100015525214_200011215754 [0,1,0,0,0,0|0,0,0]=1 2676 B16R0.61 CCCCCCCCCCCNC(=O)NCC 2708a_200011215754_100015525214 [0,1,0,0,0,0|0,0,0]=1 2677 B16R0.61 CCCCCCCCCCCNC(=O)NCC 273464a_100015525214_200011215754 [0,1,0,0,0,0|0,0,0]=1 2678 B16R0.61 CCCCCCCCCCCNC(=O)NCC 273464a_200011215754_100015525214 [0,1,0,0,0,0|0,0,0]=1 2679 B16R0.61 CCCCCCCCCCCNC(=O)NCC 512a_100015525214_200011215754 [0,1,0,0,0,0|0,0,0]=1 2680 B16R0.61 CCCCCCCCCCCNC(=O)NCC 512a_200011215754_100015525214 [0,1,0,0,0,0|0,0,0]=1 2681 B16R0.61 CCCCCCCCCCCNC(=O)NNC 273464a_200011215754_100016993582 [0,1,0,0,0,0|1,0,0]=2 2682 B16R0.61 CCCCCCCCCCCNC(=O)NNC 512a_100016993582_200011215754 [0,1,0,0,0,0|1,0,0]=2 2683 B16R0.61 CCCCCCCCCCCNC(=O)NNC 512a_200011215754_100016993582 [0,1,0,0,0,0|1,0,0]=2 2684 B16R0.61 CCCCCCCCCCCNC(C)CCC 2230a_100000741246_100011215454 [0,1,0,0,0,0|2,0,1]=4 2685 B16R0.61 CCCCCCCCCCCNC(C)CCC 2230a_200011215754_100000766640 [0,1,0,0,0,0|2,0,1]=4 2686 B16R0.61 CCCCCCCCCCCNC(C)CCC 270004a_200011215754_100000211909 [0,1,0,0,0,0|2,0,1]=4 2687 B16R0.61 CCCCCCCCCCCNC(C)CCC 34a_200011215754_100000766640 [0,1,0,0,0,0|2,0,1]=4 2688 B16R0.61 CCCCCCCCCCCOC(C)CCC 34a_100000210809_100000766640 [0,1,0,0,0,0|2,0,1]=4 2689 B16R0.61 CCCCCCCCCCCOC(C)CCC 34a_100000764384_100011215454 [0,1,0,0,0,0|2,0,1]=4 2690 B16R0.61 CCCCCCCCCCCOC(C)CCC 7a_100000210809_100000766640 [0,1,0,0,0,0|2,0,1]=4 2691 B16R0.61 CCCCCCCCCCCOC(C)CCC 7a_100000764384_100011215454 [0,1,0,0,0,0|2,0,1]=4 2692 B16R0.61 CCCCCCCCCCNCC(=O)CCC 2230a_100000684558_100000747444 [0,1,0,0,0,0|1,0,0]=2 2693 B16R0.61 CCCCCCCCCCNCC(=O)NCC 2230a_100000684558_100000183381 [0,1,0,0,0,0|0,0,0]=1 2694 B16R0.61 CCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210320 [0,1,0,0,0,0|0,0,0]=1 2695 B16R0.61 CCCCCCCCCCNCC(=O)NCC 34a_100000684558_100000183381 [0,1,0,0,0,0|0,0,0]=1 2696 B16R0.61 CCCCCCCCCCNCC(=O)NCO 2230a_100000684558_100000185155 [0,1,0,0,0,0|1,0,0]=2 2697 B16R0.61 CCCCCCCCCCNCC(=O)NCO 34a_100000684558_100000185155 [0,1,0,0,0,0|1,0,0]=2 2698 B16R0.61 CCCCCCCCCCNCC(=O)OCC 2230a_100000684558_100000188475 [0,1,0,0,0,0|1,0,0]=2 2699 B16R0.61 CCCCCCCCCCNCC(=O)OCC 34a_100000684558_100000188475 [0,1,0,0,0,0|1,0,0]=2 2700 B16R0.61 CCCCCCCCCCNCC(C)CCC 2230a_100000684558_100011216630 [0,1,0,0,0,0|2,0,1]=4 2701 B16R0.61 CCCCCCCCCCNCC(C)CCC 270004a_100000684558_100000243154 [0,1,0,0,0,0|2,0,1]=4 2702 B16R0.61 CCCCCCCCCCNCC(C)CCC 34a_100000684558_100011216630 [0,1,0,0,0,0|2,0,1]=4 2703 B16R0.61 CCCCCCCCCCOCC(=O)CCC 7a_100000210711_100000747444 [0,1,0,0,0,0|1,0,0]=2 2704 B16R0.61 CCCCCCCCCCOCC(=O)NCC 34a_100000210711_100000183381 [0,1,0,0,0,0|0,0,0]=1 2705 B16R0.61 CCCCCCCCCCOCC(=O)NCC 7a_100000210711_100000183381 [0,1,0,0,0,0|0,0,0]=1 2706 B16R0.61 CCCCCCCCCCOCC(=O)NCO 34a_100000210711_100000185155 [0,1,0,0,0,0|1,0,0]=2 2707 B16R0.61 CCCCCCCCCCOCC(=O)NCO 7a_100000210711_100000185155 [0,1,0,0,0,0|1,0,0]=2 2708 B16R0.61 CCCCCCCCCCOCC(=O)OCC 34a_100000210711_100000188475 [0,1,0,0,0,0|1,0,0]=2 2709 B16R0.61 CCCCCCCCCCOCC(=O)OCC 7a_100000210711_100000188475 [0,1,0,0,0,0|1,0,0]=2 2710 B16R0.61 CCCCCCCCCCOCC(C)CCC 34a_100000210711_100011216630 [0,1,0,0,0,0|2,0,1]=4 2711 B16R0.61 CCCCCCCCCCOCC(C)CCC 34a_100000688023_100000210320 [0,1,0,0,0,0|2,0,1]=4 2712 B16R0.61 CCCCCCCCCCOCC(C)CCC 7a_100000210711_100011216630 [0,1,0,0,0,0|2,0,1]=4 2713 B16R0.61 CCCCCCCCCCOCC(C)CCC 7a_100000688023_100000210320 [0,1,0,0,0,0|2,0,1]=4 2714 B16R0.61 CCCCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210320 [0,1,0,0,0,0|2,0,1]=4 2715 B16R0.61 CCCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210320 [0,1,0,0,0,0|1,0,0]=2 2716 B16R0.61 CCCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210320 [0,1,0,0,0,0|0,0,0]=1 2717 B16R0.61 CCCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210320 [0,1,0,0,0,0|1,0,0]=2 2718 B16R0.61 CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210320 [0,1,0,0,0,0|1,0,0]=2 2719 B16R0.61 CCCCCCCCCNCCC(=O)NCC 2230a_100000212291_100000737597 [0,1,0,0,0,0|0,0,0]=1 2720 B16R0.61 CCCCCCCCCNCCC(=O)NCC 34a_100025743525_100011214924 [0,1,0,0,0,0|0,0,0]=1 2721 B16R0.61 CCCCCCCCCNCCC(=O)OCC 2230a_100000212291_100011206558 [0,1,0,0,0,0|1,0,0]=2 2722 B16R0.61 CCCCCCCCCNCCC(=O)OCC 34a_100000212291_100000765890 [0,1,0,0,0,0|1,0,0]=2 2723 B16R0.61 CCCCCCCCCNCOC(=O)CCC 2230a_100000212291_100000034017 [0,1,0,0,0,0|2,0,0]=3 2724 B16R0.61 CCCCCCCCCNCOC(=O)CCC 34a_100000212291_100000034017 [0,1,0,0,0,0|2,0,0]=3 2725 B16R0.61 CCCCCCCCCOCCC(=O)NCC 7a_100000210712_100000737597 [0,1,0,0,0,0|0,0,0]=1 2726 B16R0.61 CCCCCCCCCOCCC(=O)OCC 34a_100000210712_100000765890 [0,1,0,0,0,0|1,0,0]=2 2727 B16R0.61 CCCCCCCCCOCCC(=O)OCC 7a_100000210712_100011206558 [0,1,0,0,0,0|1,0,0]=2 2728 B16R0.61 CCCCCCCCCOCCC(C)CCC 34a_100011217855_100011214924 [0,1,0,0,0,0|2,0,1]=4 2729 B16R0.61 CCCCCCCCCOCCC(C)CCC 7a_100011217855_100000210328 [0,1,0,0,0,0|2,0,1]=4 2730 B16R0.61 CCCCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100011214924 [0,1,0,0,0,0|2,0,1]=4 2731 B16R0.61 CCCCCCCCCOCOC(=O)CCC 34a_100000210712_100000034017 [0,1,0,0,0,0|2,0,0]=3 2732 B16R0.61 CCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210670 [0,1,0,0,0,0|0,0,0]=1 2733 B16R0.61 CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210670 [0,1,0,0,0,0|1,0,0]=2 2734 B16R0.61 CCCCCCCCNC/C=C/C(=O)OCC 2230a_100000229939_100016267167 [0,1,0,0,0,0|1,0,2]=4 2735 B16R0.61 CCCCCCCCNC/C=C/C(=O)OCC 34a_100000229939_100016267167 [0,1,0,0,0,0|1,0,2]=4 2736 B16R0.61 CCCCCCCCNCCCC(=O)OCC 2230a_100000229939_100009991533 [0,1,0,0,0,0|1,0,0]=2 2737 B16R0.61 CCCCCCCCNCCCC(=O)OCC 34a_100000229939_100009991533 [0,1,0,0,0,0|1,0,0]=2 2738 B16R0.61 CCCCCCCCOC/C=C/C(=O)OCC 34a_100000210232_100016267167 [0,1,0,0,0,0|1,0,2]=4 2739 B16R0.61 CCCCCCCCOC/C=C/C(=O)OCC 7a_100000210232_100016267167 [0,1,0,0,0,0|1,0,2]=4 2740 B16R0.61 CCCCCCCCOCCCC(=O)OCC 34a_100000210232_100009991533 [0,1,0,0,0,0|1,0,0]=2 2741 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100000210232_100011215271 [0,1,0,0,0,0|1,0,0]=2 2742 B16R0.61 CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210759 [0,1,0,0,0,0|1,0,0]=2 2743 B16R0.61 CCCCCCCCOCCCC(C)CCC 34a_100011713154_100000210759 [0,1,0,0,0,0|2,0,1]=4 2744 B16R0.61 CCCCCCCCOCCCC(C)CCC 7a_100011713154_100000210759 [0,1,0,0,0,0|2,0,1]=4 2745 B16R0.61 CCCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210759 [0,1,0,0,0,0|2,0,0]=3 2746 B16R0.61 CCCCCCCCOCCNC(=O)OCC 7a_100000210232_200011445536 [0,1,0,0,0,0|2,0,0]=3 2747 B16R0.61 CCCCCCCCSC/C=C/C(=O)OCC 62a_100000210759_100016267167 [0,1,0,0,0,0|1,0,2]=4 2748 B16R0.61 CCCCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210317 [0,1,0,0,0,0|1,0,2]=4 2749 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100000210759_100009991533 [0,1,0,0,0,0|1,0,0]=2 2750 B16R0.61 CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210317 [0,1,0,0,0,0|1,0,0]=2 2751 B16R0.61 CCCCCCCCSCCNC(=O)OCC 62a_100000210759_200011445536 [0,1,0,0,0,0|2,0,0]=3 2752 B16R0.61 CCCCCCCNCCCCC(=O)OCC 2230a_100000229938_100000750268 [0,1,0,0,0,0|1,0,0]=2 2753 B16R0.61 CCCCCCCNCCOCC(=O)OCC 2230a_100000229938_100000088970 [0,1,0,0,0,0|2,0,0]=3 2754 B16R0.61 CCCCCCCOCCCCC(=O)OCC 34a_100000210272_100000750268 [0,1,0,0,0,0|1,0,0]=2 2755 B16R0.61 CCCCCCCOCCCCC(=O)OCC 7a_100000210272_100000750268 [0,1,0,0,0,0|1,0,0]=2 2756 B16R0.61 CCCCCCCOCCOCC(=O)OCC 34a_100000210272_100000088970 [0,1,0,0,0,0|2,0,0]=3 2757 B16R0.61 CCCCCCCOCCOCC(=O)OCC 7a_100000210272_100000088970 [0,1,0,0,0,0|2,0,0]=3 2758 B16R0.61 CCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210614 [0,1,0,0,0,0|2,0,0]=3 2759 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000210614_100000750268 [0,1,0,0,0,0|1,0,0]=2 2760 B16R0.61 CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210316 [0,1,0,0,0,0|1,0,0]=2 2761 B16R0.61 CCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210316 [0,1,0,0,0,0|2,0,0]=3 2762 B16R0.61 CCCCCCCSCCOCC(=O)OCC 62a_100000210614_100000088970 [0,1,0,0,0,0|2,0,0]=3 2763 B16R0.61 CCCCCCNCCCCCC(=O)OCC 2230a_100000210581_100000755133 [0,1,0,0,0,0|1,0,0]=2 2764 B16R0.61 CCCCCCNCCCOCC(=O)OCC 2230a_100000210581_100009893628 [0,1,0,0,0,0|2,0,0]=3 2765 B16R0.61 CCCCCCOCCCCCC(=O)OCC 34a_100000210259_100000755133 [0,1,0,0,0,0|1,0,0]=2 2766 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100000210259_100000755133 [0,1,0,0,0,0|1,0,0]=2 2767 B16R0.61 CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210314 [0,1,0,0,0,0|1,0,0]=2 2768 B16R0.61 CCCCCCOCCCOCC(=O)OCC 34a_100000210259_100009893628 [0,1,0,0,0,0|2,0,0]=3 2769 B16R0.61 CCCCCCOCCCOCC(=O)OCC 7a_100000210259_100009893628 [0,1,0,0,0,0|2,0,0]=3 2770 B16R0.61 CCCCCCOCCOCCC(=O)NCC 7a_100000691444_100000737597 [0,1,0,0,0,0|1,0,0]=2 2771 B16R0.61 CCCCCCOCCOCCC(=O)OCC 34a_100000691444_100000765890 [0,1,0,0,0,0|2,0,0]=3 2772 B16R0.61 CCCCCCOCCOCCC(=O)OCC 7a_100000691444_100011206558 [0,1,0,0,0,0|2,0,0]=3 2773 B16R0.61 CCCCCCOCCOCOC(=O)CCC 34a_100000691444_100000034017 [0,1,0,0,0,0|3,0,0]=4 2774 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000210314_100000755133 [0,1,0,0,0,0|1,0,0]=2 2775 B16R0.61 CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210757 [0,1,0,0,0,0|1,0,0]=2 2776 B16R0.61 CCCCCCSCCCOCC(=O)OCC 62a_100000210314_100009893628 [0,1,0,0,0,0|2,0,0]=3 2777 B16R0.61 CCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210757 [0,1,0,0,0,0|2,0,0]=3 2778 B16R0.61 CCCCCNCCCCCCC(=O)OCC 2230a_100000209983_100009814379 [0,1,0,0,0,0|1,0,0]=2 2779 B16R0.61 CCCCCNCCOCCCC(=O)OCC 34a_100000224656_100009991533 [0,1,0,0,0,0|2,0,0]=3 2780 B16R0.61 CCCCCNN=CCCCCC(=O)OCC 4a_100000694160_100012182868 [0,1,0,0,0,0|2,0,1]=4 2781 B16R0.61 CCCCCOCCCCCCC(=O)OCC 34a_100000210253_100009814379 [0,1,0,0,0,0|1,0,0]=2 2782 B16R0.61 CCCCCOCCCCCCC(=O)OCC 7a_100000210253_100009814379 [0,1,0,0,0,0|1,0,0]=2 2783 B16R0.61 CCCCCOCCOCCCC(=O)OCC 34a_100011215259_100009991533 [0,1,0,0,0,0|2,0,0]=3 2784 B16R0.61 CCCCCOCCOCCCC(=O)OCC 7a_100011215259_100011215271 [0,1,0,0,0,0|2,0,0]=3 2785 B16R0.61 CCCCCOCCOCCNC(=O)OCC 7a_100011215259_200011445536 [0,1,0,0,0,0|3,0,0]=4 2786 B16R0.61 CCCCCSCCCCCCC(=O)OCC 62a_100000210326_100009814379 [0,1,0,0,0,0|1,0,0]=2 2787 B16R0.61 CCCCNCCCCCCCC(=O)OCC 2230a_100000102301_100009991516 [0,1,0,0,0,0|1,0,0]=2 2788 B16R0.61 CCCCNCCCCCCCC(=O)OCC 7a_106832991798_100009991516 [0,1,0,0,0,0|1,0,0]=2 2789 B16R0.61 CCCCNCCCCOCCC(=O)OCC 34a_200011216965_100000765890 [0,1,0,0,0,0|2,0,0]=3 2790 B16R0.61 CCCCNCCCCOCOC(=O)CCC 34a_200011216965_100000034017 [0,1,0,0,0,0|3,0,0]=4 2791 B16R0.61 CCCCNN=CCCCCCC(=O)OCC 4a_100025702795_100000085164 [0,1,0,0,0,0|2,0,1]=4 2792 B16R0.61 CCCCOCCCCCCCC(=O)OCC 34a_100000210227_100009991516 [0,1,0,0,0,0|1,0,0]=2 2793 B16R0.61 CCCCOCCCCCCCC(=O)OCC 7a_100000210227_100009991516 [0,1,0,0,0,0|1,0,0]=2 2794 B16R0.61 CCCCOCCCCOCCC(=O)NCC 7a_200000760531_100000737597 [0,1,0,0,0,0|1,0,0]=2 2795 B16R0.61 CCCCOCCCCOCCC(=O)OCC 34a_200000760531_100000765890 [0,1,0,0,0,0|2,0,0]=3 2796 B16R0.61 CCCCOCCCCOCCC(=O)OCC 7a_200000760531_100011206558 [0,1,0,0,0,0|2,0,0]=3 2797 B16R0.61 CCCCOCCCCOCOC(=O)CCC 34a_200000760531_100000034017 [0,1,0,0,0,0|3,0,0]=4 2798 B16R0.61 CCCCOCCCNCCCC(=O)OCC 2230a_200000211371_100009991533 [0,1,0,0,0,0|2,0,0]=3 2799 B16R0.61 CCCCOCCCNCCCC(=O)OCC 34a_200000211371_100009991533 [0,1,0,0,0,0|2,0,0]=3 2800 B16R0.61 CCCCOCCCOCCCC(=O)OCC 34a_200011215613_100009991533 [0,1,0,0,0,0|2,0,0]=3 2801 B16R0.61 CCCCOCCCOCCCC(=O)OCC 7a_200011215613_100011215271 [0,1,0,0,0,0|2,0,0]=3 2802 B16R0.61 CCCCOCCCOCCNC(=O)OCC 7a_200011215613_200011445536 [0,1,0,0,0,0|3,0,0]=4 2803 B16R0.61 CCCCOCCOCCCCC(=O)OCC 34a_100000210238_100000750268 [0,1,0,0,0,0|2,0,0]=3 2804 B16R0.61 CCCCOCCOCCCCC(=O)OCC 7a_100000210238_100000750268 [0,1,0,0,0,0|2,0,0]=3 2805 B16R0.61 CCCCOCCOCCOCC(=O)CCC 7a_100011215186_100000747444 [0,1,0,0,0,0|3,0,0]=4 2806 B16R0.61 CCCCOCCOCCOCC(=O)NCC 34a_100011215186_100000183381 [0,1,0,0,0,0|2,0,0]=3 2807 B16R0.61 CCCCOCCOCCOCC(=O)NCC 7a_100011215186_100000183381 [0,1,0,0,0,0|2,0,0]=3 2808 B16R0.61 CCCCOCCOCCOCC(=O)NCO 34a_100011215186_100000185155 [0,1,0,0,0,0|3,0,0]=4 2809 B16R0.61 CCCCOCCOCCOCC(=O)NCO 7a_100011215186_100000185155 [0,1,0,0,0,0|3,0,0]=4 2810 B16R0.61 CCCCOCCOCCOCC(=O)OCC 34a_100000210238_100000088970 [0,1,0,0,0,0|3,0,0]=4 2811 B16R0.61 CCCCOCCOCCOCC(=O)OCC 34a_100011215186_100000188475 [0,1,0,0,0,0|3,0,0]=4 2812 B16R0.61 CCCCOCCOCCOCC(=O)OCC 7a_100000210238_100000088970 [0,1,0,0,0,0|3,0,0]=4 2813 B16R0.61 CCCCOCCOCCOCC(=O)OCC 7a_100011215186_100000188475 [0,1,0,0,0,0|3,0,0]=4 2814 B16R0.61 CCCCOCCOCCSCC(=O)OCC 7a_200000230590_100000743108 [0,1,0,0,0,0|3,0,0]=4 2815 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000743108_100000750268 [0,1,0,0,0,0|2,0,0]=3 2816 B16R0.61 CCCCOCCSCCCCC(=O)OCC 62a_100000750268_100000743108 [0,1,0,0,0,0|2,0,0]=3 2817 B16R0.61 CCCCOCCSCCOCC(=O)OCC 62a_100000088970_100000743108 [0,1,0,0,0,0|3,0,0]=4 2818 B16R0.61 CCCCOCCSCCOCC(=O)OCC 62a_100000743108_100000088970 [0,1,0,0,0,0|3,0,0]=4 2819 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100000755133_100011995733 [0,1,0,0,0,0|2,0,0]=3 2820 B16R0.61 CCCCOCSCCCCCC(=O)OCC 62a_100011995733_100000755133 [0,1,0,0,0,0|2,0,0]=3 2821 B16R0.61 CCCCOCSCCCOCC(=O)OCC 62a_100009893628_100011995733 [0,1,0,0,0,0|3,0,0]=4 2822 B16R0.61 CCCCOCSCCCOCC(=O)OCC 62a_100011995733_100009893628 [0,1,0,0,0,0|3,0,0]=4 2823 B16R0.61 CCCCSCCCCCCCC(=O)OCC 62a_100000210211_100009991516 [0,1,0,0,0,0|1,0,0]=2 2824 B16R0.61 CCCCSCCNCCCCC(=O)OCC 2230a_100025743550_100000750268 [0,1,0,0,0,0|2,0,0]=3 2825 B16R0.61 CCCCSCCNCCOCC(=O)OCC 2230a_100025743550_100000088970 [0,1,0,0,0,0|3,0,0]=4 2826 B16R0.61 CCCCSCCOCCCCC(=O)OCC 34a_200000230436_100000750268 [0,1,0,0,0,0|2,0,0]=3 2827 B16R0.61 CCCCSCCOCCCCC(=O)OCC 7a_200000230436_100000750268 [0,1,0,0,0,0|2,0,0]=3 2828 B16R0.61 CCCCSCCOCCOCC(=O)OCC 34a_200000230436_100000088970 [0,1,0,0,0,0|3,0,0]=4 2829 B16R0.61 CCCCSCCOCCOCC(=O)OCC 7a_200000230436_100000088970 [0,1,0,0,0,0|3,0,0]=4 2830 B16R0.61 CCCN(C)CCCCCCCCCCCO 2230a_100000747261_100009812471 [0,1,0,0,0,0|3,0,0]=4 2831 B16R0.61 CCCN(C)CCCCCCCCCCCO 269982a_100000747261_100009812471 [0,1,0,0,0,0|3,0,0]=4 2832 B16R0.61 CCCOCCCCCCCCC(=O)OCC 34a_100000210258_100010175975 [0,1,0,0,0,0|1,0,0]=2 2833 B16R0.61 CCCOCCCNCCCCC(=O)OCC 2230a_100011217757_100000750268 [0,1,0,0,0,0|2,0,0]=3 2834 B16R0.61 CCCOCCCNCCCCC(=O)OCC 34a_100011217757_100000750268 [0,1,0,0,0,0|2,0,0]=3 2835 B16R0.61 CCCOCCCNCCOCC(=O)OCC 2230a_100011217757_100000088970 [0,1,0,0,0,0|3,0,0]=4 2836 B16R0.61 CCCOCCCNCCOCC(=O)OCC 34a_100011217757_100000088970 [0,1,0,0,0,0|3,0,0]=4 2837 B16R0.61 CCCOCCNCCCCCC(=O)OCC 2230a_100161115042_100000755133 [0,1,0,0,0,0|2,0,0]=3 2838 B16R0.61 CCCOCCNCCCCCC(=O)OCC 34a_100161115042_100000755133 [0,1,0,0,0,0|2,0,0]=3 2839 B16R0.61 CCCOCCNCCCOCC(=O)OCC 2230a_100161115042_100009893628 [0,1,0,0,0,0|3,0,0]=4 2840 B16R0.61 CCCOCCNCCCOCC(=O)OCC 34a_100161115042_100009893628 [0,1,0,0,0,0|3,0,0]=4 2841 B16R0.61 CCCOCCOCCCCCC(=O)OCC 34a_100000752267_100000755133 [0,1,0,0,0,0|2,0,0]=3 2842 B16R0.61 CCCOCCOCCCCCC(=O)OCC 7a_100000752267_100000755133 [0,1,0,0,0,0|2,0,0]=3 2843 B16R0.61 CCCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215938 [0,1,0,0,0,0|2,0,0]=3 2844 B16R0.61 CCCOCCOCCCOCC(=O)OCC 34a_100000752267_100009893628 [0,1,0,0,0,0|3,0,0]=4 2845 B16R0.61 CCCOCCOCCCOCC(=O)OCC 7a_100000752267_100009893628 [0,1,0,0,0,0|3,0,0]=4 2846 B16R0.61 CCCOCCOCCNCCC(=O)NCC 2230a_200011904461_100000737597 [0,1,0,0,0,0|2,0,0]=3 2847 B16R0.61 CCCOCCOCCNCCC(=O)OCC 2230a_200011904461_100011206558 [0,1,0,0,0,0|3,0,0]=4 2848 B16R0.61 CCCOCCOCCNCCC(=O)OCC 34a_200011904461_100000765890 [0,1,0,0,0,0|3,0,0]=4 2849 B16R0.61 CCCOCCOCCOCCC(=O)OCC 34a_100010737887_100000210303 [0,1,0,0,0,0|3,0,0]=4 2850 B16R0.61 CCCOCCOCCOCCC(=O)OCC 7a_100010737887_100000210303 [0,1,0,0,0,0|3,0,0]=4 2851 B16R0.61 CCCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215938 [0,1,0,0,0,0|2,0,0]=3 2852 B16R0.61 CCCOCCSCCCCCC(=O)OCC 62a_100011215938_100000755133 [0,1,0,0,0,0|2,0,0]=3 2853 B16R0.61 CCCOCCSCCCOCC(=O)OCC 62a_100009893628_100011215938 [0,1,0,0,0,0|3,0,0]=4 2854 B16R0.61 CCCOCCSCCCOCC(=O)OCC 62a_100011215938_100009893628 [0,1,0,0,0,0|3,0,0]=4 2855 B16R0.61 CCCSCCCCCCCCC(=O)OCC 62a_100000210303_100010175975 [0,1,0,0,0,0|1,0,0]=2 2856 B16R0.61 CCCSCCNCCCCCC(=O)OCC 2230a_100020603323_100000755133 [0,1,0,0,0,0|2,0,0]=3 2857 B16R0.61 CCCSCCNCCCOCC(=O)OCC 2230a_100020603323_100009893628 [0,1,0,0,0,0|3,0,0]=4 2858 B16R0.61 CCCSCCOCCCCCC(=O)OCC 34a_200000230433_100000755133 [0,1,0,0,0,0|2,0,0]=3 2859 B16R0.61 CCCSCCOCCCCCC(=O)OCC 7a_200000230433_100000755133 [0,1,0,0,0,0|2,0,0]=3 2860 B16R0.61 CCCSCCOCCCOCC(=O)OCC 34a_200000230433_100009893628 [0,1,0,0,0,0|3,0,0]=4 2861 B16R0.61 CCCSCCOCCCOCC(=O)OCC 7a_200000230433_100009893628 [0,1,0,0,0,0|3,0,0]=4 2862 B16R0.61 CCNC(=O)CCCCCCCCCCCO 240690a_100015525214_100000037981 [0,1,0,0,0,0|0,0,0]=1 2863 B16R0.61 CCNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737597 [0,1,0,0,0,0|1,0,0]=2 2864 B16R0.61 CCNC(=O)CCNCCCCCCCCO 34a_100025743525_100000033203 [0,1,0,0,0,0|1,0,0]=2 2865 B16R0.61 CCNC(=O)CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000737597 [0,1,0,0,0,0|3,0,0]=4 2866 B16R0.61 CCNC(=O)CCNCCOCCOCCO 2230a_100011998139_100000737597 [0,1,0,0,0,0|3,0,0]=4 2867 B16R0.61 CCNC(=O)CCNCCOCCOCCO 34a_100025743525_100000032323 [0,1,0,0,0,0|3,0,0]=4 2868 B16R0.61 CCNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737597 [0,1,0,0,0,0|1,0,0]=2 2869 B16R0.61 CCNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737597 [0,1,0,0,0,0|1,0,0]=2 2870 B16R0.61 CCNC(=O)CCOCCCOCCCOC 7a_200011215475_100000737597 [0,1,0,0,0,0|2,0,0]=3 2871 B16R0.61 CCNC(=O)CCOCCOCCOCCBr 7a_100010132937_100000737597 [0,1,0,0,0,0|3,0,0]=4 2872 B16R0.61 CCNC(=O)CCOCCOCCOCCCl 7a_100000032323_100000737597 [0,1,0,0,0,0|3,0,0]=4 2873 B16R0.61 CCNC(=O)CCOCCOCCOCCO 240690a_100015525214_100010977405 [0,1,0,0,0,0|3,0,0]=4 2874 B16R0.61 CCNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737597 [0,1,0,0,0,0|1,0,0]=2 2875 B16R0.61 CCNC(=O)CCSCCCCCCCCO 62a_100000737597_100000033203 [0,1,0,0,0,0|1,0,0]=2 2876 B16R0.61 CCNC(=O)CCSCCOCCOCCO 62a_100000032323_100000737597 [0,1,0,0,0,0|3,0,0]=4 2877 B16R0.61 CCNC(=O)CCSCCOCCOCCO 62a_100000737597_100000032323 [0,1,0,0,0,0|3,0,0]=4 2878 B16R0.61 CCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183381 [0,1,0,0,0,0|1,0,0]=2 2879 B16R0.61 CCNC(=O)CNCCCCCCCCCO 2230a_100016988866_100009813782 [0,1,0,0,0,0|1,0,0]=2 2880 B16R0.61 CCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183381 [0,1,0,0,0,0|1,0,0]=2 2881 B16R0.61 CCNC(=O)CNCCCOCCOCCO 2230a_100011996194_100000183381 [0,1,0,0,0,0|3,0,0]=4 2882 B16R0.61 CCNC(=O)CNCCCOCCOCCO 34a_100011996194_100000183381 [0,1,0,0,0,0|3,0,0]=4 2883 B16R0.61 CCNC(=O)CNCCOCCOCCOC 2230a_100012028300_100000183381 [0,1,0,0,0,0|3,0,0]=4 2884 B16R0.61 CCNC(=O)CNCCOCCOCCOC 2230a_100016988866_100013367474 [0,1,0,0,0,0|3,0,0]=4 2885 B16R0.61 CCNC(=O)CNCCOCCOCCOC 34a_100012028300_100000183381 [0,1,0,0,0,0|3,0,0]=4 2886 B16R0.61 CCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183381 [0,1,0,0,0,0|1,0,0]=2 2887 B16R0.61 CCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183381 [0,1,0,0,0,0|1,0,0]=2 2888 B16R0.61 CCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183381 [0,1,0,0,0,0|1,0,0]=2 2889 B16R0.61 CCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183381 [0,1,0,0,0,0|1,0,0]=2 2890 B16R0.61 CCNC(=O)COCCCCCCCCCN 34a_100000078944_100000183381 [0,1,0,0,0,0|1,0,0]=2 2891 B16R0.61 CCNC(=O)COCCOCCOCCCN 34a_100011996194_100000183381 [0,1,0,0,0,0|3,0,0]=4 2892 B16R0.61 CCNC(=O)COCCOCCOCCNC 34a_200014138305_100000183381 [0,1,0,0,0,0|3,0,0]=4 2893 B16R0.61 CCNC(=O)COCCOCCOCCOC 11a_100015525214_100012826494 [0,1,0,0,0,0|3,0,0]=4 2894 B16R0.61 CCNC(=O)COCCOCCOCCOC 240690a_100015525214_100012826494 [0,1,0,0,0,0|3,0,0]=4 2895 B16R0.61 CCNC(=O)COCCOCCOCCOC 34a_100000688194_100000183381 [0,1,0,0,0,0|3,0,0]=4 2896 B16R0.61 CCNC(=O)COCCOCCOCCOC 527a_100015525214_100012826494 [0,1,0,0,0,0|3,0,0]=4 2897 B16R0.61 CCNC(=O)COCCOCCOCCOC 7a_100000688194_100000183381 [0,1,0,0,0,0|3,0,0]=4 2898 B16R0.61 CCNC(=O)CSCCCCCCCCCO 62a_100000183381_100009813782 [0,1,0,0,0,0|1,0,0]=2 2899 B16R0.61 CCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183381 [0,1,0,0,0,0|1,0,0]=2 2900 B16R0.61 CCNC(=O)CSCCOCCOCCOC 62a_100000183381_100013367474 [0,1,0,0,0,0|3,0,0]=4 2901 B16R0.61 CCNC(=O)CSCCOCCOCCOC 62a_100013367474_100000183381 [0,1,0,0,0,0|3,0,0]=4 2902 B16R0.61 CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100015525214 [0,1,0,0,0,0|1,0,0]=2 2903 B16R0.61 CCNC(=O)NCCCCCCCCCCO 2708a_100015525214_100000066964 [0,1,0,0,0,0|1,0,0]=2 2904 B16R0.61 CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100015525214 [0,1,0,0,0,0|1,0,0]=2 2905 B16R0.61 CCNC(=O)NCCCCCCCCCCO 273464a_100015525214_100000066964 [0,1,0,0,0,0|1,0,0]=2 2906 B16R0.61 CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100015525214 [0,1,0,0,0,0|1,0,0]=2 2907 B16R0.61 CCNC(=O)NCCCCCCCCCCO 512a_100015525214_100000066964 [0,1,0,0,0,0|1,0,0]=2 2908 B16R0.61 CCNC(=O)NCCOCCOCCOCC 2708a_100012282185_100015525214 [0,1,0,0,0,0|3,0,0]=4 2909 B16R0.61 CCNC(=O)NCCOCCOCCOCC 2708a_100015525214_100012282185 [0,1,0,0,0,0|3,0,0]=4 2910 B16R0.61 CCNC(=O)NCCOCCOCCOCC 273464a_100012282185_100015525214 [0,1,0,0,0,0|3,0,0]=4 2911 B16R0.61 CCNC(=O)NCCOCCOCCOCC 273464a_100015525214_100012282185 [0,1,0,0,0,0|3,0,0]=4 2912 B16R0.61 CCNC(=O)NCCOCCOCCOCC 512a_100012282185_100015525214 [0,1,0,0,0,0|3,0,0]=4 2913 B16R0.61 CCNCCCCCCCCCC(=O)OCC 2230a_100015525214_100009828014 [0,1,0,0,0,0|1,0,0]=2 2914 B16R0.61 CCNN=CCCCCCCCC(=O)OCC 4a_100000756455_100102623289 [0,1,0,0,0,0|2,0,1]=4 2915 B16R0.61 CCOC(=O)CCCCCCCCCCNC 2230a_106832991635_100009827693 [0,1,0,0,0,0|1,0,0]=2 2916 B16R0.61 CCOC(=O)CCCCCCCCCCNC 34a_100102657272_100009827693 [0,1,0,0,0,0|1,0,0]=2 2917 B16R0.61 CCOC(=O)CCCCCCCCCCNC 7a_106832991635_100009827693 [0,1,0,0,0,0|1,0,0]=2 2918 B16R0.61 CCOC(=O)CCCCCCCCCCOC 34a_100138415774_100009827693 [0,1,0,0,0,0|1,0,0]=2 2919 B16R0.61 CCOC(=O)CCCCCCCCCCSC 62a_200000210301_100009827693 [0,1,0,0,0,0|1,0,0]=2 2920 B16R0.61 CCOC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009827693 [0,1,0,0,0,0|1,0,0]=2 2921 B16R0.61 CCOC(=O)CCCCCCCCCSCC 62a_100000210202_100009828014 [0,1,0,0,0,0|1,0,0]=2 2922 B16R0.61 CCOC(=O)CCCCCCCCCSCF 62a_100015361967_100009828014 [0,1,0,0,0,0|2,0,0]=3 2923 B16R0.61 CCOC(=O)CCCCCCCCNCCF 34a_100000724931_100010175975 [0,1,0,0,0,0|2,0,0]=3 2924 B16R0.61 CCOC(=O)CCCCCCCCNCCO 2230a_100016997473_100010175975 [0,1,0,0,0,0|2,0,0]=3 2925 B16R0.61 CCOC(=O)CCCCCCCCNCCO 34a_100016990907_100010175975 [0,1,0,0,0,0|2,0,0]=3 2926 B16R0.61 CCOC(=O)CCCCCCCCOCCBr 34a_100000211926_100010175975 [0,1,0,0,0,0|2,0,0]=3 2927 B16R0.61 CCOC(=O)CCCCCCCCOCCN 34a_100000210304_100010175975 [0,1,0,0,0,0|2,0,0]=3 2928 B16R0.61 CCOC(=O)CCCCCCCCSCC#N 62a_100011215382_100010175975 [0,1,0,0,0,0|2,0,1]=4 2929 B16R0.61 CCOC(=O)CCCCCCCCSCC=O 62a_200015260668_100010175975 [0,1,0,0,0,0|2,0,1]=4 2930 B16R0.61 CCOC(=O)CCCCCCCCSCCF 62a_100011217306_100010175975 [0,1,0,0,0,0|2,0,0]=3 2931 B16R0.61 CCOC(=O)CCCCCCCCSCCO 62a_100000211926_100010175975 [0,1,0,0,0,0|2,0,0]=3 2932 B16R0.61 CCOC(=O)CCCCCCCCSCOC 62a_100000766300_100010175975 [0,1,0,0,0,0|2,0,0]=3 2933 B16R0.61 CCOC(=O)CCCCCCCCSCSC 62a_100011218213_100010175975 [0,1,0,0,0,0|2,0,0]=3 2934 B16R0.61 CCOC(=O)CCCCCCCNCCCF 2230a_100015189416_100009991516 [0,1,0,0,0,0|2,0,0]=3 2935 B16R0.61 CCOC(=O)CCCCCCCNCCCF 34a_100015189416_100009991516 [0,1,0,0,0,0|2,0,0]=3 2936 B16R0.61 CCOC(=O)CCCCCCCNCCOC 2230a_100000209980_100009991516 [0,1,0,0,0,0|2,0,0]=3 2937 B16R0.61 CCOC(=O)CCCCCCCNCCSC 2230a_100020590264_100009991516 [0,1,0,0,0,0|2,0,0]=3 2938 B16R0.61 CCOC(=O)CCCCCCCOCCCBr 34a_100011217188_100009991516 [0,1,0,0,0,0|2,0,0]=3 2939 B16R0.61 CCOC(=O)CCCCCCCOCCCCl 34a_100000230001_100009991516 [0,1,0,0,0,0|2,0,0]=3 2940 B16R0.61 CCOC(=O)CCCCCCCOCCCF 34a_100000759539_100009991516 [0,1,0,0,0,0|2,0,0]=3 2941 B16R0.61 CCOC(=O)CCCCCCCOCCCN 34a_100000182051_100009991516 [0,1,0,0,0,0|2,0,0]=3 2942 B16R0.61 CCOC(=O)CCCCCCCOCCOC 34a_100000210237_100009991516 [0,1,0,0,0,0|2,0,0]=3 2943 B16R0.61 CCOC(=O)CCCCCCCOCCON 34a_100000700252_100009991516 [0,1,0,0,0,0|3,0,0]=4 2944 B16R0.61 CCOC(=O)CCCCCCCOCCSC 34a_100000230434_100009991516 [0,1,0,0,0,0|2,0,0]=3 2945 B16R0.61 CCOC(=O)CCCCCCCOCCSC 7a_100000230434_100009991516 [0,1,0,0,0,0|2,0,0]=3 2946 B16R0.61 CCOC(=O)CCCCCCCSCCC#N 62a_100011215226_100009991516 [0,1,0,0,0,0|2,0,1]=4 2947 B16R0.61 CCOC(=O)CCCCCCCSCCCF 62a_100011934791_100009991516 [0,1,0,0,0,0|2,0,0]=3 2948 B16R0.61 CCOC(=O)CCCCCCCSCCCO 62a_100011215043_100009991516 [0,1,0,0,0,0|2,0,0]=3 2949 B16R0.61 CCOC(=O)CCCCCCCSCCOC 62a_100000233755_100009991516 [0,1,0,0,0,0|2,0,0]=3 2950 B16R0.61 CCOC(=O)CCCCCCCSCCSC 62a_100000212216_100009991516 [0,1,0,0,0,0|2,0,0]=3 2951 B16R0.61 CCOC(=O)CCCCCCNCCCCO 2230a_100000750430_100009814379 [0,1,0,0,0,0|2,0,0]=3 2952 B16R0.61 CCOC(=O)CCCCCCNCCCCO 34a_100000750430_100009814379 [0,1,0,0,0,0|2,0,0]=3 2953 B16R0.61 CCOC(=O)CCCCCCNCCCOC 34a_100150723488_100009814379 [0,1,0,0,0,0|2,0,0]=3 2954 B16R0.61 CCOC(=O)CCCCCCNCCCSC 2230a_100000749238_100009814379 [0,1,0,0,0,0|2,0,0]=3 2955 B16R0.61 CCOC(=O)CCCCCCNCCSCC 2230a_100000106463_100009814379 [0,1,0,0,0,0|2,0,0]=3 2956 B16R0.61 CCOC(=O)CCCCCCOCCCCBr 34a_100011216708_100009814379 [0,1,0,0,0,0|2,0,0]=3 2957 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 34a_100000210776_100009814379 [0,1,0,0,0,0|2,0,0]=3 2958 B16R0.61 CCOC(=O)CCCCCCOCCCCCl 7a_100000210776_100009814379 [0,1,0,0,0,0|2,0,0]=3 2959 B16R0.61 CCOC(=O)CCCCCCOCCCCF 34a_100011995726_100009814379 [0,1,0,0,0,0|2,0,0]=3 2960 B16R0.61 CCOC(=O)CCCCCCOCCCCF 7a_100011995726_100009814379 [0,1,0,0,0,0|2,0,0]=3 2961 B16R0.61 CCOC(=O)CCCCCCOCCCCI 34a_200012148704_100009814379 [0,1,0,0,0,0|2,0,0]=3 2962 B16R0.61 CCOC(=O)CCCCCCOCCCCN 34a_100000750430_100009814379 [0,1,0,0,0,0|2,0,0]=3 2963 B16R0.61 CCOC(=O)CCCCCCOCCCNC 34a_100000213112_100009814379 [0,1,0,0,0,0|2,0,0]=3 2964 B16R0.61 CCOC(=O)CCCCCCOCCCOC 34a_100000740835_100009814379 [0,1,0,0,0,0|2,0,0]=3 2965 B16R0.61 CCOC(=O)CCCCCCOCCCSC 34a_100000690336_100009814379 [0,1,0,0,0,0|2,0,0]=3 2966 B16R0.61 CCOC(=O)CCCCCCOCCCSC 7a_100000690336_100009814379 [0,1,0,0,0,0|2,0,0]=3 2967 B16R0.61 CCOC(=O)CCCCCCOCCSCC 34a_100000212035_100009814379 [0,1,0,0,0,0|2,0,0]=3 2968 B16R0.61 CCOC(=O)CCCCCCOCCSCC 7a_100000212035_100009814379 [0,1,0,0,0,0|2,0,0]=3 2969 B16R0.61 CCOC(=O)CCCCCCSCCCC#N 62a_100000687738_100009814379 [0,1,0,0,0,0|2,0,1]=4 2970 B16R0.61 CCOC(=O)CCCCCCSCCCC=O 62a_200011292268_100009814379 [0,1,0,0,0,0|2,0,1]=4 2971 B16R0.61 CCOC(=O)CCCCCCSCCCCF 62a_100000729493_100009814379 [0,1,0,0,0,0|2,0,0]=3 2972 B16R0.61 CCOC(=O)CCCCCCSCCCCO 62a_100000210776_100009814379 [0,1,0,0,0,0|2,0,0]=3 2973 B16R0.61 CCOC(=O)CCCCCCSCCCOC 62a_100000709357_100009814379 [0,1,0,0,0,0|2,0,0]=3 2974 B16R0.61 CCOC(=O)CCCCCCSCCSCC 62a_100000757381_100009814379 [0,1,0,0,0,0|2,0,0]=3 2975 B16R0.61 CCOC(=O)CCCCCNCCCCCO 2230a_100000762737_100000755133 [0,1,0,0,0,0|2,0,0]=3 2976 B16R0.61 CCOC(=O)CCCCCNCCCCCO 34a_100000762737_100000755133 [0,1,0,0,0,0|2,0,0]=3 2977 B16R0.61 CCOC(=O)CCCCCNCCOCCO 2230a_100000211614_100000755133 [0,1,0,0,0,0|3,0,0]=4 2978 B16R0.61 CCOC(=O)CCCCCNCCOCCO 34a_100000211614_100000755133 [0,1,0,0,0,0|3,0,0]=4 2979 B16R0.61 CCOC(=O)CCCCCNCCSCCO 2230a_100011219999_100000755133 [0,1,0,0,0,0|3,0,0]=4 2980 B16R0.61 CCOC(=O)CCCCCOCCCCC#N 7a_100011214988_100000211819 [0,1,0,0,0,0|2,0,1]=4 2981 B16R0.61 CCOC(=O)CCCCCOCCCCC=O 7a_100011214988_100000139335 [0,1,0,0,0,0|2,0,1]=4 2982 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 34a_100000746331_100000755133 [0,1,0,0,0,0|2,0,0]=3 2983 B16R0.61 CCOC(=O)CCCCCOCCCCCBr 7a_100000746331_100000755133 [0,1,0,0,0,0|2,0,0]=3 2984 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 34a_100000746330_100000755133 [0,1,0,0,0,0|2,0,0]=3 2985 B16R0.61 CCOC(=O)CCCCCOCCCCCCl 7a_100000746330_100000755133 [0,1,0,0,0,0|2,0,0]=3 2986 B16R0.61 CCOC(=O)CCCCCOCCCCCF 7a_100011214988_100000729378 [0,1,0,0,0,0|2,0,0]=3 2987 B16R0.61 CCOC(=O)CCCCCOCCCCCI 34a_200012148887_100000755133 [0,1,0,0,0,0|2,0,0]=3 2988 B16R0.61 CCOC(=O)CCCCCOCCCCCI 7a_200012148887_100000755133 [0,1,0,0,0,0|2,0,0]=3 2989 B16R0.61 CCOC(=O)CCCCCOCCCCCN 34a_100000762737_100000755133 [0,1,0,0,0,0|2,0,0]=3 2990 B16R0.61 CCOC(=O)CCCCCOCCCCCO 7a_100011214988_100000746330 [0,1,0,0,0,0|2,0,0]=3 2991 B16R0.61 CCOC(=O)CCCCCOCCCCOC 34a_100000740925_100000755133 [0,1,0,0,0,0|2,0,0]=3 2992 B16R0.61 CCOC(=O)CCCCCOCCCCOC 7a_100011214988_100000730899 [0,1,0,0,0,0|2,0,0]=3 2993 B16R0.61 CCOC(=O)CCCCCOCCCCSC 34a_100011217163_100000755133 [0,1,0,0,0,0|2,0,0]=3 2994 B16R0.61 CCOC(=O)CCCCCOCCCCSC 7a_100011217163_100000755133 [0,1,0,0,0,0|2,0,0]=3 2995 B16R0.61 CCOC(=O)CCCCCOCCCSCC 34a_100011216438_100000755133 [0,1,0,0,0,0|2,0,0]=3 2996 B16R0.61 CCOC(=O)CCCCCOCCCSCC 7a_100011216438_100000755133 [0,1,0,0,0,0|2,0,0]=3 2997 B16R0.61 CCOC(=O)CCCCCOCCOCCBr 34a_100000692535_100000755133 [0,1,0,0,0,0|3,0,0]=4 2998 B16R0.61 CCOC(=O)CCCCCOCCOCCBr 7a_100000692535_100000755133 [0,1,0,0,0,0|3,0,0]=4 2999 B16R0.61 CCOC(=O)CCCCCOCCOCCCl 34a_100011215305_100000755133 [0,1,0,0,0,0|3,0,0]=4 3000 B16R0.61 CCOC(=O)CCCCCOCCOCCCl 7a_100011215305_100000755133 [0,1,0,0,0,0|3,0,0]=4 3001 B16R0.61 CCOC(=O)CCCCCOCCOCCF 34a_200015357709_100000755133 [0,1,0,0,0,0|3,0,0]=4 3002 B16R0.61 CCOC(=O)CCCCCOCCOCCF 7a_200015357709_100000755133 [0,1,0,0,0,0|3,0,0]=4 3003 B16R0.61 CCOC(=O)CCCCCOCCOCCI 34a_100012149058_100000755133 [0,1,0,0,0,0|3,0,0]=4 3004 B16R0.61 CCOC(=O)CCCCCOCCOCCI 7a_100012149058_100000755133 [0,1,0,0,0,0|3,0,0]=4 3005 B16R0.61 CCOC(=O)CCCCCOCCOCCN 34a_100000211614_100000755133 [0,1,0,0,0,0|3,0,0]=4 3006 B16R0.61 CCOC(=O)CCCCCOCCOCCO 7a_100011214988_100011215305 [0,1,0,0,0,0|3,0,0]=4 3007 B16R0.61 CCOC(=O)CCCCCSCCCCC#N 62a_100000755133_100000211819 [0,1,0,0,0,0|2,0,1]=4 3008 B16R0.61 CCOC(=O)CCCCCSCCCCC#N 62a_100011219923_100000755133 [0,1,0,0,0,0|2,0,1]=4 3009 B16R0.61 CCOC(=O)CCCCCSCCCCC=O 62a_100000139335_100000755133 [0,1,0,0,0,0|2,0,1]=4 3010 B16R0.61 CCOC(=O)CCCCCSCCCCC=O 62a_100000755133_100000139335 [0,1,0,0,0,0|2,0,1]=4 3011 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000729378_100000755133 [0,1,0,0,0,0|2,0,0]=3 3012 B16R0.61 CCOC(=O)CCCCCSCCCCCF 62a_100000755133_100000729378 [0,1,0,0,0,0|2,0,0]=3 3013 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000746330_100000755133 [0,1,0,0,0,0|2,0,0]=3 3014 B16R0.61 CCOC(=O)CCCCCSCCCCCO 62a_100000755133_100000746330 [0,1,0,0,0,0|2,0,0]=3 3015 B16R0.61 CCOC(=O)CCCCCSCCCCOC 62a_100000730899_100000755133 [0,1,0,0,0,0|2,0,0]=3 3016 B16R0.61 CCOC(=O)CCCCCSCCCCOC 62a_100000755133_100000730899 [0,1,0,0,0,0|2,0,0]=3 3017 B16R0.61 CCOC(=O)CCCCCSCCOCCO 62a_100000755133_100011215305 [0,1,0,0,0,0|3,0,0]=4 3018 B16R0.61 CCOC(=O)CCCCCSCCOCCO 62a_100011215305_100000755133 [0,1,0,0,0,0|3,0,0]=4 3019 B16R0.61 CCOC(=O)CCCCCSCOCCOC 62a_100000231047_100000755133 [0,1,0,0,0,0|3,0,0]=4 3020 B16R0.61 CCOC(=O)CCCCCSCOCCOC 62a_100000755133_100000231047 [0,1,0,0,0,0|3,0,0]=4 3021 B16R0.61 CCOC(=O)CCCCNCCCCCCO 2230a_100000686447_100000750268 [0,1,0,0,0,0|2,0,0]=3 3022 B16R0.61 CCOC(=O)CCCCNCCCCCCO 34a_100000686447_100000750268 [0,1,0,0,0,0|2,0,0]=3 3023 B16R0.61 CCOC(=O)CCCCNCCCCCOC 2230a_100000747528_100000750268 [0,1,0,0,0,0|2,0,0]=3 3024 B16R0.61 CCOC(=O)CCCCNCCCCCOC 34a_100000747528_100000750268 [0,1,0,0,0,0|2,0,0]=3 3025 B16R0.61 CCOC(=O)CCCCNCCOCCOC 2230a_100000745349_100000750268 [0,1,0,0,0,0|3,0,0]=4 3026 B16R0.61 CCOC(=O)CCCCNCCOCCOC 34a_100000745349_100000750268 [0,1,0,0,0,0|3,0,0]=4 3027 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 34a_100011215345_100000750268 [0,1,0,0,0,0|2,0,0]=3 3028 B16R0.61 CCOC(=O)CCCCOCCCCCCBr 7a_100011215345_100000750268 [0,1,0,0,0,0|2,0,0]=3 3029 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 34a_100000766143_100000750268 [0,1,0,0,0,0|2,0,0]=3 3030 B16R0.61 CCOC(=O)CCCCOCCCCCCCl 7a_100000766143_100000750268 [0,1,0,0,0,0|2,0,0]=3 3031 B16R0.61 CCOC(=O)CCCCOCCCCCCF 34a_100000732779_100000750268 [0,1,0,0,0,0|2,0,0]=3 3032 B16R0.61 CCOC(=O)CCCCOCCCCCCF 7a_100000732779_100000750268 [0,1,0,0,0,0|2,0,0]=3 3033 B16R0.61 CCOC(=O)CCCCOCCCCCCN 34a_100000686447_100000750268 [0,1,0,0,0,0|2,0,0]=3 3034 B16R0.61 CCOC(=O)CCCCOCCCCCNC 34a_100000722520_100000750268 [0,1,0,0,0,0|2,0,0]=3 3035 B16R0.61 CCOC(=O)CCCCOCCOCCNC 34a_100000228057_100000750268 [0,1,0,0,0,0|3,0,0]=4 3036 B16R0.61 CCOC(=O)CCCCOCCOCCOC 34a_100011215163_100000750268 [0,1,0,0,0,0|3,0,0]=4 3037 B16R0.61 CCOC(=O)CCCCOCCOCCOC 7a_100011215163_100000750268 [0,1,0,0,0,0|3,0,0]=4 3038 B16R0.61 CCOC(=O)CCCCSCCCCCC#N 62a_100000750268_100009813376 [0,1,0,0,0,0|2,0,1]=4 3039 B16R0.61 CCOC(=O)CCCCSCCCCCC#N 62a_100009813376_100000750268 [0,1,0,0,0,0|2,0,1]=4 3040 B16R0.61 CCOC(=O)CCCCSCCCCCC=O 62a_100000139337_100000750268 [0,1,0,0,0,0|2,0,1]=4 3041 B16R0.61 CCOC(=O)CCCCSCCCCCC=O 62a_100000750268_100000139337 [0,1,0,0,0,0|2,0,1]=4 3042 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100000750268_100015922095 [0,1,0,0,0,0|2,0,0]=3 3043 B16R0.61 CCOC(=O)CCCCSCCCCCCF 62a_100015922095_100000750268 [0,1,0,0,0,0|2,0,0]=3 3044 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000750268_100000766143 [0,1,0,0,0,0|2,0,0]=3 3045 B16R0.61 CCOC(=O)CCCCSCCCCCCO 62a_100000766143_100000750268 [0,1,0,0,0,0|2,0,0]=3 3046 B16R0.61 CCOC(=O)CCCCSCCOCCOC 62a_100000695917_100000750268 [0,1,0,0,0,0|3,0,0]=4 3047 B16R0.61 CCOC(=O)CCCCSCCOCCOC 62a_100000750268_100000695917 [0,1,0,0,0,0|3,0,0]=4 3048 B16R0.61 CCOC(=O)CCCNCCCCCCCO 2230a_100011996573_100009991533 [0,1,0,0,0,0|2,0,0]=3 3049 B16R0.61 CCOC(=O)CCCNCCCCCCCO 34a_100011996573_100009991533 [0,1,0,0,0,0|2,0,0]=3 3050 B16R0.61 CCOC(=O)CCCNCCCOCCCO 2230a_100011310245_100009991533 [0,1,0,0,0,0|3,0,0]=4 3051 B16R0.61 CCOC(=O)CCCNCCCOCCCO 34a_100011310245_100009991533 [0,1,0,0,0,0|3,0,0]=4 3052 B16R0.61 CCOC(=O)CCCNCCCOCCOC 2230a_100000206027_100009991533 [0,1,0,0,0,0|3,0,0]=4 3053 B16R0.61 CCOC(=O)CCCNCCCOCCOC 34a_100000206027_100009991533 [0,1,0,0,0,0|3,0,0]=4 3054 B16R0.61 CCOC(=O)CCCOCCCCCCC#N 7a_100012001163_100009813337 [0,1,0,0,0,0|2,0,1]=4 3055 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 34a_100000760002_100009991533 [0,1,0,0,0,0|2,0,0]=3 3056 B16R0.61 CCOC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215271 [0,1,0,0,0,0|2,0,0]=3 3057 B16R0.61 CCOC(=O)CCCOCCCCCCCN 34a_100011996573_100009991533 [0,1,0,0,0,0|2,0,0]=3 3058 B16R0.61 CCOC(=O)CCCOCCCCCCCO 7a_100012001163_100000760002 [0,1,0,0,0,0|2,0,0]=3 3059 B16R0.61 CCOC(=O)CCCOCCCCCCOC 34a_200012092642_100009991533 [0,1,0,0,0,0|2,0,0]=3 3060 B16R0.61 CCOC(=O)CCCOCCCCCCOC 7a_100012001163_100011998445 [0,1,0,0,0,0|2,0,0]=3 3061 B16R0.61 CCOC(=O)CCCOCCCCCCOC 7a_200012092642_100011215271 [0,1,0,0,0,0|2,0,0]=3 3062 B16R0.61 CCOC(=O)CCCOCCCOCCCN 34a_100011310245_100009991533 [0,1,0,0,0,0|3,0,0]=4 3063 B16R0.61 CCOC(=O)CCCOCCCOCCOC 7a_100012001163_100011216529 [0,1,0,0,0,0|3,0,0]=4 3064 B16R0.61 CCOC(=O)CCCSCCCCCCC#N 62a_100009813337_100009991533 [0,1,0,0,0,0|2,0,1]=4 3065 B16R0.61 CCOC(=O)CCCSCCCCCCC#N 62a_100009991533_100009813337 [0,1,0,0,0,0|2,0,1]=4 3066 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100000760002_100009991533 [0,1,0,0,0,0|2,0,0]=3 3067 B16R0.61 CCOC(=O)CCCSCCCCCCCO 62a_100009991533_100000760002 [0,1,0,0,0,0|2,0,0]=3 3068 B16R0.61 CCOC(=O)CCCSCCCCCCOC 62a_100009991533_100011998445 [0,1,0,0,0,0|2,0,0]=3 3069 B16R0.61 CCOC(=O)CCCSCCCCCCOC 62a_100011998445_100009991533 [0,1,0,0,0,0|2,0,0]=3 3070 B16R0.61 CCOC(=O)CCCSCCCOCCOC 62a_100009991533_100011216529 [0,1,0,0,0,0|3,0,0]=4 3071 B16R0.61 CCOC(=O)CCCSCCCOCCOC 62a_100011216529_100009991533 [0,1,0,0,0,0|3,0,0]=4 3072 B16R0.61 CCOC(=O)CCNCCCCCCCCO 2230a_102515433106_100011206558 [0,1,0,0,0,0|2,0,0]=3 3073 B16R0.61 CCOC(=O)CCNCCCCCCCCO 34a_102515433106_100000765890 [0,1,0,0,0,0|2,0,0]=3 3074 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 34a_100009813846_100000765890 [0,1,0,0,0,0|2,0,0]=3 3075 B16R0.61 CCOC(=O)CCOCCCCCCCCBr 7a_100009813846_100011206558 [0,1,0,0,0,0|2,0,0]=3 3076 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 34a_100000033203_100000765890 [0,1,0,0,0,0|2,0,0]=3 3077 B16R0.61 CCOC(=O)CCOCCCCCCCCCl 7a_100000033203_100011206558 [0,1,0,0,0,0|2,0,0]=3 3078 B16R0.61 CCOC(=O)CCOCCCCCCCCN 34a_102515433106_100000765890 [0,1,0,0,0,0|2,0,0]=3 3079 B16R0.61 CCOC(=O)CCOCCCCCNCCN 34a_103619048469_100000765890 [0,1,0,0,0,0|3,0,0]=4 3080 B16R0.61 CCOC(=O)CCOCCCOCCCOC 34a_200011215475_100000765890 [0,1,0,0,0,0|3,0,0]=4 3081 B16R0.61 CCOC(=O)CCOCCCOCCCOC 7a_200011215475_100011206558 [0,1,0,0,0,0|3,0,0]=4 3082 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000033203_100000765890 [0,1,0,0,0,0|2,0,0]=3 3083 B16R0.61 CCOC(=O)CCSCCCCCCCCO 62a_100000765890_100000033203 [0,1,0,0,0,0|2,0,0]=3 3084 B16R0.61 CCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000188475 [0,1,0,0,0,0|2,0,0]=3 3085 B16R0.61 CCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000188475 [0,1,0,0,0,0|2,0,0]=3 3086 B16R0.61 CCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000188475 [0,1,0,0,0,0|2,0,0]=3 3087 B16R0.61 CCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000188475 [0,1,0,0,0,0|2,0,0]=3 3088 B16R0.61 CCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000188475 [0,1,0,0,0,0|2,0,0]=3 3089 B16R0.61 CCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000188475 [0,1,0,0,0,0|2,0,0]=3 3090 B16R0.61 CCOC(=O)COCCCCCCCCCN 34a_100000078944_100000188475 [0,1,0,0,0,0|2,0,0]=3 3091 B16R0.61 CCOC(=O)COCCCNCCCCCO 2230a_100000762737_100009893628 [0,1,0,0,0,0|3,0,0]=4 3092 B16R0.61 CCOC(=O)COCCCNCCCCCO 34a_100000762737_100009893628 [0,1,0,0,0,0|3,0,0]=4 3093 B16R0.61 CCOC(=O)COCCCOCCCCCBr 34a_100000746331_100009893628 [0,1,0,0,0,0|3,0,0]=4 3094 B16R0.61 CCOC(=O)COCCCOCCCCCBr 7a_100000746331_100009893628 [0,1,0,0,0,0|3,0,0]=4 3095 B16R0.61 CCOC(=O)COCCCOCCCCCCl 34a_100000746330_100009893628 [0,1,0,0,0,0|3,0,0]=4 3096 B16R0.61 CCOC(=O)COCCCOCCCCCCl 7a_100000746330_100009893628 [0,1,0,0,0,0|3,0,0]=4 3097 B16R0.61 CCOC(=O)COCCCOCCCCCI 34a_200012148887_100009893628 [0,1,0,0,0,0|3,0,0]=4 3098 B16R0.61 CCOC(=O)COCCCOCCCCCI 7a_200012148887_100009893628 [0,1,0,0,0,0|3,0,0]=4 3099 B16R0.61 CCOC(=O)COCCCOCCCCCN 34a_100000762737_100009893628 [0,1,0,0,0,0|3,0,0]=4 3100 B16R0.61 CCOC(=O)COCCCOCCCCOC 34a_100000740925_100009893628 [0,1,0,0,0,0|3,0,0]=4 3101 B16R0.61 CCOC(=O)COCCCOCCCCSC 34a_100011217163_100009893628 [0,1,0,0,0,0|3,0,0]=4 3102 B16R0.61 CCOC(=O)COCCCOCCCCSC 7a_100011217163_100009893628 [0,1,0,0,0,0|3,0,0]=4 3103 B16R0.61 CCOC(=O)COCCCOCCCSCC 34a_100011216438_100009893628 [0,1,0,0,0,0|3,0,0]=4 3104 B16R0.61 CCOC(=O)COCCCOCCCSCC 7a_100011216438_100009893628 [0,1,0,0,0,0|3,0,0]=4 3105 B16R0.61 CCOC(=O)COCCCSCCCCCF 62a_100000729378_100009893628 [0,1,0,0,0,0|3,0,0]=4 3106 B16R0.61 CCOC(=O)COCCCSCCCCCF 62a_100009893628_100000729378 [0,1,0,0,0,0|3,0,0]=4 3107 B16R0.61 CCOC(=O)COCCCSCCCCCO 62a_100000746330_100009893628 [0,1,0,0,0,0|3,0,0]=4 3108 B16R0.61 CCOC(=O)COCCCSCCCCCO 62a_100009893628_100000746330 [0,1,0,0,0,0|3,0,0]=4 3109 B16R0.61 CCOC(=O)COCCCSCCCCOC 62a_100000730899_100009893628 [0,1,0,0,0,0|3,0,0]=4 3110 B16R0.61 CCOC(=O)COCCCSCCCCOC 62a_100009893628_100000730899 [0,1,0,0,0,0|3,0,0]=4 3111 B16R0.61 CCOC(=O)COCCNCCCCCCO 2230a_100000686447_100000088970 [0,1,0,0,0,0|3,0,0]=4 3112 B16R0.61 CCOC(=O)COCCNCCCCCCO 34a_100000686447_100000088970 [0,1,0,0,0,0|3,0,0]=4 3113 B16R0.61 CCOC(=O)COCCNCCCCCOC 2230a_100000747528_100000088970 [0,1,0,0,0,0|3,0,0]=4 3114 B16R0.61 CCOC(=O)COCCNCCCCCOC 34a_100000747528_100000088970 [0,1,0,0,0,0|3,0,0]=4 3115 B16R0.61 CCOC(=O)COCCOCCCCCCBr 34a_100011215345_100000088970 [0,1,0,0,0,0|3,0,0]=4 3116 B16R0.61 CCOC(=O)COCCOCCCCCCBr 7a_100011215345_100000088970 [0,1,0,0,0,0|3,0,0]=4 3117 B16R0.61 CCOC(=O)COCCOCCCCCCCl 34a_100000766143_100000088970 [0,1,0,0,0,0|3,0,0]=4 3118 B16R0.61 CCOC(=O)COCCOCCCCCCCl 7a_100000766143_100000088970 [0,1,0,0,0,0|3,0,0]=4 3119 B16R0.61 CCOC(=O)COCCOCCCCCCF 34a_100000732779_100000088970 [0,1,0,0,0,0|3,0,0]=4 3120 B16R0.61 CCOC(=O)COCCOCCCCCCF 7a_100000732779_100000088970 [0,1,0,0,0,0|3,0,0]=4 3121 B16R0.61 CCOC(=O)COCCOCCCCCCN 34a_100000686447_100000088970 [0,1,0,0,0,0|3,0,0]=4 3122 B16R0.61 CCOC(=O)COCCOCCCCCNC 34a_100000722520_100000088970 [0,1,0,0,0,0|3,0,0]=4 3123 B16R0.61 CCOC(=O)COCCSCCCCCCF 62a_100000088970_100015922095 [0,1,0,0,0,0|3,0,0]=4 3124 B16R0.61 CCOC(=O)COCCSCCCCCCF 62a_100015922095_100000088970 [0,1,0,0,0,0|3,0,0]=4 3125 B16R0.61 CCOC(=O)COCCSCCCCCCO 62a_100000088970_100000766143 [0,1,0,0,0,0|3,0,0]=4 3126 B16R0.61 CCOC(=O)COCCSCCCCCCO 62a_100000766143_100000088970 [0,1,0,0,0,0|3,0,0]=4 3127 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100000188475_100009813782 [0,1,0,0,0,0|2,0,0]=3 3128 B16R0.61 CCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000188475 [0,1,0,0,0,0|2,0,0]=3 3129 B16R0.61 CCOC(=O)CSCCOCCCCCCF 7a_200000230590_100015922095 [0,1,0,0,0,0|3,0,0]=4 3130 B16R0.61 CCOC(=O)CSCCOCCCCCCO 7a_200000230590_100000766143 [0,1,0,0,0,0|3,0,0]=4 3131 B16R0.61 CCOC(=O)NCCOCCCCCCCBr 7a_100000760002_200011445536 [0,1,0,0,0,0|3,0,0]=4 3132 B16R0.61 CCOC(=O)NCCOCCCCCCCO 34a_100000158857_100000760002 [0,1,0,0,0,0|3,0,0]=4 3133 B16R0.61 CCOC(=O)NCCOCCCCCCOC 34a_100000158857_100011998445 [0,1,0,0,0,0|3,0,0]=4 3134 B16R0.61 CCOC(=O)NCCOCCCCCCOC 7a_200012092642_200011445536 [0,1,0,0,0,0|3,0,0]=4 3135 B16R0.61 CCOC(=O)NCCSCCCCCCCO 62a_100000760002_200011445536 [0,1,0,0,0,0|3,0,0]=4 3136 B16R0.61 CCOC(=O)NCCSCCCCCCOC 62a_100011998445_200011445536 [0,1,0,0,0,0|3,0,0]=4 3137 B16R0.61 CCOC(=O)OCSCCCCCCCCO 62a_100000033203_100000075025 [0,1,0,0,0,0|3,0,0]=4 3138 B16R0.61 CCOCCCCCCCCCC(=O)OCC 34a_100121572206_100009828014 [0,1,0,0,0,0|1,0,0]=2 3139 B16R0.61 CCOCCCNCCCCCC(=O)OCC 2230a_100000210961_100000755133 [0,1,0,0,0,0|2,0,0]=3 3140 B16R0.61 CCOCCCNCCCCCC(=O)OCC 34a_100000210961_100000755133 [0,1,0,0,0,0|2,0,0]=3 3141 B16R0.61 CCOCCCNCCCOCC(=O)OCC 2230a_100000210961_100009893628 [0,1,0,0,0,0|3,0,0]=4 3142 B16R0.61 CCOCCCNCCCOCC(=O)OCC 34a_100000210961_100009893628 [0,1,0,0,0,0|3,0,0]=4 3143 B16R0.61 CCOCCCOCCCCCC(=O)OCC 34a_100000757476_100000755133 [0,1,0,0,0,0|2,0,0]=3 3144 B16R0.61 CCOCCCOCCCCCC(=O)OCC 7a_100000757476_100000755133 [0,1,0,0,0,0|2,0,0]=3 3145 B16R0.61 CCOCCCOCCCCCC(=O)OCC 7a_100011214988_100012232248 [0,1,0,0,0,0|2,0,0]=3 3146 B16R0.61 CCOCCCOCCCOCC(=O)OCC 34a_100000757476_100009893628 [0,1,0,0,0,0|3,0,0]=4 3147 B16R0.61 CCOCCCOCCCOCC(=O)OCC 7a_100000757476_100009893628 [0,1,0,0,0,0|3,0,0]=4 3148 B16R0.61 CCOCCCSCCCCCC(=O)OCC 62a_100000755133_100012232248 [0,1,0,0,0,0|2,0,0]=3 3149 B16R0.61 CCOCCCSCCCCCC(=O)OCC 62a_100012232248_100000755133 [0,1,0,0,0,0|2,0,0]=3 3150 B16R0.61 CCOCCCSCCCOCC(=O)OCC 62a_100009893628_100012232248 [0,1,0,0,0,0|3,0,0]=4 3151 B16R0.61 CCOCCCSCCCOCC(=O)OCC 62a_100012232248_100009893628 [0,1,0,0,0,0|3,0,0]=4 3152 B16R0.61 CCOCCNCCCCCCC(=O)OCC 2230a_102516460346_100009814379 [0,1,0,0,0,0|2,0,0]=3 3153 B16R0.61 CCOCCNCCCCCCC(=O)OCC 34a_102516460346_100009814379 [0,1,0,0,0,0|2,0,0]=3 3154 B16R0.61 CCOCCOCCCCCCC(=O)OCC 34a_100000210136_100009814379 [0,1,0,0,0,0|2,0,0]=3 3155 B16R0.61 CCOCCOCCCCCCC(=O)OCC 7a_100000210136_100009814379 [0,1,0,0,0,0|2,0,0]=3 3156 B16R0.61 CCOCCOCCNCCCC(=O)OCC 2230a_100102712874_100009991533 [0,1,0,0,0,0|3,0,0]=4 3157 B16R0.61 CCOCCOCCNCCCC(=O)OCC 34a_100102712874_100009991533 [0,1,0,0,0,0|3,0,0]=4 3158 B16R0.61 CCOCCOCCOCCCC(=O)OCC 34a_100000210240_100009991533 [0,1,0,0,0,0|3,0,0]=4 3159 B16R0.61 CCOCCOCCOCCCC(=O)OCC 7a_100000210240_100011215271 [0,1,0,0,0,0|3,0,0]=4 3160 B16R0.61 CCOCCOCCOCCCC(=O)OCC 7a_100012001163_100011211534 [0,1,0,0,0,0|3,0,0]=4 3161 B16R0.61 CCOCCOCCSCCCC(=O)OCC 62a_100009991533_100011211534 [0,1,0,0,0,0|3,0,0]=4 3162 B16R0.61 CCOCCOCCSCCCC(=O)OCC 62a_100011211534_100009991533 [0,1,0,0,0,0|3,0,0]=4 3163 B16R0.61 CCOCCSCCCCCCC(=O)OCC 62a_100000210147_100009814379 [0,1,0,0,0,0|2,0,0]=3 3164 B16R0.61 CCOCSCCCCCCCC(=O)OCC 62a_100000739092_100009991516 [0,1,0,0,0,0|2,0,0]=3 3165 B16R0.61 CNNC(=O)CCCCCCCCCCCO 22a_100016993582_100000037981 [0,1,0,0,0,0|1,0,0]=2 3166 B16R0.61 CNNC(=O)NCCCCCCCCCCO 273464a_100000066964_100016993582 [0,1,0,0,0,0|2,0,0]=3 3167 B16R0.61 CNNC(=O)NCCCCCCCCCCO 512a_100000066964_100016993582 [0,1,0,0,0,0|2,0,0]=3 3168 B16R0.61 CNNC(=O)NCCCCCCCCCCO 512a_100016993582_100000066964 [0,1,0,0,0,0|2,0,0]=3 3169 B16R0.61 COCC(=O)CCCCCCCCCCCO 1458a_100000210968_100009812471 [0,1,0,0,0,0|2,0,0]=3 3170 B16R0.61 COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210968 [0,1,0,0,0,0|3,0,0]=4 3171 B16R0.61 CSCC(=O)CCCCCCCCCCCO 1458a_100000184570_100009812471 [0,1,0,0,0,0|2,0,0]=3 3172 B16R0.61 CSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000184570 [0,1,0,0,0,0|3,0,0]=4 3173 B16R0.61 N#CCC(=O)CCCCCCCCCCCO 1458a_100051588842_100009812471 [0,1,0,0,0,0|2,0,1]=4 3174 B16R0.61 NCCCCCCCCCOCC(=O)NCO 34a_100000078944_100000185155 [0,1,0,0,0,0|2,0,0]=3 3175 B16R0.61 O=C(C=CBr)CCCCCCCCCCCO 1458a_100016273825_100009812471 [0,1,0,0,0,0|2,0,1]=4 3176 B16R0.61 O=C(C=CCl)CCCCCCCCCCCO 1458a_200016279998_100009812471 [0,1,0,0,0,0|2,0,1]=4 3177 B16R0.61 O=C(C=CI)CCCCCCCCCCCO 1458a_100016256311_100009812471 [0,1,0,0,0,0|2,0,1]=4 3178 B16R0.61 O=C(CCO)CCCCCCCCCCCO 1458a_100011216618_100009812471 [0,1,0,0,0,0|2,0,0]=3 3179 B16R0.61 O=C(CCO)NCCCCCCCCCCO 240690a_100000066964_100011216618 [0,1,0,0,0,0|3,0,0]=4 3180 B16R0.61 O=C(CNCCCCCCCCCO)NCO 2230a_100000078944_100000185155 [0,1,0,0,0,0|2,0,0]=3 3181 B16R0.61 O=C(CNCCCCCCCCCO)NCO 34a_100000078944_100000185155 [0,1,0,0,0,0|2,0,0]=3 3182 B16R0.61 O=C(COCCCCCCCCCBr)NCO 34a_100009813782_100000185155 [0,1,0,0,0,0|2,0,0]=3 3183 B16R0.61 O=C(COCCCCCCCCCBr)NCO 7a_100009813782_100000185155 [0,1,0,0,0,0|2,0,0]=3 3184 B16R0.61 O=C(COCCCCCCCCCCl)NCO 34a_100009868337_100000185155 [0,1,0,0,0,0|2,0,0]=3 3185 B16R0.61 O=C(COCCCCCCCCCCl)NCO 7a_100009868337_100000185155 [0,1,0,0,0,0|2,0,0]=3 3186 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100000185155_100009813782 [0,1,0,0,0,0|2,0,0]=3 3187 B16R0.61 O=C(CSCCCCCCCCCO)NCO 62a_100009813782_100000185155 [0,1,0,0,0,0|2,0,0]=3 3188 B16R0.70 C#CC(C)C(=O)CCCCCCCCCCC 1458a_100000210736_200000035995 [0,1,0,0,0,0|1,0,2]=4 3189 B16R0.70 C#CCCCCCCCOCC(=O)N(C)CC 34a_100000054614_100000738999 [0,1,0,0,0,0|1,0,2]=4 3190 B16R0.70 C#CCCCCCCCOCC(=O)N(C)CC 7a_100000054614_100000738999 [0,1,0,0,0,0|1,0,2]=4 3191 B16R0.70 C#CCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100153394163 [0,1,0,0,0,0|1,0,2]=4 3192 B16R0.70 C#CCCCCCCCSCC(=O)N(C)CC 62a_100153394163_100000738999 [0,1,0,0,0,0|1,0,2]=4 3193 B16R0.70 C/C=C(\C)/C(=O)CCCCCCCCCCC 1458a_100020587367_100011215454 [0,1,0,0,0,0|1,0,1]=3 3194 B16R0.70 C/C=C(\C)/C(=O)CCCCCCCCCCO 1458a_100020587367_100009813290 [0,1,0,0,0,0|2,0,1]=4 3195 B16R0.70 C/C=C(\C)/C(=O)NCCCCCCCCCC 11a_100000684558_100020587367 [0,1,0,0,0,0|2,0,1]=4 3196 B16R0.70 C/C=C(\C)/C(=O)NCCCCCCCCCC 1626a_100000684558_100020587367 [0,1,0,0,0,0|2,0,1]=4 3197 B16R0.70 C=CC(C)C(=O)CCCCCCCCCCC 1458a_100011216780_100011215454 [0,1,0,0,0,0|1,0,2]=4 3198 B16R0.70 C=CCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100009814027 [0,1,0,0,0,0|1,0,2]=4 3199 B16R0.70 C=CCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100009814027 [0,1,0,0,0,0|1,0,2]=4 3200 B16R0.70 C=CCCCCCCCOCC(=O)N(C)CC 34a_100000730831_100000738999 [0,1,0,0,0,0|1,0,2]=4 3201 B16R0.70 C=CCCCCCCCOCC(=O)N(C)CC 7a_100000730831_100000738999 [0,1,0,0,0,0|1,0,2]=4 3202 B16R0.70 C=CCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100012355270 [0,1,0,0,0,0|1,0,2]=4 3203 B16R0.70 C=CCCCCCCCSCC(=O)N(C)CC 62a_100012355270_100000738999 [0,1,0,0,0,0|1,0,2]=4 3204 B16R0.70 CC/C=C\CCCCCOCC(=O)N(C)CC 34a_100016268722_100000738999 [0,1,0,0,0,0|1,0,2]=4 3205 B16R0.70 CC/C=C\CCCCCOCC(=O)N(C)CC 7a_100016268722_100000738999 [0,1,0,0,0,0|1,0,2]=4 3206 B16R0.70 CCC(C)C(=O)CCCCCCCCCCO 1458a_100011192722_100009813290 [0,1,0,0,0,0|2,0,0]=3 3207 B16R0.70 CCC(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100011192722 [0,1,0,0,0,0|3,0,0]=4 3208 B16R0.70 CCC(O)C(=O)CCCCCCCCCCO 1458a_100011196387_100009813290 [0,1,0,0,0,0|2,0,0]=3 3209 B16R0.70 CCC(O)C(=O)NCCCCCCCCCO 240690a_100000078944_100011196387 [0,1,0,0,0,0|3,0,0]=4 3210 B16R0.70 CCCCC#CCCCSCC(=O)N(C)CC 62a_100000738999_200000047210 [0,1,0,0,0,0|1,0,2]=4 3211 B16R0.70 CCCCC#CCCCSCC(=O)N(C)CC 62a_200000047210_100000738999 [0,1,0,0,0,0|1,0,2]=4 3212 B16R0.70 CCCCC/C=C\CCOCC(=O)N(C)CC 34a_100016277358_100000738999 [0,1,0,0,0,0|1,0,2]=4 3213 B16R0.70 CCCCC/C=C\CCOCC(=O)N(C)CC 7a_100016277358_100000738999 [0,1,0,0,0,0|1,0,2]=4 3214 B16R0.70 CCCCCC#CCCOCC(=O)N(C)CC 34a_200000042877_100000738999 [0,1,0,0,0,0|1,0,2]=4 3215 B16R0.70 CCCCCC#CCCOCC(=O)N(C)CC 7a_200000042877_100000738999 [0,1,0,0,0,0|1,0,2]=4 3216 B16R0.70 CCCCCC/C=C/COCC(=O)N(C)CC 34a_200016276170_100000738999 [0,1,0,0,0,0|1,0,2]=4 3217 B16R0.70 CCCCCC/C=C/COCC(=O)N(C)CC 7a_200016276170_100000738999 [0,1,0,0,0,0|1,0,2]=4 3218 B16R0.70 CCCCCCC#CCOCC(=O)N(C)CC 34a_200000037284_100000738999 [0,1,0,0,0,0|1,0,2]=4 3219 B16R0.70 CCCCCCC#CCOCC(=O)N(C)CC 7a_200000037284_100000738999 [0,1,0,0,0,0|1,0,2]=4 3220 B16R0.70 CCCCCCCCCC=CC(=O)C(C)CC 1458a_200015352897_100000758301 [0,1,0,0,0,0|1,0,2]=4 3221 B16R0.70 CCCCCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015352897 [0,1,0,0,0,0|0,0,2]=3 3222 B16R0.70 CCCCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015352897 [0,1,0,0,0,0|0,0,2]=3 3223 B16R0.70 CCCCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015352897 [0,1,0,0,0,0|0,0,2]=3 3224 B16R0.70 CCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100011215454 [0,1,0,0,0,0|2,0,0]=3 3225 B16R0.70 CCCCCCCCCCCC(=O)C(C)C#N 1458a_100000210736_100000703298 [0,1,0,0,0,0|2,0,1]=4 3226 B16R0.70 CCCCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100011215454 [0,1,0,0,0,0|2,0,1]=4 3227 B16R0.70 CCCCCCCCCCCC(=O)C(C)CC 1458a_100000210736_100000758301 [0,1,0,0,0,0|1,0,0]=2 3228 B16R0.70 CCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215454 [0,1,0,0,0,0|1,0,0]=2 3229 B16R0.70 CCCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100011215454 [0,1,0,0,0,0|2,0,0]=3 3230 B16R0.70 CCCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100011215454 [0,1,0,0,0,0|2,0,0]=3 3231 B16R0.70 CCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215454 [0,1,0,0,0,0|1,0,0]=2 3232 B16R0.70 CCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100011215454 [0,1,0,0,0,0|2,0,0]=3 3233 B16R0.70 CCCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210736 [0,1,0,0,0,0|0,0,0]=1 3234 B16R0.70 CCCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210736 [0,1,0,0,0,0|0,0,0]=1 3235 B16R0.70 CCCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210736 [0,1,0,0,0,0|0,0,0]=1 3236 B16R0.70 CCCCCCCCCCCN(C)C(C)CC 2230a_100000741768_100011215454 [0,1,0,0,0,0|3,0,0]=4 3237 B16R0.70 CCCCCCCCCCCN(C)C(C)CC 269982a_100000741768_100011215454 [0,1,0,0,0,0|3,0,0]=4 3238 B16R0.70 CCCCCCCCCCNC(=O)C(=O)NC 1626a_100000684558_100011218921 [0,1,0,0,0,0|3,0,0]=4 3239 B16R0.70 CCCCCCCCCCNC(=O)C(=O)NC 240690a_100000684558_100011218921 [0,1,0,0,0,0|3,0,0]=4 3240 B16R0.70 CCCCCCCCCCNC(=O)C(=O)NC 527a_100000684558_100011218921 [0,1,0,0,0,0|3,0,0]=4 3241 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 11a_100000684558_100000024059 [0,1,0,0,0,0|3,0,0]=4 3242 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 1626a_100000684558_100000024059 [0,1,0,0,0,0|3,0,0]=4 3243 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 240690a_100000684558_100000024059 [0,1,0,0,0,0|3,0,0]=4 3244 B16R0.70 CCCCCCCCCCNC(=O)C(=O)OC 527a_100000684558_100000024059 [0,1,0,0,0,0|3,0,0]=4 3245 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC 11a_100000684558_100011192722 [0,1,0,0,0,0|2,0,0]=3 3246 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC 1626a_100000684558_100011192722 [0,1,0,0,0,0|2,0,0]=3 3247 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC 240690a_100000684558_100011192722 [0,1,0,0,0,0|2,0,0]=3 3248 B16R0.70 CCCCCCCCCCNC(=O)C(C)CC 527a_100000684558_100011192722 [0,1,0,0,0,0|2,0,0]=3 3249 B16R0.70 CCCCCCCCCCNC(=O)C(C)OC 11a_100000684558_100000743197 [0,1,0,0,0,0|3,0,0]=4 3250 B16R0.70 CCCCCCCCCCNC(=O)C(C)OC 1626a_100000684558_100000743197 [0,1,0,0,0,0|3,0,0]=4 3251 B16R0.70 CCCCCCCCCCNC(=O)C(C)OC 240690a_100000684558_100000743197 [0,1,0,0,0,0|3,0,0]=4 3252 B16R0.70 CCCCCCCCCCNC(=O)C(C)OC 527a_100000684558_100000743197 [0,1,0,0,0,0|3,0,0]=4 3253 B16R0.70 CCCCCCCCCCNC(=O)C(C)SC 11a_100000684558_100000149566 [0,1,0,0,0,0|3,0,0]=4 3254 B16R0.70 CCCCCCCCCCNC(=O)C(C)SC 1626a_100000684558_100000149566 [0,1,0,0,0,0|3,0,0]=4 3255 B16R0.70 CCCCCCCCCCNC(=O)C(C)SC 240690a_100000684558_100000149566 [0,1,0,0,0,0|3,0,0]=4 3256 B16R0.70 CCCCCCCCCCNC(=O)C(C)SC 527a_100000684558_100000149566 [0,1,0,0,0,0|3,0,0]=4 3257 B16R0.70 CCCCCCCCCCNC(=O)C(O)CC 240690a_100000684558_100011196387 [0,1,0,0,0,0|2,0,0]=3 3258 B16R0.70 CCCCCCCCCCNC(=O)C(O)CO 240690a_100000684558_100011215603 [0,1,0,0,0,0|3,0,0]=4 3259 B16R0.70 CCCCCCCCCCNC(=O)N(C)CC 2708a_100000684558_100000225621 [0,1,0,0,0,0|1,0,0]=2 3260 B16R0.70 CCCCCCCCCCNC(=O)N(C)CC 273464a_100000684558_100000225621 [0,1,0,0,0,0|1,0,0]=2 3261 B16R0.70 CCCCCCCCCNCC(=O)C(=O)OC 34a_100000212291_100011610305 [0,1,0,0,0,0|3,0,0]=4 3262 B16R0.70 CCCCCCCCCNCC(=O)N(C)CC 2230a_100000212291_100000738999 [0,1,0,0,0,0|1,0,0]=2 3263 B16R0.70 CCCCCCCCCNCC(=O)N(C)CC 34a_100000212291_100000738999 [0,1,0,0,0,0|1,0,0]=2 3264 B16R0.70 CCCCCCCCCNCC(=O)N(C)OC 2230a_100000212291_100000764215 [0,1,0,0,0,0|2,0,0]=3 3265 B16R0.70 CCCCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100011214924 [0,1,0,0,0,0|2,0,0]=3 3266 B16R0.70 CCCCCCCCCOCC(=O)C(=O)OC 34a_100000210712_100011610305 [0,1,0,0,0,0|3,0,0]=4 3267 B16R0.70 CCCCCCCCCOCC(=O)N(C)CC 34a_100000210712_100000738999 [0,1,0,0,0,0|1,0,0]=2 3268 B16R0.70 CCCCCCCCCOCC(=O)N(C)CC 7a_100000210712_100000738999 [0,1,0,0,0,0|1,0,0]=2 3269 B16R0.70 CCCCCCCCCOCC(=O)N(C)OC 7a_100000210712_100000764215 [0,1,0,0,0,0|2,0,0]=3 3270 B16R0.70 CCCCCCCCCOCC(C)N(C)CC 7a_100000732741_100000210328 [0,1,0,0,0,0|2,0,1]=4 3271 B16R0.70 CCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210670 [0,1,0,0,0,0|3,0,0]=4 3272 B16R0.70 CCCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210670 [0,1,0,0,0,0|1,0,0]=2 3273 B16R0.70 CCCCCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210670 [0,1,0,0,0,0|2,0,0]=3 3274 B16R0.70 CCCCCCCOCCCC(=O)N(C)OC 7a_100000210272_100011842776 [0,1,0,0,0,0|2,0,0]=3 3275 B16R0.70 CCCCCCCSCCCC(=O)N(C)OC 62a_100000210614_100011842776 [0,1,0,0,0,0|2,0,0]=3 3276 B16R0.70 CCCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210316 [0,1,0,0,0,0|2,0,0]=3 3277 B16R0.70 CCCCCCOCCOCC(=O)N(C)CC 34a_100000691444_100000738999 [0,1,0,0,0,0|2,0,0]=3 3278 B16R0.70 CCCCCCOCCOCC(=O)N(C)CC 7a_100000691444_100000738999 [0,1,0,0,0,0|2,0,0]=3 3279 B16R0.70 CCCCCCOCCOCC(=O)N(C)OC 7a_100000691444_100000764215 [0,1,0,0,0,0|3,0,0]=4 3280 B16R0.70 CCCCNCCCCOCC(=O)N(C)CC 34a_200011216965_100000738999 [0,1,0,0,0,0|2,0,0]=3 3281 B16R0.70 CCCCOCCCCOCC(=O)N(C)CC 34a_200000760531_100000738999 [0,1,0,0,0,0|2,0,0]=3 3282 B16R0.70 CCCCOCCCCOCC(=O)N(C)CC 7a_200000760531_100000738999 [0,1,0,0,0,0|2,0,0]=3 3283 B16R0.70 CCCCOCCCCOCC(=O)N(C)OC 7a_200000760531_100000764215 [0,1,0,0,0,0|3,0,0]=4 3284 B16R0.70 CCCCOCCOCCCC(=O)N(C)OC 7a_100000210238_100011842776 [0,1,0,0,0,0|3,0,0]=4 3285 B16R0.70 CCCCOCCSCCCC(=O)N(C)OC 62a_100000743108_100011842776 [0,1,0,0,0,0|3,0,0]=4 3286 B16R0.70 CCCCOCCSCCCC(=O)N(C)OC 62a_100011842776_100000743108 [0,1,0,0,0,0|3,0,0]=4 3287 B16R0.70 CCCCSCCOCCCC(=O)N(C)OC 7a_200000230436_100011842776 [0,1,0,0,0,0|3,0,0]=4 3288 B16R0.70 CCCOCCOCCNCC(=O)N(C)CC 2230a_200011904461_100000738999 [0,1,0,0,0,0|3,0,0]=4 3289 B16R0.70 CCCOCCOCCNCC(=O)N(C)CC 34a_200011904461_100000738999 [0,1,0,0,0,0|3,0,0]=4 3290 B16R0.70 CCN(C)C(=O)CCCCCCCCCCO 240690a_100000225621_200000016029 [0,1,0,0,0,0|1,0,0]=2 3291 B16R0.70 CCN(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000738999 [0,1,0,0,0,0|2,0,0]=3 3292 B16R0.70 CCN(C)C(=O)CNCCCCCCCCO 34a_102515433106_100000738999 [0,1,0,0,0,0|2,0,0]=3 3293 B16R0.70 CCN(C)C(=O)COCCCCCCCCBr 34a_100009813846_100000738999 [0,1,0,0,0,0|2,0,0]=3 3294 B16R0.70 CCN(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000738999 [0,1,0,0,0,0|2,0,0]=3 3295 B16R0.70 CCN(C)C(=O)COCCCCCCCCCl 34a_100000033203_100000738999 [0,1,0,0,0,0|2,0,0]=3 3296 B16R0.70 CCN(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000738999 [0,1,0,0,0,0|2,0,0]=3 3297 B16R0.70 CCN(C)C(=O)COCCCCCCCCN 34a_102515433106_100000738999 [0,1,0,0,0,0|2,0,0]=3 3298 B16R0.70 CCN(C)C(=O)COCCCCCNCCN 34a_103619048469_100000738999 [0,1,0,0,0,0|3,0,0]=4 3299 B16R0.70 CCN(C)C(=O)COCCCOCCCOC 34a_200011215475_100000738999 [0,1,0,0,0,0|3,0,0]=4 3300 B16R0.70 CCN(C)C(=O)COCCCOCCCOC 7a_200011215475_100000738999 [0,1,0,0,0,0|3,0,0]=4 3301 B16R0.70 CCN(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000738999 [0,1,0,0,0,0|2,0,0]=3 3302 B16R0.70 CCN(C)C(=O)CSCCCCCCCCO 62a_100000738999_100000033203 [0,1,0,0,0,0|2,0,0]=3 3303 B16R0.70 CCN(C)C(=O)NCCCCCCCCCO 2708a_100000078944_100000225621 [0,1,0,0,0,0|2,0,0]=3 3304 B16R0.70 CCN(C)C(=O)NCCCCCCCCCO 273464a_100000078944_100000225621 [0,1,0,0,0,0|2,0,0]=3 3305 B16R0.70 CNC(=O)C(=O)CCCCCCCCCCO 1458a_100011218921_100009813290 [0,1,0,0,0,0|3,0,0]=4 3306 B16R0.70 COC(C)C(=O)CCCCCCCCCCO 1458a_100000743197_100009813290 [0,1,0,0,0,0|3,0,0]=4 3307 B16R0.70 CON(C)C(=O)CCCOCCCCCCBr 7a_100011215345_100011842776 [0,1,0,0,0,0|3,0,0]=4 3308 B16R0.70 CON(C)C(=O)CCCOCCCCCCCl 7a_100000766143_100011842776 [0,1,0,0,0,0|3,0,0]=4 3309 B16R0.70 CON(C)C(=O)CCCOCCCCCCF 7a_100000732779_100011842776 [0,1,0,0,0,0|3,0,0]=4 3310 B16R0.70 CON(C)C(=O)CCCSCCCCCCF 62a_100011842776_100015922095 [0,1,0,0,0,0|3,0,0]=4 3311 B16R0.70 CON(C)C(=O)CCCSCCCCCCF 62a_100015922095_100011842776 [0,1,0,0,0,0|3,0,0]=4 3312 B16R0.70 CON(C)C(=O)CCCSCCCCCCO 62a_100000766143_100011842776 [0,1,0,0,0,0|3,0,0]=4 3313 B16R0.70 CON(C)C(=O)CCCSCCCCCCO 62a_100011842776_100000766143 [0,1,0,0,0,0|3,0,0]=4 3314 B16R0.70 CON(C)C(=O)CNCCCCCCCCO 2230a_100015207273_100000033203 [0,1,0,0,0,0|3,0,0]=4 3315 B16R0.70 CON(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000764215 [0,1,0,0,0,0|3,0,0]=4 3316 B16R0.70 CON(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000764215 [0,1,0,0,0,0|3,0,0]=4 3317 B16R0.70 CON(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000764215 [0,1,0,0,0,0|3,0,0]=4 3318 B16R0.70 CON(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000764215 [0,1,0,0,0,0|3,0,0]=4 3319 B16R0.70 CON(C)C(=O)CSCCCCCCCCO 62a_100000764215_100000033203 [0,1,0,0,0,0|3,0,0]=4 3320 B16R0.70 CSC(C)C(=O)CCCCCCCCCCO 1458a_100000149566_100009813290 [0,1,0,0,0,0|3,0,0]=4 3321 B16R0.70 O=C(CCCCCCCCCCO)C(O)CO 1458a_100011215603_100009813290 [0,1,0,0,0,0|3,0,0]=4 3322 B16R0.97 CCCC(=O)CCCCCCCC(=O)OCC 1458a_100000211992_100009991516 [0,1,0,0,0,0|1,0,1]=3 3323 B16R0.97 CCCC(=O)COCCCCCC(=O)OCC 7a_100011214988_100000747444 [0,1,0,0,0,0|2,0,1]=4 3324 B16R0.97 CCCC(=O)CSCCCCCC(=O)OCC 62a_100000747444_100000755133 [0,1,0,0,0,0|2,0,1]=4 3325 B16R0.97 CCCC(=O)CSCCCCCC(=O)OCC 62a_100000755133_100000747444 [0,1,0,0,0,0|2,0,1]=4 3326 B16R0.97 CCCC(=O)NCCCCCCC(=O)OCC 188690a_100000741137_100000211992 [0,1,0,0,0,0|2,0,1]=4 3327 B16R0.97 CCCC(C)CCCOCCCC(=O)OCC 34a_100011713154_100009991533 [0,1,0,0,0,0|2,0,0]=3 3328 B16R0.97 CCCC(C)CCCOCCCC(=O)OCC 7a_100011713154_100011215271 [0,1,0,0,0,0|2,0,0]=3 3329 B16R0.97 CCCC(C)CCCOCCNC(=O)OCC 7a_100011713154_200011445536 [0,1,0,0,0,0|3,0,0]=4 3330 B16R0.97 CCCC(C)CCOCCCCC(=O)OCC 34a_100011217855_100000750268 [0,1,0,0,0,0|2,0,0]=3 3331 B16R0.97 CCCC(C)CCOCCCCC(=O)OCC 7a_100011217855_100000750268 [0,1,0,0,0,0|2,0,0]=3 3332 B16R0.97 CCCC(C)CCOCCOCC(=O)OCC 34a_100011217855_100000088970 [0,1,0,0,0,0|3,0,0]=4 3333 B16R0.97 CCCC(C)CCOCCOCC(=O)OCC 7a_100011217855_100000088970 [0,1,0,0,0,0|3,0,0]=4 3334 B16R0.97 CCCC(C)COCCCCCC(=O)OCC 34a_100000688023_100000755133 [0,1,0,0,0,0|2,0,0]=3 3335 B16R0.97 CCCC(C)COCCCCCC(=O)OCC 7a_100000688023_100000755133 [0,1,0,0,0,0|2,0,0]=3 3336 B16R0.97 CCCC(C)COCCCCCC(=O)OCC 7a_100011214988_100011216630 [0,1,0,0,0,0|2,0,0]=3 3337 B16R0.97 CCCC(C)COCCCOCC(=O)OCC 34a_100000688023_100009893628 [0,1,0,0,0,0|3,0,0]=4 3338 B16R0.97 CCCC(C)COCCCOCC(=O)OCC 7a_100000688023_100009893628 [0,1,0,0,0,0|3,0,0]=4 3339 B16R0.97 CCCC(C)CSCCCCCC(=O)OCC 62a_100000755133_100011216630 [0,1,0,0,0,0|2,0,0]=3 3340 B16R0.97 CCCC(C)CSCCCCCC(=O)OCC 62a_100011216630_100000755133 [0,1,0,0,0,0|2,0,0]=3 3341 B16R0.97 CCCC(C)CSCCCOCC(=O)OCC 62a_100009893628_100011216630 [0,1,0,0,0,0|3,0,0]=4 3342 B16R0.97 CCCC(C)CSCCCOCC(=O)OCC 62a_100011216630_100009893628 [0,1,0,0,0,0|3,0,0]=4 3343 B16R0.97 CCCC(C)NCCCCCCC(=O)OCC 2230a_100000741246_100009814379 [0,1,0,0,0,0|2,0,0]=3 3344 B16R0.97 CCCC(C)OCCCCCCC(=O)OCC 34a_100000764384_100009814379 [0,1,0,0,0,0|2,0,0]=3 3345 B16R0.97 CCCC(C)OCCCCCCC(=O)OCC 7a_100000764384_100009814379 [0,1,0,0,0,0|2,0,0]=3 3346 B16R0.97 CCCC(C)SCCCCCCC(=O)OCC 62a_100000766640_100009814379 [0,1,0,0,0,0|2,0,0]=3 3347 B16R0.97 CCCN(C)CCCCCCCC(=O)OCC 2230a_100000747261_100009991516 [0,1,0,0,0,0|2,0,0]=3 3348 B16R0.97 CCCN(C)CCCCCCCC(=O)OCC 269982a_100000747261_100009991516 [0,1,0,0,0,0|2,0,0]=3 3349 B16R0.97 CCC[C@H](N)CCOCCCCC(=O)OCC 34a_100015193777_100000750268 [0,1,0,0,0,0|2,0,0]=3 3350 B16R0.97 CCC[C@H](N)CCOCCOCC(=O)OCC 34a_100015193777_100000088970 [0,1,0,0,0,0|3,0,0]=4 3351 B16R0.97 CCC[C@H](N)COCCCCCC(=O)OCC 34a_100000732646_100000755133 [0,1,0,0,0,0|2,0,0]=3 3352 B16R0.97 CCC[C@H](N)COCCCOCC(=O)OCC 34a_100000732646_100009893628 [0,1,0,0,0,0|3,0,0]=4 3353 B16R0.97 CCNC(=O)CCNCCCCC(=O)OCC 34a_100025743525_100000750268 [0,1,0,0,0,0|2,0,1]=4 3354 B16R0.97 CCNC(=O)CCSCCCCC(=O)OCC 62a_100000737597_100000750268 [0,1,0,0,0,0|2,0,1]=4 3355 B16R0.97 CCNC(=O)CCSCCCCC(=O)OCC 62a_100000750268_100000737597 [0,1,0,0,0,0|2,0,1]=4 3356 B16R0.97 CCNC(=O)CNCCCCCC(=O)OCC 2230a_100016988866_100000755133 [0,1,0,0,0,0|2,0,1]=4 3357 B16R0.97 CCNC(=O)COCCCCCC(=O)OCC 7a_100011214988_100000183381 [0,1,0,0,0,0|2,0,1]=4 3358 B16R0.97 CCNC(=O)CSCCCCCC(=O)OCC 62a_100000183381_100000755133 [0,1,0,0,0,0|2,0,1]=4 3359 B16R0.97 CCNC(=O)CSCCCCCC(=O)OCC 62a_100000755133_100000183381 [0,1,0,0,0,0|2,0,1]=4 3360 B16R0.97 CCOC(=O)CCCCCCCC(=O)CCO 1458a_100011216618_100009991516 [0,1,0,0,0,0|2,0,1]=4 3361 B16R0.97 CCOC(=O)CCCCCCCC(=O)COC 1458a_100000210968_100009991516 [0,1,0,0,0,0|2,0,1]=4 3362 B16R0.97 CCOC(=O)CCCCCCCC(=O)CSC 1458a_100000184570_100009991516 [0,1,0,0,0,0|2,0,1]=4 3363 B16R0.97 CCOC(=O)CCCCCCCN(C)CCO 2230a_100000210263_100009991516 [0,1,0,0,0,0|3,0,0]=4 3364 B16R0.97 CCOC(=O)CCCCCCCN(C)CCO 269982a_100000210263_100009991516 [0,1,0,0,0,0|3,0,0]=4 3365 B16R0.97 CCOC(=O)CCCCCCN[C@H](C)CCO 2230a_100000706166_100009814379 [0,1,0,0,0,0|3,0,0]=4 3366 B16R0.97 CCOC(=O)CCCCCCN[C@H](C)CCO 34a_100000706166_100009814379 [0,1,0,0,0,0|3,0,0]=4 3367 B16R0.97 CCOC(=O)CCCCCCN[C@H](C)COC 2230a_100000764878_100009814379 [0,1,0,0,0,0|3,0,0]=4 3368 B16R0.97 CCOC(=O)CCCCCCOC(C)CCBr 34a_100012276601_100009814379 [0,1,0,0,0,0|3,0,0]=4 3369 B16R0.97 CCOC(=O)CCCCCCO[C@H](C)COC 34a_100011934205_100009814379 [0,1,0,0,0,0|3,0,0]=4 3370 B16R0.97 CCOC(=O)CCCCCCSC(C)CCO 62a_100009893172_100009814379 [0,1,0,0,0,0|3,0,0]=4 3371 B16R0.97 CCOC(=O)CCCCCCSC(C)COC 62a_100000765312_100009814379 [0,1,0,0,0,0|3,0,0]=4 3372 B16R0.97 CCOC(=O)CCCCCNCC(O)COC 2230a_100000756049_100000755133 [0,1,0,0,0,0|3,0,0]=4 3373 B16R0.97 CCOC(=O)CCCCCNCC(O)COC 34a_100000756049_100000755133 [0,1,0,0,0,0|3,0,0]=4 3374 B16R0.97 CCOC(=O)CCCCCOCC(C)CCN 34a_106354213184_100000755133 [0,1,0,0,0,0|3,0,0]=4 3375 B16R0.97 CCOC(=O)CCCCCOCC(N)COC 34a_100000724102_100000755133 [0,1,0,0,0,0|3,0,0]=4 3376 B16R0.97 CCOC(=O)CCCCCOCC(O)COC 7a_100011214988_100011215053 [0,1,0,0,0,0|3,0,0]=4 3377 B16R0.97 CCOC(=O)CCCCCSCC(O)COC 62a_100000755133_100011215053 [0,1,0,0,0,0|3,0,0]=4 3378 B16R0.97 CCOC(=O)CCCCCSCC(O)COC 62a_100011215053_100000755133 [0,1,0,0,0,0|3,0,0]=4 3379 B16R0.137 C#CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100012276617 [0,1,0,0,0,0|0,0,3]=4 3380 B16R0.137 C=CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100011215473 [0,1,0,0,0,0|0,0,3]=4 3381 B16R0.137 CCCCCC#CCC(=O)CCC(=O)NCC 1458a_100000199579_100009816472 [0,1,0,0,0,0|0,0,3]=4 3382 B16R0.137 CCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210759 [0,1,0,0,0,0|0,0,1]=2 3383 B16R0.137 CCCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210759 [0,1,0,0,0,0|1,0,1]=3 3384 B16R0.137 CCCCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210759 [0,1,0,0,0,0|2,0,1]=4 3385 B16R0.137 CCCCCCCCC(=O)COC(=O)CCC 1458a_100000210188_100000034017 [0,1,0,0,0,0|2,0,1]=4 3386 B16R0.137 CCCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210188 [0,1,0,0,0,0|1,0,1]=3 3387 B16R0.137 CCCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210188 [0,1,0,0,0,0|1,0,1]=3 3388 B16R0.137 CCCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210188 [0,1,0,0,0,0|1,0,1]=3 3389 B16R0.137 CCCCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210188 [0,1,0,0,0,0|1,0,1]=3 3390 B16R0.137 CCCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210188 [0,1,0,0,0,0|2,0,1]=4 3391 B16R0.137 CCCCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100011216694 [0,1,0,0,0,0|1,0,0]=2 3392 B16R0.137 CCCCCCCCC(C)OCC(=O)CCC 7a_100000210740_100000747444 [0,1,0,0,0,0|2,0,0]=3 3393 B16R0.137 CCCCCCCCC(C)OCC(=O)NCC 34a_100000210740_100000183381 [0,1,0,0,0,0|1,0,0]=2 3394 B16R0.137 CCCCCCCCC(C)OCC(=O)NCC 7a_100000210740_100000183381 [0,1,0,0,0,0|1,0,0]=2 3395 B16R0.137 CCCCCCCCC(C)OCC(=O)NCO 34a_100000210740_100000185155 [0,1,0,0,0,0|2,0,0]=3 3396 B16R0.137 CCCCCCCCC(C)OCC(=O)NCO 7a_100000210740_100000185155 [0,1,0,0,0,0|2,0,0]=3 3397 B16R0.137 CCCCCCCCC(C)OCC(=O)OCC 34a_100000210740_100000188475 [0,1,0,0,0,0|2,0,0]=3 3398 B16R0.137 CCCCCCCCC(C)OCC(=O)OCC 7a_100000210740_100000188475 [0,1,0,0,0,0|2,0,0]=3 3399 B16R0.137 CCCCCCCCN(C)CCC(=O)NCC 2230a_100000207567_100000737597 [0,1,0,0,0,0|1,0,0]=2 3400 B16R0.137 CCCCCCCCN(C)CCC(=O)NCC 269982a_100000207567_100000737597 [0,1,0,0,0,0|1,0,0]=2 3401 B16R0.137 CCCCCCCCN(C)CCC(=O)OCC 2230a_100000207567_100011206558 [0,1,0,0,0,0|2,0,0]=3 3402 B16R0.137 CCCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210759 [0,1,0,0,0,0|2,0,0]=3 3403 B16R0.137 CCCCCCCCN(C)CCC(=O)OCC 269982a_100000207567_100011206558 [0,1,0,0,0,0|2,0,0]=3 3404 B16R0.137 CCCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210759 [0,1,0,0,0,0|2,0,0]=3 3405 B16R0.137 CCCCCCCCN(C)COC(=O)CCC 2230a_100000207567_100000034017 [0,1,0,0,0,0|3,0,0]=4 3406 B16R0.137 CCCCCCCCN(C)COC(=O)CCC 269982a_100000207567_100000034017 [0,1,0,0,0,0|3,0,0]=4 3407 B16R0.137 CCCCCCCNC(=O)CCC(=O)NCC 11a_100000229938_100000199579 [0,1,0,0,0,0|1,0,1]=3 3408 B16R0.137 CCCCCCCNC(=O)CCC(=O)NCC 1626a_100000229938_100000199579 [0,1,0,0,0,0|1,0,1]=3 3409 B16R0.137 CCCCCCCNC(=O)CCC(=O)NCC 240690a_100000229938_100000199579 [0,1,0,0,0,0|1,0,1]=3 3410 B16R0.137 CCCCCCCNC(=O)CCC(=O)OCC 11a_100000229938_100000183558 [0,1,0,0,0,0|2,0,1]=4 3411 B16R0.137 CCCCCCCNC(=O)CCC(=O)OCC 1626a_100000229938_100000183558 [0,1,0,0,0,0|2,0,1]=4 3412 B16R0.137 CCCCCCCNC(=O)CCC(=O)OCC 240690a_100000229938_100000183558 [0,1,0,0,0,0|2,0,1]=4 3413 B16R0.137 CCCCCCCNC(=O)NCC(=O)NCC 2708a_100000229938_100016988866 [0,1,0,0,0,0|2,0,1]=4 3414 B16R0.137 CCCCCCCNC(=O)NCC(=O)NCC 2708a_100016988866_100000229938 [0,1,0,0,0,0|2,0,1]=4 3415 B16R0.137 CCCCCCCNC(=O)NCC(=O)NCC 273464a_100000229938_100016988866 [0,1,0,0,0,0|2,0,1]=4 3416 B16R0.137 CCCCCCCNC(=O)NCC(=O)NCC 273464a_100016988866_100000229938 [0,1,0,0,0,0|2,0,1]=4 3417 B16R0.137 CCCCCCCNC(=O)NCC(=O)NCC 512a_100000229938_100016988866 [0,1,0,0,0,0|2,0,1]=4 3418 B16R0.137 CCCCCCCNC(=O)NCC(=O)NCC 512a_100016988866_100000229938 [0,1,0,0,0,0|2,0,1]=4 3419 B16R0.137 CCCCCCCNC(C)CCC(=O)OCC 2230a_100000229938_100000748298 [0,1,0,0,0,0|2,0,0]=3 3420 B16R0.137 CCCCCCCOC(C)CCC(=O)OCC 34a_100000210272_100000748298 [0,1,0,0,0,0|2,0,0]=3 3421 B16R0.137 CCCCCCCOC(C)CCC(=O)OCC 7a_100000210272_100000748298 [0,1,0,0,0,0|2,0,0]=3 3422 B16R0.137 CCCCCCCSC(C)CCC(=O)OCC 62a_100000210614_100000748298 [0,1,0,0,0,0|2,0,0]=3 3423 B16R0.137 CCCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210316 [0,1,0,0,0,0|2,0,0]=3 3424 B16R0.137 CCCCOCCOC(C)CCC(=O)OCC 34a_100000210238_100000748298 [0,1,0,0,0,0|3,0,0]=4 3425 B16R0.137 CCCCOCCOC(C)CCC(=O)OCC 7a_100000210238_100000748298 [0,1,0,0,0,0|3,0,0]=4 3426 B16R0.137 CCCCOCCSC(C)CCC(=O)OCC 62a_100000743108_100000748298 [0,1,0,0,0,0|3,0,0]=4 3427 B16R0.137 CCCCOCCSC(C)CCC(=O)OCC 62a_100000748298_100000743108 [0,1,0,0,0,0|3,0,0]=4 3428 B16R0.137 CCCCSCCNC(=O)CCC(=O)NCC 11a_100025743550_100000199579 [0,1,0,0,0,0|2,0,1]=4 3429 B16R0.137 CCCCSCCNC(=O)CCC(=O)NCC 1626a_100025743550_100000199579 [0,1,0,0,0,0|2,0,1]=4 3430 B16R0.137 CCCCSCCNC(=O)CCC(=O)NCC 240690a_100025743550_100000199579 [0,1,0,0,0,0|2,0,1]=4 3431 B16R0.137 CCCCSCCNC(C)CCC(=O)OCC 2230a_100025743550_100000748298 [0,1,0,0,0,0|3,0,0]=4 3432 B16R0.137 CCCCSCCOC(C)CCC(=O)OCC 34a_200000230436_100000748298 [0,1,0,0,0,0|3,0,0]=4 3433 B16R0.137 CCCCSCCOC(C)CCC(=O)OCC 7a_200000230436_100000748298 [0,1,0,0,0,0|3,0,0]=4 3434 B16R0.137 CCCOCCCNC(=O)CCC(=O)NCC 1626a_100011217757_100000199579 [0,1,0,0,0,0|2,0,1]=4 3435 B16R0.137 CCCOCCCNC(=O)CCC(=O)NCC 240690a_100011217757_100000199579 [0,1,0,0,0,0|2,0,1]=4 3436 B16R0.137 CCCOCCCNC(C)CCC(=O)OCC 2230a_100011217757_100000748298 [0,1,0,0,0,0|3,0,0]=4 3437 B16R0.137 CCCOCCCNC(C)CCC(=O)OCC 34a_100011217757_100000748298 [0,1,0,0,0,0|3,0,0]=4 3438 B16R0.137 CCNC(=O)CCC(=O)CCCCCCC#N 1458a_100000199579_100009813337 [0,1,0,0,0,0|1,0,2]=4 3439 B16R0.137 CCNC(=O)CCC(=O)CCCCCCCO 1458a_100000199579_100000760002 [0,1,0,0,0,0|1,0,1]=3 3440 B16R0.137 CCNC(=O)CCC(=O)CCCCCCOC 1458a_100000199579_100011998445 [0,1,0,0,0,0|1,0,1]=3 3441 B16R0.137 CCNC(=O)CCC(=O)CCCOCCOC 1458a_100000199579_100011216529 [0,1,0,0,0,0|2,0,1]=4 3442 B16R0.137 CCNC(=O)CCC(=O)CCOCCOCC 1458a_100000199579_100011211534 [0,1,0,0,0,0|2,0,1]=4 3443 B16R0.137 CCNC(=O)CCC(=O)NCCCCCCO 240690a_100000686447_100000199579 [0,1,0,0,0,0|2,0,1]=4 3444 B16R0.137 CCNC(=O)CCC(=O)NCCCCCOC 11a_100000747528_100000199579 [0,1,0,0,0,0|2,0,1]=4 3445 B16R0.137 CCNC(=O)CCC(=O)NCCCCCOC 1626a_100000747528_100000199579 [0,1,0,0,0,0|2,0,1]=4 3446 B16R0.137 CCNC(=O)CCC(=O)NCCCCCOC 240690a_100000747528_100000199579 [0,1,0,0,0,0|2,0,1]=4 3447 B16R0.137 CCNC(=O)CNC(=O)CCCCCCCO 240690a_100016988866_100011219782 [0,1,0,0,0,0|2,0,1]=4 3448 B16R0.137 CCOC(=O)CCC(=O)CCCCCCCO 1458a_100000183558_100000760002 [0,1,0,0,0,0|2,0,1]=4 3449 B16R0.137 CCOC(=O)CCC(=O)CCCCCCOC 1458a_100000183558_100011998445 [0,1,0,0,0,0|2,0,1]=4 3450 B16R0.137 CCOC(=O)CCC(C)NCCCCCCO 2230a_100000686447_100000748298 [0,1,0,0,0,0|3,0,0]=4 3451 B16R0.137 CCOC(=O)CCC(C)NCCCCCCO 34a_100000686447_100000748298 [0,1,0,0,0,0|3,0,0]=4 3452 B16R0.137 CCOC(=O)CCC(C)NCCCCCOC 2230a_100000747528_100000748298 [0,1,0,0,0,0|3,0,0]=4 3453 B16R0.137 CCOC(=O)CCC(C)NCCCCCOC 34a_100000747528_100000748298 [0,1,0,0,0,0|3,0,0]=4 3454 B16R0.137 CCOC(=O)CCC(C)OCCCCCCBr 34a_100011215345_100000748298 [0,1,0,0,0,0|3,0,0]=4 3455 B16R0.137 CCOC(=O)CCC(C)OCCCCCCBr 7a_100011215345_100000748298 [0,1,0,0,0,0|3,0,0]=4 3456 B16R0.137 CCOC(=O)CCC(C)OCCCCCCCl 34a_100000766143_100000748298 [0,1,0,0,0,0|3,0,0]=4 3457 B16R0.137 CCOC(=O)CCC(C)OCCCCCCCl 7a_100000766143_100000748298 [0,1,0,0,0,0|3,0,0]=4 3458 B16R0.137 CCOC(=O)CCC(C)OCCCCCCF 34a_100000732779_100000748298 [0,1,0,0,0,0|3,0,0]=4 3459 B16R0.137 CCOC(=O)CCC(C)OCCCCCCF 7a_100000732779_100000748298 [0,1,0,0,0,0|3,0,0]=4 3460 B16R0.137 CCOC(=O)CCC(C)OCCCCCCN 34a_100000686447_100000748298 [0,1,0,0,0,0|3,0,0]=4 3461 B16R0.137 CCOC(=O)CCC(C)OCCCCCNC 34a_100000722520_100000748298 [0,1,0,0,0,0|3,0,0]=4 3462 B16R0.137 CCOC(=O)CCC(C)SCCCCCCF 62a_100000748298_100015922095 [0,1,0,0,0,0|3,0,0]=4 3463 B16R0.137 CCOC(=O)CCC(C)SCCCCCCF 62a_100015922095_100000748298 [0,1,0,0,0,0|3,0,0]=4 3464 B16R0.137 CCOC(=O)CCC(C)SCCCCCCO 62a_100000748298_100000766143 [0,1,0,0,0,0|3,0,0]=4 3465 B16R0.137 CCOC(=O)CCC(C)SCCCCCCO 62a_100000766143_100000748298 [0,1,0,0,0,0|3,0,0]=4 3466 B16R0.137 CCOC(=O)CCN(C)CCCCCCCO 2230a_100000745921_100000760002 [0,1,0,0,0,0|3,0,0]=4 3467 B16R0.137 CCOC(=O)CCN(C)CCCCCCCO 269982a_100000745921_100000760002 [0,1,0,0,0,0|3,0,0]=4 3468 B16R0.137 CCOC(=O)CCN(C)CCCCCCOC 2230a_100000745921_100011998445 [0,1,0,0,0,0|3,0,0]=4 3469 B16R0.137 CCOC(=O)CCN(C)CCCCCCOC 269982a_100000745921_100011998445 [0,1,0,0,0,0|3,0,0]=4 3470 B16R0.154 C#CCCCCCCCC(=O)CC(=O)NCC 1458a_100000087357_100000183381 [0,1,0,0,0,0|0,0,3]=4 3471 B16R0.154 C#CCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100153394163 [0,1,0,0,0,0|1,0,2]=4 3472 B16R0.154 C#CCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100153394163 [0,1,0,0,0,0|1,0,2]=4 3473 B16R0.154 C=C(CCC)CC(=O)CCCCCCCCC 1458a_100000138376_100000210670 [0,1,0,0,0,0|2,0,1]=4 3474 B16R0.154 C=CCCCCCCCC(=O)CC(=O)NCC 1458a_100011216160_100000183381 [0,1,0,0,0,0|0,0,3]=4 3475 B16R0.154 C=CCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100012355270 [0,1,0,0,0,0|1,0,2]=4 3476 B16R0.154 C=CCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100012355270 [0,1,0,0,0,0|1,0,2]=4 3477 B16R0.154 CCCCC#CCCCN(C)CC(=O)NCC 2230a_100000741943_200000047210 [0,1,0,0,0,0|1,0,2]=4 3478 B16R0.154 CCCCC#CCCCN(C)CC(=O)NCC 269982a_100000741943_200000047210 [0,1,0,0,0,0|1,0,2]=4 3479 B16R0.154 CCCCC/C=C/CCC(=O)CC(=O)NCC 1458a_200015255902_100000183381 [0,1,0,0,0,0|0,0,3]=4 3480 B16R0.154 CCCCCC/C=C/CC(=O)CC(=O)NCC 1458a_100020681715_100000183381 [0,1,0,0,0,0|0,0,3]=4 3481 B16R0.154 CCCCCCCC=CC(=O)CC(=O)NCC 1458a_200015332781_100000183381 [0,1,0,0,0,0|0,0,3]=4 3482 B16R0.154 CCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210558_100000747444 [0,1,0,0,0,0|1,0,1]=3 3483 B16R0.154 CCCCCCCCCC(=O)CC(=O)NCC 1458a_100000210558_100000183381 [0,1,0,0,0,0|0,0,1]=2 3484 B16R0.154 CCCCCCCCCC(=O)CC(=O)NCO 1458a_100000210558_100000185155 [0,1,0,0,0,0|1,0,1]=3 3485 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210558_100000188475 [0,1,0,0,0,0|1,0,1]=3 3486 B16R0.154 CCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210670 [0,1,0,0,0,0|1,0,1]=3 3487 B16R0.154 CCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210670 [0,1,0,0,0,0|2,0,1]=4 3488 B16R0.154 CCCCCCCCCC(C)CN(C)CCC 270004a_100000747261_200011218516 [0,1,0,0,0,0|3,0,0]=4 3489 B16R0.154 CCCCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200012339438 [0,1,0,0,0,0|0,0,0]=1 3490 B16R0.154 CCCCCCCCCC(O)CC(=O)NNC 22a_100016993582_200012339438 [0,1,0,0,0,0|1,0,0]=2 3491 B16R0.154 CCCCCCCCCN(C)CC(=O)CCC 2230a_100000232482_100000747444 [0,1,0,0,0,0|2,0,0]=3 3492 B16R0.154 CCCCCCCCCN(C)CC(=O)CCC 269982a_100000232482_100000747444 [0,1,0,0,0,0|2,0,0]=3 3493 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 2230a_100000232482_100000183381 [0,1,0,0,0,0|1,0,0]=2 3494 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100011214924 [0,1,0,0,0,0|1,0,0]=2 3495 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 269982a_100000232482_100000183381 [0,1,0,0,0,0|1,0,0]=2 3496 B16R0.154 CCCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210670 [0,1,0,0,0,0|1,0,0]=2 3497 B16R0.154 CCCCCCCCCN(C)CC(=O)NCO 2230a_100000232482_100000185155 [0,1,0,0,0,0|2,0,0]=3 3498 B16R0.154 CCCCCCCCCN(C)CC(=O)NCO 269982a_100000232482_100000185155 [0,1,0,0,0,0|2,0,0]=3 3499 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100011214924 [0,1,0,0,0,0|2,0,0]=3 3500 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 2230a_100000232482_100000188475 [0,1,0,0,0,0|2,0,0]=3 3501 B16R0.154 CCCCCCCCCN(C)CC(=O)OCC 269982a_100000232482_100000188475 [0,1,0,0,0,0|2,0,0]=3 3502 B16R0.154 CCCCCCCCNC(=O)CC(=O)OCC 240690a_100000229939_100000243816 [0,1,0,0,0,0|2,0,1]=4 3503 B16R0.154 CCCCCCCCNC(C)CC(=O)OCC 2230a_100000229939_100009817359 [0,1,0,0,0,0|2,0,0]=3 3504 B16R0.154 CCCCCCCCOC(C)CC(=O)OCC 7a_100000210232_100009817359 [0,1,0,0,0,0|2,0,0]=3 3505 B16R0.154 CCCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210759 [0,1,0,0,0,0|2,0,0]=3 3506 B16R0.154 CCCCCCCCSC(C)CC(=O)OCC 62a_100000210759_100009817359 [0,1,0,0,0,0|2,0,0]=3 3507 B16R0.154 CCCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210317 [0,1,0,0,0,0|2,0,0]=3 3508 B16R0.154 CCCCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210317 [0,1,0,0,0,0|3,0,0]=4 3509 B16R0.154 CCCCCCCCSC(C)OC(=O)OCC 62a_100000210759_100000036008 [0,1,0,0,0,0|3,0,0]=4 3510 B16R0.154 CCCCCCCNCC(=O)NC(=O)NCC 2230a_100000229938_100000183762 [0,1,0,0,0,0|2,0,1]=4 3511 B16R0.154 CCCCCCCOCC(=O)NC(=O)NCC 7a_100000210272_100000183762 [0,1,0,0,0,0|2,0,1]=4 3512 B16R0.154 CCCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210272_100000688340 [0,1,0,0,0,0|2,0,0]=3 3513 B16R0.154 CCCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210272_100000688340 [0,1,0,0,0,0|2,0,0]=3 3514 B16R0.154 CCCCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210316 [0,1,0,0,0,0|2,0,1]=4 3515 B16R0.154 CCCCCCCSCC(=O)CC(=O)OCC 62a_100000210614_100000210311 [0,1,0,0,0,0|2,0,1]=4 3516 B16R0.154 CCCCCCCSCC(=O)NC(=O)NCC 62a_100000210614_100000183762 [0,1,0,0,0,0|2,0,1]=4 3517 B16R0.154 CCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210614_100000688340 [0,1,0,0,0,0|2,0,0]=3 3518 B16R0.154 CCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210316 [0,1,0,0,0,0|2,0,0]=3 3519 B16R0.154 CCCCCOCCOC(C)CC(=O)OCC 7a_100011215259_100009817359 [0,1,0,0,0,0|3,0,0]=4 3520 B16R0.154 CCCCOCCCNC(C)CC(=O)OCC 2230a_200000211371_100009817359 [0,1,0,0,0,0|3,0,0]=4 3521 B16R0.154 CCCCOCCCOC(C)CC(=O)OCC 7a_200011215613_100009817359 [0,1,0,0,0,0|3,0,0]=4 3522 B16R0.154 CCCCOCCOCC(=O)CC(=O)NCC 1458a_100011216887_100000183381 [0,1,0,0,0,0|2,0,1]=4 3523 B16R0.154 CCCCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210238_100000688340 [0,1,0,0,0,0|3,0,0]=4 3524 B16R0.154 CCCCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210238_100000688340 [0,1,0,0,0,0|3,0,0]=4 3525 B16R0.154 CCCCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000743108 [0,1,0,0,0,0|3,0,0]=4 3526 B16R0.154 CCCCOCCSC[C@@H](O)CC(=O)OCC 62a_100000743108_100000688340 [0,1,0,0,0,0|3,0,0]=4 3527 B16R0.154 CCCCSCCOC[C@@H](O)CC(=O)OCC 34a_200000230436_100000688340 [0,1,0,0,0,0|3,0,0]=4 3528 B16R0.154 CCCCSCCOC[C@@H](O)CC(=O)OCC 7a_200000230436_100000688340 [0,1,0,0,0,0|3,0,0]=4 3529 B16R0.154 CCCOCCCNC[C@@H](O)CC(=O)OCC 34a_100011217757_100000688340 [0,1,0,0,0,0|3,0,0]=4 3530 B16R0.154 CCNC(=O)CN(C)CCCCCCCCO 2230a_100000741943_100000033203 [0,1,0,0,0,0|2,0,0]=3 3531 B16R0.154 CCNC(=O)CN(C)CCCCCCCCO 269982a_100000741943_100000033203 [0,1,0,0,0,0|2,0,0]=3 3532 B16R0.154 CCOC(=O)CC(=O)CCCCCCCCO 1458a_100000243816_100000033203 [0,1,0,0,0,0|2,0,1]=4 3533 B16R0.154 CCOC(=O)CC(C)NCCCCCCCO 2230a_100011996573_100009817359 [0,1,0,0,0,0|3,0,0]=4 3534 B16R0.154 CCOC(=O)CC(C)OCCCCCCCBr 7a_100000760002_100009817359 [0,1,0,0,0,0|3,0,0]=4 3535 B16R0.154 CCOC(=O)CC(C)OCCCCCCOC 7a_200012092642_100009817359 [0,1,0,0,0,0|3,0,0]=4 3536 B16R0.154 CCOC(=O)CC(C)SCCCCCCCO 62a_100000760002_100009817359 [0,1,0,0,0,0|3,0,0]=4 3537 B16R0.154 CCOC(=O)CC(C)SCCCCCCCO 62a_100009817359_100000760002 [0,1,0,0,0,0|3,0,0]=4 3538 B16R0.154 CCOC(=O)CC(C)SCCCCCCOC 62a_100009817359_100011998445 [0,1,0,0,0,0|3,0,0]=4 3539 B16R0.154 CCOC(=O)CC(C)SCCCCCCOC 62a_100011998445_100009817359 [0,1,0,0,0,0|3,0,0]=4 3540 B16R0.154 CCOC(=O)CN(C)CCCCCCCCO 2230a_100000220588_100000033203 [0,1,0,0,0,0|3,0,0]=4 3541 B16R0.154 CCOC(=O)C[C@@H](C)OCCCCCCCO 7a_100009816390_100000760002 [0,1,0,0,0,0|3,0,0]=4 3542 B16R0.154 CCOC(=O)C[C@@H](C)OCCCCCCOC 7a_100009816390_100011998445 [0,1,0,0,0,0|3,0,0]=4 3543 B16R0.154 CCOC(=O)C[C@H](O)CNCCCCCCO 34a_100000686447_100000688340 [0,1,0,0,0,0|3,0,0]=4 3544 B16R0.154 CCOC(=O)C[C@H](O)CNCCCCCOC 34a_100000747528_100000688340 [0,1,0,0,0,0|3,0,0]=4 3545 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCBr 34a_100011215345_100000688340 [0,1,0,0,0,0|3,0,0]=4 3546 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCBr 7a_100011215345_100000688340 [0,1,0,0,0,0|3,0,0]=4 3547 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCCl 34a_100000766143_100000688340 [0,1,0,0,0,0|3,0,0]=4 3548 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCCl 7a_100000766143_100000688340 [0,1,0,0,0,0|3,0,0]=4 3549 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCF 34a_100000732779_100000688340 [0,1,0,0,0,0|3,0,0]=4 3550 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCF 7a_100000732779_100000688340 [0,1,0,0,0,0|3,0,0]=4 3551 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCCN 34a_100000686447_100000688340 [0,1,0,0,0,0|3,0,0]=4 3552 B16R0.154 CCOC(=O)C[C@H](O)COCCCCCNC 34a_100000722520_100000688340 [0,1,0,0,0,0|3,0,0]=4 3553 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCF 62a_100000688340_100015922095 [0,1,0,0,0,0|3,0,0]=4 3554 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCF 62a_100015922095_100000688340 [0,1,0,0,0,0|3,0,0]=4 3555 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCO 62a_100000688340_100000766143 [0,1,0,0,0,0|3,0,0]=4 3556 B16R0.154 CCOC(=O)C[C@H](O)CSCCCCCCO 62a_100000766143_100000688340 [0,1,0,0,0,0|3,0,0]=4 3557 B16R0.183 CCCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210757 [0,1,0,0,0,0|1,0,1]=3 3558 B16R0.183 CCCCCCC(=O)CCCCC(=O)OCC 1458a_100102632555_100000750268 [0,1,0,0,0,0|1,0,1]=3 3559 B16R0.183 CCCCCCC(=O)CCOCC(=O)OCC 1458a_100102632555_100000088970 [0,1,0,0,0,0|2,0,1]=4 3560 B16R0.183 CCCCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100102632555 [0,1,0,0,0,0|2,0,1]=4 3561 B16R0.183 CCCCCCC(C)CCOCC(=O)CCC 7a_200011024964_100000747444 [0,1,0,0,0,0|2,0,0]=3 3562 B16R0.183 CCCCCCC(C)CCOCC(=O)NCC 34a_200011024964_100000183381 [0,1,0,0,0,0|1,0,0]=2 3563 B16R0.183 CCCCCCC(C)CCOCC(=O)NCC 7a_200011024964_100000183381 [0,1,0,0,0,0|1,0,0]=2 3564 B16R0.183 CCCCCCC(C)CCOCC(=O)NCO 34a_200011024964_100000185155 [0,1,0,0,0,0|2,0,0]=3 3565 B16R0.183 CCCCCCC(C)CCOCC(=O)NCO 7a_200011024964_100000185155 [0,1,0,0,0,0|2,0,0]=3 3566 B16R0.183 CCCCCCC(C)CCOCC(=O)OCC 34a_200011024964_100000188475 [0,1,0,0,0,0|2,0,0]=3 3567 B16R0.183 CCCCCCC(C)CCOCC(=O)OCC 7a_200011024964_100000188475 [0,1,0,0,0,0|2,0,0]=3 3568 B16R0.183 CCCCCCC(C)NCCCC(=O)OCC 2230a_100000210919_100009991533 [0,1,0,0,0,0|2,0,0]=3 3569 B16R0.183 CCCCCCC(C)NCCCC(=O)OCC 34a_100000210919_100009991533 [0,1,0,0,0,0|2,0,0]=3 3570 B16R0.183 CCCCCCC(C)OCCCC(=O)OCC 34a_100000210265_100009991533 [0,1,0,0,0,0|2,0,0]=3 3571 B16R0.183 CCCCCCC(C)OCCCC(=O)OCC 7a_100000210265_100011215271 [0,1,0,0,0,0|2,0,0]=3 3572 B16R0.183 CCCCCCC(C)OCCCC(=O)OCC 7a_100012001163_100011215978 [0,1,0,0,0,0|2,0,0]=3 3573 B16R0.183 CCCCCCC(C)OCCNC(=O)OCC 34a_100000158857_100011215978 [0,1,0,0,0,0|3,0,0]=4 3574 B16R0.183 CCCCCCC(C)OCCNC(=O)OCC 7a_100000210265_200011445536 [0,1,0,0,0,0|3,0,0]=4 3575 B16R0.183 CCCCCCC(C)SCCCC(=O)OCC 62a_100009991533_100011215978 [0,1,0,0,0,0|2,0,0]=3 3576 B16R0.183 CCCCCCC(C)SCCCC(=O)OCC 62a_100011215978_100009991533 [0,1,0,0,0,0|2,0,0]=3 3577 B16R0.183 CCCCCCC(C)SCCNC(=O)OCC 62a_100011215978_200011445536 [0,1,0,0,0,0|3,0,0]=4 3578 B16R0.183 CCCCCCN(C)CCCCC(=O)OCC 2230a_106256046315_100000750268 [0,1,0,0,0,0|2,0,0]=3 3579 B16R0.183 CCCCCCN(C)CCCCC(=O)OCC 269982a_106256046315_100000750268 [0,1,0,0,0,0|2,0,0]=3 3580 B16R0.183 CCCCCCN(C)CCOCC(=O)OCC 2230a_106256046315_100000088970 [0,1,0,0,0,0|3,0,0]=4 3581 B16R0.183 CCCCCCN(C)CCOCC(=O)OCC 269982a_106256046315_100000088970 [0,1,0,0,0,0|3,0,0]=4 3582 B16R0.183 CCCCCNC(=O)CCCCC(=O)OCC 11a_100000209983_100011217402 [0,1,0,0,0,0|2,0,1]=4 3583 B16R0.183 CCCCCNC(=O)CCCCC(=O)OCC 1626a_100000209983_100011217402 [0,1,0,0,0,0|2,0,1]=4 3584 B16R0.183 CCCCCNC(=O)CCCCC(=O)OCC 240690a_100000209983_100011217402 [0,1,0,0,0,0|2,0,1]=4 3585 B16R0.183 CCCCCNC(=O)CCCCC(=O)OCC 527a_100000209983_100011217402 [0,1,0,0,0,0|2,0,1]=4 3586 B16R0.183 CCCCCNC(=O)CNCCC(=O)NCC 34a_100025743525_100000230301 [0,1,0,0,0,0|2,0,1]=4 3587 B16R0.183 CCCCCNC(=O)CSCCC(=O)NCC 62a_100000230301_100000737597 [0,1,0,0,0,0|2,0,1]=4 3588 B16R0.183 CCCCCNC(=O)CSCCC(=O)NCC 62a_100000737597_100000230301 [0,1,0,0,0,0|2,0,1]=4 3589 B16R0.183 CCCCOCC(=O)CCCCC(=O)OCC 1458a_100000757543_100000750268 [0,1,0,0,0,0|2,0,1]=4 3590 B16R0.183 CCCCOCC(=O)CCCCC(=O)OCC 1458a_100011217402_100011995733 [0,1,0,0,0,0|2,0,1]=4 3591 B16R0.183 CCCCOCC(C)OCCCC(=O)OCC 34a_100011217071_100009991533 [0,1,0,0,0,0|3,0,0]=4 3592 B16R0.183 CCCCOCC(C)OCCCC(=O)OCC 7a_100011217071_100011215271 [0,1,0,0,0,0|3,0,0]=4 3593 B16R0.183 CCCCSCC(=O)CCCCC(=O)OCC 1458a_100000191162_100000750268 [0,1,0,0,0,0|2,0,1]=4 3594 B16R0.183 CCCOCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100011215938 [0,1,0,0,0,0|2,0,1]=4 3595 B16R0.183 CCOC(=O)CCCCC(=O)CCCCCF 1458a_100011217402_100000729378 [0,1,0,0,0,0|2,0,1]=4 3596 B16R0.183 CCOC(=O)CCCCC(=O)CCCCCO 1458a_100011217402_100000746330 [0,1,0,0,0,0|2,0,1]=4 3597 B16R0.183 CCOC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000750268 [0,1,0,0,0,0|2,0,1]=4 3598 B16R0.183 CCOC(=O)CCCCC(=O)CCCCOC 1458a_100011217402_100000755781 [0,1,0,0,0,0|2,0,1]=4 3599 B16R0.183 CCOC(=O)CCCCN(C)CCCCCO 2230a_100000722520_100000750268 [0,1,0,0,0,0|3,0,0]=4 3600 B16R0.183 CCOC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000750268 [0,1,0,0,0,0|3,0,0]=4 3601 B16R0.183 CCOCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100012232248 [0,1,0,0,0,0|2,0,1]=4 3602 B16R0.195 CCCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210211 [0,1,0,0,0,0|1,0,1]=3 3603 B16R0.195 CCCCC(=O)CCCCCCC(=O)OCC 1458a_100000210183_100009814379 [0,1,0,0,0,0|1,0,1]=3 3604 B16R0.195 CCCCC(=O)NCCCCCC(=O)OCC 188690a_100000062434_100000210183 [0,1,0,0,0,0|2,0,1]=4 3605 B16R0.195 CCCCC(C)CCCCOCC(=O)CCC 7a_200011021034_100000747444 [0,1,0,0,0,0|2,0,0]=3 3606 B16R0.195 CCCCC(C)CCCCOCC(=O)NCC 34a_200011021034_100000183381 [0,1,0,0,0,0|1,0,0]=2 3607 B16R0.195 CCCCC(C)CCCCOCC(=O)NCC 7a_200011021034_100000183381 [0,1,0,0,0,0|1,0,0]=2 3608 B16R0.195 CCCCC(C)CCCCOCC(=O)NCO 34a_200011021034_100000185155 [0,1,0,0,0,0|2,0,0]=3 3609 B16R0.195 CCCCC(C)CCCCOCC(=O)NCO 7a_200011021034_100000185155 [0,1,0,0,0,0|2,0,0]=3 3610 B16R0.195 CCCCC(C)CCCCOCC(=O)OCC 34a_200011021034_100000188475 [0,1,0,0,0,0|2,0,0]=3 3611 B16R0.195 CCCCC(C)CCCCOCC(=O)OCC 7a_200011021034_100000188475 [0,1,0,0,0,0|2,0,0]=3 3612 B16R0.195 CCCCC(C)COCCCCC(=O)OCC 34a_100011995851_100000750268 [0,1,0,0,0,0|2,0,0]=3 3613 B16R0.195 CCCCC(C)COCCCCC(=O)OCC 7a_100011995851_100000750268 [0,1,0,0,0,0|2,0,0]=3 3614 B16R0.195 CCCCC(C)COCCOCC(=O)OCC 34a_100011995851_100000088970 [0,1,0,0,0,0|3,0,0]=4 3615 B16R0.195 CCCCC(C)COCCOCC(=O)OCC 7a_100011995851_100000088970 [0,1,0,0,0,0|3,0,0]=4 3616 B16R0.195 CCCCC(C)NCCCCCC(=O)OCC 2230a_100000126638_100000755133 [0,1,0,0,0,0|2,0,0]=3 3617 B16R0.195 CCCCC(C)NCCCOCC(=O)OCC 2230a_100000126638_100009893628 [0,1,0,0,0,0|3,0,0]=4 3618 B16R0.195 CCCCC(C)OCCCCCC(=O)OCC 34a_100000687866_100000755133 [0,1,0,0,0,0|2,0,0]=3 3619 B16R0.195 CCCCC(C)OCCCCCC(=O)OCC 7a_100000687866_100000755133 [0,1,0,0,0,0|2,0,0]=3 3620 B16R0.195 CCCCC(C)OCCCCCC(=O)OCC 7a_100011214988_200011215066 [0,1,0,0,0,0|2,0,0]=3 3621 B16R0.195 CCCCC(C)OCCCOCC(=O)OCC 34a_100000687866_100009893628 [0,1,0,0,0,0|3,0,0]=4 3622 B16R0.195 CCCCC(C)OCCCOCC(=O)OCC 7a_100000687866_100009893628 [0,1,0,0,0,0|3,0,0]=4 3623 B16R0.195 CCCCC(C)SCCCCCC(=O)OCC 62a_100000755133_200011215066 [0,1,0,0,0,0|2,0,0]=3 3624 B16R0.195 CCCCC(C)SCCCCCC(=O)OCC 62a_200011215066_100000755133 [0,1,0,0,0,0|2,0,0]=3 3625 B16R0.195 CCCCC(C)SCCCOCC(=O)OCC 62a_100009893628_200011215066 [0,1,0,0,0,0|3,0,0]=4 3626 B16R0.195 CCCCC(C)SCCCOCC(=O)OCC 62a_200011215066_100009893628 [0,1,0,0,0,0|3,0,0]=4 3627 B16R0.195 CCCCN(C)CCCCCCC(=O)OCC 2230a_100000207549_100009814379 [0,1,0,0,0,0|2,0,0]=3 3628 B16R0.195 CCCCN(C)CCCCCCC(=O)OCC 269982a_100000207549_100009814379 [0,1,0,0,0,0|2,0,0]=3 3629 B16R0.195 CCCC[C@H](N)COCCCCC(=O)OCC 34a_100011934283_100000750268 [0,1,0,0,0,0|2,0,0]=3 3630 B16R0.195 CCCC[C@H](N)COCCOCC(=O)OCC 34a_100011934283_100000088970 [0,1,0,0,0,0|3,0,0]=4 3631 B16R0.195 CCCNC(=O)CCCCCCC(=O)OCC 11a_100020643023_100000031895 [0,1,0,0,0,0|2,0,1]=4 3632 B16R0.195 CCCNC(=O)CCCCCCC(=O)OCC 1626a_100020643023_100000031895 [0,1,0,0,0,0|2,0,1]=4 3633 B16R0.195 CCCNC(=O)CCCCCCC(=O)OCC 240690a_100020643023_100000031895 [0,1,0,0,0,0|2,0,1]=4 3634 B16R0.195 CCCNC(=O)CCCCCCC(=O)OCC 527a_100020643023_100000031895 [0,1,0,0,0,0|2,0,1]=4 3635 B16R0.195 CCCNC(=O)CCCSCCC(=O)NCC 62a_100000737597_100011194427 [0,1,0,0,0,0|2,0,1]=4 3636 B16R0.195 CCCNC(=O)CCCSCCC(=O)NCC 62a_100011194427_100000737597 [0,1,0,0,0,0|2,0,1]=4 3637 B16R0.195 CCCOC(C)CNCCCCC(=O)OCC 2230a_100015185124_100000750268 [0,1,0,0,0,0|3,0,0]=4 3638 B16R0.195 CCCOC(C)CNCCCCC(=O)OCC 34a_100015185124_100000750268 [0,1,0,0,0,0|3,0,0]=4 3639 B16R0.195 CCOC(=O)CCCCCCC(=O)CCCF 1458a_100000031895_100011934791 [0,1,0,0,0,0|2,0,1]=4 3640 B16R0.195 CCOC(=O)CCCCCCC(=O)CCCO 1458a_100000031895_100011215043 [0,1,0,0,0,0|2,0,1]=4 3641 B16R0.195 CCOC(=O)CCCCCCC(=O)CCOC 1458a_100000031895_100000233755 [0,1,0,0,0,0|2,0,1]=4 3642 B16R0.195 CCOC(=O)CCCCCCC(=O)CCOC 1458a_100000749529_100009814379 [0,1,0,0,0,0|2,0,1]=4 3643 B16R0.195 CCOC(=O)CCCCCCC(=O)CCSC 1458a_100000031895_100000751147 [0,1,0,0,0,0|2,0,1]=4 3644 B16R0.195 CCOC(=O)CCCCCCC(=O)CCSC 1458a_100000174002_100009814379 [0,1,0,0,0,0|2,0,1]=4 3645 B16R0.195 CCOC(=O)CCCCCCC(=O)CSCC 1458a_100000230394_100009814379 [0,1,0,0,0,0|2,0,1]=4 3646 B16R0.195 CCOC(=O)CCCCCCN(C)CCCO 2230a_100000213112_100009814379 [0,1,0,0,0,0|3,0,0]=4 3647 B16R0.195 CCOC(=O)CCCCCCN(C)CCCO 269982a_100000213112_100009814379 [0,1,0,0,0,0|3,0,0]=4 3648 B16R0.195 CCOC(=O)CCCCCCN(C)CCOC 2230a_100000743101_100009814379 [0,1,0,0,0,0|3,0,0]=4 3649 B16R0.195 CCOC(=O)CCCCCCN(C)CCOC 269982a_100000743101_100009814379 [0,1,0,0,0,0|3,0,0]=4 3650 B16R0.195 CCOC(=O)CCCCCCN(C)CCSC 2230a_100000686725_100009814379 [0,1,0,0,0,0|3,0,0]=4 3651 B16R0.195 CCOC(=O)CCCCCCN(C)CCSC 269982a_100000686725_100009814379 [0,1,0,0,0,0|3,0,0]=4 3652 B16R0.195 CCOC(=O)CCCCCOC(C)CCCCl 34a_200000718107_100000755133 [0,1,0,0,0,0|3,0,0]=4 3653 B16R0.195 CCOC(=O)CCCCCOC(C)CCCCl 7a_200000718107_100000755133 [0,1,0,0,0,0|3,0,0]=4 3654 B16R0.195 CCOC(=O)CCCCNC[C@H](C)CCCO 2230a_100160569302_100000750268 [0,1,0,0,0,0|3,0,0]=4 3655 B16R0.195 CCOC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100000750268 [0,1,0,0,0,0|3,0,0]=4 3656 B16R0.195 CCOC(=O)CCCCOC[C@@H](N)CCSC 34a_100011827619_100000750268 [0,1,0,0,0,0|3,0,0]=4 3657 B16R0.195 CCOCC(=O)CCCCCCC(=O)OCC 1458a_100000211967_100009814379 [0,1,0,0,0,0|2,0,1]=4 3658 B16R0.195 CCOCC(C)OCCCCCC(=O)OCC 34a_100000718985_100000755133 [0,1,0,0,0,0|3,0,0]=4 3659 B16R0.195 CCOCC(C)OCCCCCC(=O)OCC 7a_100000718985_100000755133 [0,1,0,0,0,0|3,0,0]=4 3660 B16R0.195 CCOCC(O)CNCCCCC(=O)OCC 2230a_102515437182_100000750268 [0,1,0,0,0,0|3,0,0]=4 3661 B16R0.195 CCOCC(O)CNCCCCC(=O)OCC 34a_102515437182_100000750268 [0,1,0,0,0,0|3,0,0]=4 3662 B16R0.220 CCCCCCCCCCCC(CC)NCC 270004a_100015525214_100011216094 [0,1,0,0,0,0|1,0,1]=3 3663 B16R0.220 CCCCCCCCCCCN(CC)CCC 2230a_100000226822_100011215454 [0,1,0,0,0,0|3,0,0]=4 3664 B16R0.220 CCCCCCCCCCCN(CC)CCC 269982a_100000226822_100011215454 [0,1,0,0,0,0|3,0,0]=4 3665 B16R0.299 CCCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210326 [0,1,0,0,0,0|1,0,1]=3 3666 B16R0.299 CCCCCC(=O)CCCCCC(=O)OCC 1458a_100000212188_100000755133 [0,1,0,0,0,0|1,0,1]=3 3667 B16R0.299 CCCCCC(=O)CCCOCC(=O)OCC 1458a_100000212188_100009893628 [0,1,0,0,0,0|2,0,1]=4 3668 B16R0.299 CCCCCC(=O)COCCCC(=O)OCC 7a_100012001163_200012276598 [0,1,0,0,0,0|2,0,1]=4 3669 B16R0.299 CCCCCC(=O)CSCCCC(=O)OCC 62a_100009991533_200012276598 [0,1,0,0,0,0|2,0,1]=4 3670 B16R0.299 CCCCCC(=O)CSCCCC(=O)OCC 62a_200012276598_100009991533 [0,1,0,0,0,0|2,0,1]=4 3671 B16R0.299 CCCCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000212188 [0,1,0,0,0,0|2,0,1]=4 3672 B16R0.299 CCCCCC(C)NCCCCC(=O)OCC 2230a_100000211957_100000750268 [0,1,0,0,0,0|2,0,0]=3 3673 B16R0.299 CCCCCC(C)NCCOCC(=O)OCC 2230a_100000211957_100000088970 [0,1,0,0,0,0|3,0,0]=4 3674 B16R0.299 CCCCCC(C)OCCCCC(=O)OCC 34a_100011215632_100000750268 [0,1,0,0,0,0|2,0,0]=3 3675 B16R0.299 CCCCCC(C)OCCCCC(=O)OCC 7a_100011215632_100000750268 [0,1,0,0,0,0|2,0,0]=3 3676 B16R0.299 CCCCCC(C)OCCOCC(=O)OCC 34a_100011215632_100000088970 [0,1,0,0,0,0|3,0,0]=4 3677 B16R0.299 CCCCCC(C)OCCOCC(=O)OCC 7a_100011215632_100000088970 [0,1,0,0,0,0|3,0,0]=4 3678 B16R0.299 CCCCCC(C)OCCSCC(=O)OCC 7a_200000230590_200011218191 [0,1,0,0,0,0|3,0,0]=4 3679 B16R0.299 CCCCCC(C)SCCCCC(=O)OCC 62a_100000750268_200011218191 [0,1,0,0,0,0|2,0,0]=3 3680 B16R0.299 CCCCCC(C)SCCCCC(=O)OCC 62a_200011218191_100000750268 [0,1,0,0,0,0|2,0,0]=3 3681 B16R0.299 CCCCCC(C)SCCOCC(=O)OCC 62a_100000088970_200011218191 [0,1,0,0,0,0|3,0,0]=4 3682 B16R0.299 CCCCCC(C)SCCOCC(=O)OCC 62a_200011218191_100000088970 [0,1,0,0,0,0|3,0,0]=4 3683 B16R0.299 CCCCCN(C)CCCCCC(=O)OCC 2230a_100000223495_100000755133 [0,1,0,0,0,0|2,0,0]=3 3684 B16R0.299 CCCCCN(C)CCCCCC(=O)OCC 269982a_100000223495_100000755133 [0,1,0,0,0,0|2,0,0]=3 3685 B16R0.299 CCCCCN(C)CCCOCC(=O)OCC 2230a_100000223495_100009893628 [0,1,0,0,0,0|3,0,0]=4 3686 B16R0.299 CCCCCN(C)CCCOCC(=O)OCC 269982a_100000223495_100009893628 [0,1,0,0,0,0|3,0,0]=4 3687 B16R0.299 CCCCNC(=O)CCCCCC(=O)OCC 11a_100000102301_100000037472 [0,1,0,0,0,0|2,0,1]=4 3688 B16R0.299 CCCCNC(=O)CCCCCC(=O)OCC 1626a_100000102301_100000037472 [0,1,0,0,0,0|2,0,1]=4 3689 B16R0.299 CCCCNC(=O)CCCCCC(=O)OCC 240690a_100000102301_100000037472 [0,1,0,0,0,0|2,0,1]=4 3690 B16R0.299 CCCCNC(=O)CCCCCC(=O)OCC 527a_100000102301_100000037472 [0,1,0,0,0,0|2,0,1]=4 3691 B16R0.299 CCCOCC(=O)CCCCCC(=O)OCC 1458a_100000745993_100000755133 [0,1,0,0,0,0|2,0,1]=4 3692 B16R0.299 CCCSCC(=O)CCCCCC(=O)OCC 1458a_100000217233_100000755133 [0,1,0,0,0,0|2,0,1]=4 3693 B16R0.299 CCOC(=O)CCCCCC(=O)CCCCF 1458a_100000037472_100000729493 [0,1,0,0,0,0|2,0,1]=4 3694 B16R0.299 CCOC(=O)CCCCCC(=O)CCCCO 1458a_100000037472_100000210776 [0,1,0,0,0,0|2,0,1]=4 3695 B16R0.299 CCOC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100000755133 [0,1,0,0,0,0|2,0,1]=4 3696 B16R0.299 CCOC(=O)CCCCCC(=O)CCCOC 1458a_100000037472_100000740836 [0,1,0,0,0,0|2,0,1]=4 3697 B16R0.299 CCOC(=O)CCCCCC(=O)CCCOC 1458a_100000741012_100000755133 [0,1,0,0,0,0|2,0,1]=4 3698 B16R0.299 CCOC(=O)CCCCCC(=O)CCCSC 1458a_100000173376_100000755133 [0,1,0,0,0,0|2,0,1]=4 3699 B16R0.299 CCOC(=O)CCCCCC(=O)CCSCC 1458a_100000037472_100000757381 [0,1,0,0,0,0|2,0,1]=4 3700 B16R0.299 CCOC(=O)CCCCCC(=O)CCSCC 1458a_100000230768_100000755133 [0,1,0,0,0,0|2,0,1]=4 3701 B16R0.299 CCOC(=O)CCCCCN(C)CCCCO 2230a_100000717598_100000755133 [0,1,0,0,0,0|3,0,0]=4 3702 B16R0.299 CCOC(=O)CCCCCN(C)CCCCO 269982a_100000717598_100000755133 [0,1,0,0,0,0|3,0,0]=4 3703 B16R0.299 CCOC(=O)CCCCCN(C)CCCOC 2230a_100000224831_100000755133 [0,1,0,0,0,0|3,0,0]=4 3704 B16R0.299 CCOC(=O)CCCCCN(C)CCCOC 269982a_100000224831_100000755133 [0,1,0,0,0,0|3,0,0]=4 3705 B16R0.299 CCOC(=O)CCCCOC(C)CCCOC 34a_200011539412_100000750268 [0,1,0,0,0,0|3,0,0]=4 3706 B16R0.299 CCOC(=O)CCCCOC(C)CCCOC 7a_200011539412_100000750268 [0,1,0,0,0,0|3,0,0]=4 3707 B16R0.299 CCOC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100009991533 [0,1,0,0,0,0|3,0,0]=4 3708 B16R0.299 CCOCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100011215890 [0,1,0,0,0,0|2,0,1]=4 3709 B16R0.299 CCOCCC(=O)CCCCCC(=O)OCC 1458a_100000749530_100000755133 [0,1,0,0,0,0|2,0,1]=4 3710 B16R0.302 C#CCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100153394163 [0,1,0,0,0,0|1,0,2]=4 3711 B16R0.302 C#CCCCCCCCOCC(=O)NC(C)C 34a_100000054614_100000183996 [0,1,0,0,0,0|1,0,2]=4 3712 B16R0.302 C#CCCCCCCCOCC(=O)NC(C)C 7a_100000054614_100000183996 [0,1,0,0,0,0|1,0,2]=4 3713 B16R0.302 C#CCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100153394163 [0,1,0,0,0,0|1,0,2]=4 3714 B16R0.302 C#CCCCCCCCSCC(=O)NC(C)C 62a_100153394163_100000183996 [0,1,0,0,0,0|1,0,2]=4 3715 B16R0.302 C#CCCCCCCOCCC(=O)NC(C)C 7a_100011217361_100000737564 [0,1,0,0,0,0|1,0,2]=4 3716 B16R0.302 C#CCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100012276617 [0,1,0,0,0,0|1,0,2]=4 3717 B16R0.302 C#CCCCCCCSCCC(=O)NC(C)C 62a_100012276617_100000737564 [0,1,0,0,0,0|1,0,2]=4 3718 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [0,1,0,0,0,0|1,0,1]=3 3719 B16R0.302 C=C(F)CC(=O)CCCCCCCCCCC 1458a_100000210736_100009893438 [0,1,0,0,0,0|1,0,2]=4 3720 B16R0.302 C=CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100009814027 [0,1,0,0,0,0|1,0,2]=4 3721 B16R0.302 C=CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100009814027 [0,1,0,0,0,0|1,0,2]=4 3722 B16R0.302 C=CCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100012355270 [0,1,0,0,0,0|1,0,2]=4 3723 B16R0.302 C=CCCCCCCCOCC(=O)NC(C)C 34a_100000730831_100000183996 [0,1,0,0,0,0|1,0,2]=4 3724 B16R0.302 C=CCCCCCCCOCC(=O)NC(C)C 7a_100000730831_100000183996 [0,1,0,0,0,0|1,0,2]=4 3725 B16R0.302 C=CCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100012355270 [0,1,0,0,0,0|1,0,2]=4 3726 B16R0.302 C=CCCCCCCCSCC(=O)NC(C)C 62a_100012355270_100000183996 [0,1,0,0,0,0|1,0,2]=4 3727 B16R0.302 C=CCCCCCCOCCC(=O)NC(C)C 7a_200011216477_100000737564 [0,1,0,0,0,0|1,0,2]=4 3728 B16R0.302 C=CCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100011215473 [0,1,0,0,0,0|1,0,2]=4 3729 B16R0.302 C=CCCCCCCSCCC(=O)NC(C)C 62a_100011215473_100000737564 [0,1,0,0,0,0|1,0,2]=4 3730 B16R0.302 CC(=CC(=O)CCCCCCCCCCO)C 1458a_100000211388_100009813290 [0,1,0,0,0,0|2,0,1]=4 3731 B16R0.302 CC(=CC(=O)CCCCCCCCCCO)Cl 1458a_200042562850_100009813290 [0,1,0,0,0,0|2,0,1]=4 3732 B16R0.302 CC(=CC(=O)CCCCCCCCCCO)I 1458a_100025716642_100009813290 [0,1,0,0,0,0|2,0,1]=4 3733 B16R0.302 CC(=O)NC(=O)COCCCCCCCCBr 7a_100009813846_100000183797 [0,1,0,0,0,0|2,0,1]=4 3734 B16R0.302 CC(=O)NC(=O)COCCCCCCCCCl 7a_100000033203_100000183797 [0,1,0,0,0,0|2,0,1]=4 3735 B16R0.302 CC(=O)NC(=O)CSCCCCCCCCO 62a_100000033203_100000183797 [0,1,0,0,0,0|2,0,1]=4 3736 B16R0.302 CC(C)CC(=O)CCCCCCCCCCO 1458a_100000210554_100009813290 [0,1,0,0,0,0|2,0,0]=3 3737 B16R0.302 CC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000210554 [0,1,0,0,0,0|3,0,0]=4 3738 B16R0.302 CC(C)NC(=O)CCCCCCCCCCO 240690a_100138425928_200000016029 [0,1,0,0,0,0|1,0,0]=2 3739 B16R0.302 CC(C)NC(=O)CCNCCCCCCCO 2230a_100011996573_100000737564 [0,1,0,0,0,0|2,0,0]=3 3740 B16R0.302 CC(C)NC(=O)CCNCCCOCCCO 2230a_100011310245_100000737564 [0,1,0,0,0,0|3,0,0]=4 3741 B16R0.302 CC(C)NC(=O)CCOCCCCCCCBr 7a_100000760002_100000737564 [0,1,0,0,0,0|2,0,0]=3 3742 B16R0.302 CC(C)NC(=O)CCSCCCCCCC#N 62a_100000737564_100009813337 [0,1,0,0,0,0|2,0,1]=4 3743 B16R0.302 CC(C)NC(=O)CCSCCCCCCC#N 62a_100009813337_100000737564 [0,1,0,0,0,0|2,0,1]=4 3744 B16R0.302 CC(C)NC(=O)CCSCCCCCCCO 62a_100000737564_100000760002 [0,1,0,0,0,0|2,0,0]=3 3745 B16R0.302 CC(C)NC(=O)CCSCCCCCCCO 62a_100000760002_100000737564 [0,1,0,0,0,0|2,0,0]=3 3746 B16R0.302 CC(C)NC(=O)CNCCCCCCCCO 2230a_100000168517_100000033203 [0,1,0,0,0,0|2,0,0]=3 3747 B16R0.302 CC(C)NC(=O)CNCCCCCCCCO 2230a_102515433106_100000183996 [0,1,0,0,0,0|2,0,0]=3 3748 B16R0.302 CC(C)NC(=O)CNCCCCCCCCO 34a_102515433106_100000183996 [0,1,0,0,0,0|2,0,0]=3 3749 B16R0.302 CC(C)NC(=O)COCCCCCCCCBr 34a_100009813846_100000183996 [0,1,0,0,0,0|2,0,0]=3 3750 B16R0.302 CC(C)NC(=O)COCCCCCCCCBr 7a_100009813846_100000183996 [0,1,0,0,0,0|2,0,0]=3 3751 B16R0.302 CC(C)NC(=O)COCCCCCCCCCl 34a_100000033203_100000183996 [0,1,0,0,0,0|2,0,0]=3 3752 B16R0.302 CC(C)NC(=O)COCCCCCCCCCl 7a_100000033203_100000183996 [0,1,0,0,0,0|2,0,0]=3 3753 B16R0.302 CC(C)NC(=O)COCCCCCCCCN 34a_102515433106_100000183996 [0,1,0,0,0,0|2,0,0]=3 3754 B16R0.302 CC(C)NC(=O)COCCCCCNCCN 34a_103619048469_100000183996 [0,1,0,0,0,0|3,0,0]=4 3755 B16R0.302 CC(C)NC(=O)CSCCCCCCCCO 62a_100000033203_100000183996 [0,1,0,0,0,0|2,0,0]=3 3756 B16R0.302 CC(C)NC(=O)CSCCCCCCCCO 62a_100000183996_100000033203 [0,1,0,0,0,0|2,0,0]=3 3757 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100138425928 [0,1,0,0,0,0|2,0,0]=3 3758 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 2708a_100138425928_100000078944 [0,1,0,0,0,0|2,0,0]=3 3759 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 273464a_100138425928_100000078944 [0,1,0,0,0,0|2,0,0]=3 3760 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 512a_100000078944_100138425928 [0,1,0,0,0,0|2,0,0]=3 3761 B16R0.302 CC(C)NC(=O)NCCCCCCCCCO 512a_100138425928_100000078944 [0,1,0,0,0,0|2,0,0]=3 3762 B16R0.302 CC(C)OC(=O)CCCCCNCCCCO 2230a_100000750430_200010986244 [0,1,0,0,0,0|3,0,0]=4 3763 B16R0.302 CC(C)OC(=O)CCCCCNCCCCO 34a_100000750430_200010986244 [0,1,0,0,0,0|3,0,0]=4 3764 B16R0.302 CC(C)OC(=O)CCCCCOCCCCBr 34a_100011216708_200010986244 [0,1,0,0,0,0|3,0,0]=4 3765 B16R0.302 CC(C)OC(=O)CCCCCOCCCCCl 34a_100000210776_200010986244 [0,1,0,0,0,0|3,0,0]=4 3766 B16R0.302 CC(C)OC(=O)CCCCCOCCCCCl 7a_100000210776_200010986244 [0,1,0,0,0,0|3,0,0]=4 3767 B16R0.302 CC(C)OC(=O)CCCCCOCCCCF 34a_100011995726_200010986244 [0,1,0,0,0,0|3,0,0]=4 3768 B16R0.302 CC(C)OC(=O)CCCCCOCCCCF 7a_100011995726_200010986244 [0,1,0,0,0,0|3,0,0]=4 3769 B16R0.302 CC(C)OC(=O)CCCCCOCCCCI 34a_200012148704_200010986244 [0,1,0,0,0,0|3,0,0]=4 3770 B16R0.302 CC(C)OC(=O)CCCCCOCCCCN 34a_100000750430_200010986244 [0,1,0,0,0,0|3,0,0]=4 3771 B16R0.302 CC(C)OC(=O)CCCCCSCCCCF 62a_100000729493_200010986244 [0,1,0,0,0,0|3,0,0]=4 3772 B16R0.302 CC(C)OC(=O)CCCCCSCCCCF 62a_200010986244_100000729493 [0,1,0,0,0,0|3,0,0]=4 3773 B16R0.302 CC(C)OC(=O)CCCCCSCCCCO 62a_100000210776_200010986244 [0,1,0,0,0,0|3,0,0]=4 3774 B16R0.302 CC(C)OC(=O)CCCCCSCCCCO 62a_200010986244_100000210776 [0,1,0,0,0,0|3,0,0]=4 3775 B16R0.302 CC(C)OC(=O)CCNCCCCCCCO 2230a_100011996573_100000760027 [0,1,0,0,0,0|3,0,0]=4 3776 B16R0.302 CC(C)OC(=O)CCOCCCCCCCBr 7a_100000760002_100000760027 [0,1,0,0,0,0|3,0,0]=4 3777 B16R0.302 CC(C)OC(=O)CCSCCCCCCCO 62a_100000760002_100000760027 [0,1,0,0,0,0|3,0,0]=4 3778 B16R0.302 CC(C)OC(=O)CCSCCCCCCCO 62a_100000760027_100000760002 [0,1,0,0,0,0|3,0,0]=4 3779 B16R0.302 CC(C)OC(=O)CNCCCCCCCCO 2230a_102515433106_100011215430 [0,1,0,0,0,0|3,0,0]=4 3780 B16R0.302 CC(C)OC(=O)CNCCCCCCCCO 34a_102515433106_100011215430 [0,1,0,0,0,0|3,0,0]=4 3781 B16R0.302 CC(C)OC(=O)COCCCCCCCCBr 34a_100009813846_100011215430 [0,1,0,0,0,0|3,0,0]=4 3782 B16R0.302 CC(C)OC(=O)COCCCCCCCCBr 7a_100009813846_100011215430 [0,1,0,0,0,0|3,0,0]=4 3783 B16R0.302 CC(C)OC(=O)COCCCCCCCCCl 34a_100000033203_100011215430 [0,1,0,0,0,0|3,0,0]=4 3784 B16R0.302 CC(C)OC(=O)COCCCCCCCCCl 7a_100000033203_100011215430 [0,1,0,0,0,0|3,0,0]=4 3785 B16R0.302 CC(C)OC(=O)COCCCCCCCCN 34a_102515433106_100011215430 [0,1,0,0,0,0|3,0,0]=4 3786 B16R0.302 CC(C)OC(=O)CSCCCCCCCCO 62a_100000033203_100011215430 [0,1,0,0,0,0|3,0,0]=4 3787 B16R0.302 CC(C)OC(=O)CSCCCCCCCCO 62a_100011215430_100000033203 [0,1,0,0,0,0|3,0,0]=4 3788 B16R0.302 CC/C=C\CCCCCNCC(=O)NC(C)C 269862a_100000168517_100016288537 [0,1,0,0,0,0|1,0,2]=4 3789 B16R0.302 CC/C=C\CCCCCOCC(=O)NC(C)C 34a_100016268722_100000183996 [0,1,0,0,0,0|1,0,2]=4 3790 B16R0.302 CC/C=C\CCCCCOCC(=O)NC(C)C 7a_100016268722_100000183996 [0,1,0,0,0,0|1,0,2]=4 3791 B16R0.302 CC/C=C\CCCCOCCC(=O)NC(C)C 7a_100016287862_100000737564 [0,1,0,0,0,0|1,0,2]=4 3792 B16R0.302 CCCC/C=C\CCOCCC(=O)NC(C)C 7a_200016286491_100000737564 [0,1,0,0,0,0|1,0,2]=4 3793 B16R0.302 CCCCC#CCCCNCC(=O)NC(C)C 2230a_100000168517_200000047210 [0,1,0,0,0,0|1,0,2]=4 3794 B16R0.302 CCCCC#CCCCSCC(=O)NC(C)C 62a_100000183996_200000047210 [0,1,0,0,0,0|1,0,2]=4 3795 B16R0.302 CCCCC#CCCCSCC(=O)NC(C)C 62a_200000047210_100000183996 [0,1,0,0,0,0|1,0,2]=4 3796 B16R0.302 CCCCC#CCCOCCC(=O)NC(C)C 7a_100000037610_100000737564 [0,1,0,0,0,0|1,0,2]=4 3797 B16R0.302 CCCCC/C=C/COCCC(=O)NC(C)C 7a_100016258190_100000737564 [0,1,0,0,0,0|1,0,2]=4 3798 B16R0.302 CCCCC/C=C\CCOCC(=O)NC(C)C 34a_100016277358_100000183996 [0,1,0,0,0,0|1,0,2]=4 3799 B16R0.302 CCCCC/C=C\CCOCC(=O)NC(C)C 7a_100016277358_100000183996 [0,1,0,0,0,0|1,0,2]=4 3800 B16R0.302 CCCCCC#CCCOCC(=O)NC(C)C 34a_200000042877_100000183996 [0,1,0,0,0,0|1,0,2]=4 3801 B16R0.302 CCCCCC#CCCOCC(=O)NC(C)C 7a_200000042877_100000183996 [0,1,0,0,0,0|1,0,2]=4 3802 B16R0.302 CCCCCC#CCOCCC(=O)NC(C)C 7a_200000033628_100000737564 [0,1,0,0,0,0|1,0,2]=4 3803 B16R0.302 CCCCCC#CCSCCC(=O)NC(C)C 62a_100000737564_100009816472 [0,1,0,0,0,0|1,0,2]=4 3804 B16R0.302 CCCCCC#CCSCCC(=O)NC(C)C 62a_100009816472_100000737564 [0,1,0,0,0,0|1,0,2]=4 3805 B16R0.302 CCCCCC/C=C/COCC(=O)NC(C)C 34a_200016276170_100000183996 [0,1,0,0,0,0|1,0,2]=4 3806 B16R0.302 CCCCCC/C=C/COCC(=O)NC(C)C 7a_200016276170_100000183996 [0,1,0,0,0,0|1,0,2]=4 3807 B16R0.302 CCCCCCC#CCOCC(=O)NC(C)C 34a_200000037284_100000183996 [0,1,0,0,0,0|1,0,2]=4 3808 B16R0.302 CCCCCCC#CCOCC(=O)NC(C)C 7a_200000037284_100000183996 [0,1,0,0,0,0|1,0,2]=4 3809 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)C 1458a_200015352897_100000210624 [0,1,0,0,0,0|1,0,2]=4 3810 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)O 1458a_200015352897_100011218427 [0,1,0,0,0,0|1,0,2]=4 3811 B16R0.302 CCCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015352897 [0,1,0,0,0,0|0,0,2]=3 3812 B16R0.302 CCCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015352897 [0,1,0,0,0,0|0,0,2]=3 3813 B16R0.302 CCCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015352897 [0,1,0,0,0,0|0,0,2]=3 3814 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011215454 [0,1,0,0,0,0|1,0,1]=3 3815 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215454 [0,1,0,0,0,0|1,0,1]=3 3816 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011215454 [0,1,0,0,0,0|1,0,1]=3 3817 B16R0.302 CCCCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215454 [0,1,0,0,0,0|2,0,1]=4 3818 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [0,1,0,0,0,0|2,0,1]=4 3819 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [0,1,0,0,0,0|2,0,1]=4 3820 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [0,1,0,0,0,0|2,0,1]=4 3821 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215454 [0,1,0,0,0,0|1,0,0]=2 3822 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210736_100000210624 [0,1,0,0,0,0|1,0,0]=2 3823 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,1,0,0,0,0|1,0,0]=2 3824 B16R0.302 CCCCCCCCCCCC(=O)CC(F)F 1458a_100000210736_100011934356 [0,1,0,0,0,0|2,0,0]=3 3825 B16R0.302 CCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100011215454 [0,1,0,0,0,0|2,0,0]=3 3826 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,1,0,0,0,0|1,0,0]=2 3827 B16R0.302 CCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210736_100000761209 [0,1,0,0,0,0|3,0,0]=4 3828 B16R0.302 CCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215454 [0,1,0,0,0,0|2,0,0]=3 3829 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210736 [0,1,0,0,0,0|0,0,0]=1 3830 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210736 [0,1,0,0,0,0|0,0,0]=1 3831 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210736 [0,1,0,0,0,0|0,0,0]=1 3832 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 34a_100011217895_100000210206 [0,1,0,0,0,0|2,0,1]=4 3833 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 7a_100011217895_100000210206 [0,1,0,0,0,0|2,0,1]=4 3834 B16R0.302 CCCCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011215454 [0,1,0,0,0,0|3,0,0]=4 3835 B16R0.302 CCCCCCCCCCCN(C)CC(C)C 269982a_100000747067_100011215454 [0,1,0,0,0,0|3,0,0]=4 3836 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011215454 [0,1,0,0,0,0|3,0,0]=4 3837 B16R0.302 CCCCCCCCCCCN(C)CC(C)O 269982a_100000227577_100011215454 [0,1,0,0,0,0|3,0,0]=4 3838 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C 11a_100000684558_100000211388 [0,1,0,0,0,0|2,0,1]=4 3839 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C 1626a_100000684558_100000211388 [0,1,0,0,0,0|2,0,1]=4 3840 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)C 240690a_100000684558_100000211388 [0,1,0,0,0,0|2,0,1]=4 3841 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)Cl 11a_100000684558_200042562850 [0,1,0,0,0,0|2,0,1]=4 3842 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)Cl 1626a_100000684558_200042562850 [0,1,0,0,0,0|2,0,1]=4 3843 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)Cl 240690a_100000684558_200042562850 [0,1,0,0,0,0|2,0,1]=4 3844 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)I 11a_100000684558_100025716642 [0,1,0,0,0,0|2,0,1]=4 3845 B16R0.302 CCCCCCCCCCNC(=O)C=C(C)I 1626a_100000684558_100025716642 [0,1,0,0,0,0|2,0,1]=4 3846 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 11a_100000684558_100000210554 [0,1,0,0,0,0|2,0,0]=3 3847 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 1626a_100000684558_100000210554 [0,1,0,0,0,0|2,0,0]=3 3848 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 240690a_100000684558_100000210554 [0,1,0,0,0,0|2,0,0]=3 3849 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 527a_100000684558_100000210554 [0,1,0,0,0,0|2,0,0]=3 3850 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 11a_100000684558_100000750896 [0,1,0,0,0,0|3,0,0]=4 3851 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 240690a_100000684558_100000750896 [0,1,0,0,0,0|3,0,0]=4 3852 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 527a_100000684558_100000750896 [0,1,0,0,0,0|3,0,0]=4 3853 B16R0.302 CCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000684558_100011933948 [0,1,0,0,0,0|2,0,0]=3 3854 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 11a_100000684558_200159257847 [0,1,0,0,0,0|3,0,0]=4 3855 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 1626a_100000684558_200159257847 [0,1,0,0,0,0|3,0,0]=4 3856 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 240690a_100000684558_200159257847 [0,1,0,0,0,0|3,0,0]=4 3857 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 527a_100000684558_200159257847 [0,1,0,0,0,0|3,0,0]=4 3858 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 2708a_100000684558_100138425928 [0,1,0,0,0,0|1,0,0]=2 3859 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000684558 [0,1,0,0,0,0|1,0,0]=2 3860 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000684558 [0,1,0,0,0,0|1,0,0]=2 3861 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 512a_100000684558_100138425928 [0,1,0,0,0,0|1,0,0]=2 3862 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000684558 [0,1,0,0,0,0|1,0,0]=2 3863 B16R0.302 CCCCCCCCCCOC(=O)CC(=O)C 1458a_100000070787_100000210668 [0,1,0,0,0,0|2,0,1]=4 3864 B16R0.302 CCCCCCCCCCOC(=O)CN(C)C 2230a_100102631434_100000210668 [0,1,0,0,0,0|3,0,0]=4 3865 B16R0.302 CCCCCCCCCCOC(=O)CN(C)C 269982a_100102631434_100000210668 [0,1,0,0,0,0|3,0,0]=4 3866 B16R0.302 CCCCCCCCCNCC(=O)NC(=O)N 2230a_100000212291_100000182717 [0,1,0,0,0,0|2,0,1]=4 3867 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011214924 [0,1,0,0,0,0|1,0,0]=2 3868 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 2230a_100000212291_100000183996 [0,1,0,0,0,0|1,0,0]=2 3869 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 34a_100000212291_100000183996 [0,1,0,0,0,0|1,0,0]=2 3870 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 2230a_100000212291_100011215430 [0,1,0,0,0,0|2,0,0]=3 3871 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 34a_100000212291_100011215430 [0,1,0,0,0,0|2,0,0]=3 3872 B16R0.302 CCCCCCCCCOCC(=O)NC(=O)C 7a_100000210712_100000183797 [0,1,0,0,0,0|1,0,1]=3 3873 B16R0.302 CCCCCCCCCOCC(=O)NC(=O)N 7a_100000210712_100000182717 [0,1,0,0,0,0|2,0,1]=4 3874 B16R0.302 CCCCCCCCCOCC(=O)NC(C)C 34a_100000210712_100000183996 [0,1,0,0,0,0|1,0,0]=2 3875 B16R0.302 CCCCCCCCCOCC(=O)NC(C)C 7a_100000210712_100000183996 [0,1,0,0,0,0|1,0,0]=2 3876 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 34a_100000210712_100011215430 [0,1,0,0,0,0|2,0,0]=3 3877 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 7a_100000210712_100011215430 [0,1,0,0,0,0|2,0,0]=3 3878 B16R0.302 CCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210670 [0,1,0,0,0,0|1,0,0]=2 3879 B16R0.302 CCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210670 [0,1,0,0,0,0|2,0,0]=3 3880 B16R0.302 CCCCCCCCNCCC(=O)NC(=O)N 2230a_100000229939_100000237605 [0,1,0,0,0,0|2,0,1]=4 3881 B16R0.302 CCCCCCCCNCCC(=O)NC(C)C 2230a_100000229939_100000737564 [0,1,0,0,0,0|1,0,0]=2 3882 B16R0.302 CCCCCCCCNCCC(=O)OC(C)C 2230a_100000229939_100000760027 [0,1,0,0,0,0|2,0,0]=3 3883 B16R0.302 CCCCCCCCOCCC(=O)NC(=O)N 7a_100000210232_100000237605 [0,1,0,0,0,0|2,0,1]=4 3884 B16R0.302 CCCCCCCCOCCC(=O)NC(C)C 7a_100000210232_100000737564 [0,1,0,0,0,0|1,0,0]=2 3885 B16R0.302 CCCCCCCCOCCC(=O)OC(C)C 7a_100000210232_100000760027 [0,1,0,0,0,0|2,0,0]=3 3886 B16R0.302 CCCCCCCCSCCC(=O)NC(=O)N 62a_100000210759_100000237605 [0,1,0,0,0,0|2,0,1]=4 3887 B16R0.302 CCCCCCCCSCCC(=O)NC(C)C 62a_100000210759_100000737564 [0,1,0,0,0,0|1,0,0]=2 3888 B16R0.302 CCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210317 [0,1,0,0,0,0|1,0,0]=2 3889 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000210759_100000760027 [0,1,0,0,0,0|2,0,0]=3 3890 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210317 [0,1,0,0,0,0|2,0,0]=3 3891 B16R0.302 CCCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210317 [0,1,0,0,0,0|3,0,0]=4 3892 B16R0.302 CCCCCCCCSCOC(=O)OC(C)C 62a_100000210759_100000003507 [0,1,0,0,0,0|3,0,0]=4 3893 B16R0.302 CCCCCCOCCOCC(=O)NC(=O)C 7a_100000691444_100000183797 [0,1,0,0,0,0|2,0,1]=4 3894 B16R0.302 CCCCCCOCCOCC(=O)NC(C)C 34a_100000691444_100000183996 [0,1,0,0,0,0|2,0,0]=3 3895 B16R0.302 CCCCCCOCCOCC(=O)NC(C)C 7a_100000691444_100000183996 [0,1,0,0,0,0|2,0,0]=3 3896 B16R0.302 CCCCCCOCCOCC(=O)OC(C)C 34a_100000691444_100011215430 [0,1,0,0,0,0|3,0,0]=4 3897 B16R0.302 CCCCCCOCCOCC(=O)OC(C)C 7a_100000691444_100011215430 [0,1,0,0,0,0|3,0,0]=4 3898 B16R0.302 CCCCCNCCCCCC(=O)OC(C)C 2230a_100000209983_200010986244 [0,1,0,0,0,0|2,0,0]=3 3899 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 34a_100000210253_200010986244 [0,1,0,0,0,0|2,0,0]=3 3900 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 7a_100000210253_200010986244 [0,1,0,0,0,0|2,0,0]=3 3901 B16R0.302 CCCCCOCCOCCC(=O)NC(C)C 7a_100011215259_100000737564 [0,1,0,0,0,0|2,0,0]=3 3902 B16R0.302 CCCCCOCCOCCC(=O)OC(C)C 7a_100011215259_100000760027 [0,1,0,0,0,0|3,0,0]=4 3903 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_100000210326_200010986244 [0,1,0,0,0,0|2,0,0]=3 3904 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210326 [0,1,0,0,0,0|2,0,0]=3 3905 B16R0.302 CCCCNCCCCOCC(=O)NC(C)C 34a_200011216965_100000183996 [0,1,0,0,0,0|2,0,0]=3 3906 B16R0.302 CCCCNCCCCOCC(=O)OC(C)C 34a_200011216965_100011215430 [0,1,0,0,0,0|3,0,0]=4 3907 B16R0.302 CCCCOCCCCOCC(=O)NC(=O)C 7a_200000760531_100000183797 [0,1,0,0,0,0|2,0,1]=4 3908 B16R0.302 CCCCOCCCCOCC(=O)NC(C)C 34a_200000760531_100000183996 [0,1,0,0,0,0|2,0,0]=3 3909 B16R0.302 CCCCOCCCCOCC(=O)NC(C)C 7a_200000760531_100000183996 [0,1,0,0,0,0|2,0,0]=3 3910 B16R0.302 CCCCOCCCCOCC(=O)OC(C)C 34a_200000760531_100011215430 [0,1,0,0,0,0|3,0,0]=4 3911 B16R0.302 CCCCOCCCCOCC(=O)OC(C)C 7a_200000760531_100011215430 [0,1,0,0,0,0|3,0,0]=4 3912 B16R0.302 CCCCOCCCNCCC(=O)NC(C)C 2230a_200000211371_100000737564 [0,1,0,0,0,0|2,0,0]=3 3913 B16R0.302 CCCCOCCCNCCC(=O)OC(C)C 2230a_200000211371_100000760027 [0,1,0,0,0,0|3,0,0]=4 3914 B16R0.302 CCCCOCCCOCCC(=O)NC(C)C 7a_200011215613_100000737564 [0,1,0,0,0,0|2,0,0]=3 3915 B16R0.302 CCCCOCCCOCCC(=O)OC(C)C 7a_200011215613_100000760027 [0,1,0,0,0,0|3,0,0]=4 3916 B16R0.302 CCCOCCOCCNCC(=O)NC(C)C 2230a_200011904461_100000183996 [0,1,0,0,0,0|3,0,0]=4 3917 B16R0.302 CCCOCCOCCNCC(=O)NC(C)C 34a_200011904461_100000183996 [0,1,0,0,0,0|3,0,0]=4 3918 B16R0.302 CCOCCNCCCCCC(=O)OC(C)C 2230a_102516460346_200010986244 [0,1,0,0,0,0|3,0,0]=4 3919 B16R0.302 CCOCCNCCCCCC(=O)OC(C)C 34a_102516460346_200010986244 [0,1,0,0,0,0|3,0,0]=4 3920 B16R0.302 CCOCCOCCCCCC(=O)OC(C)C 34a_100000210136_200010986244 [0,1,0,0,0,0|3,0,0]=4 3921 B16R0.302 CCOCCOCCCCCC(=O)OC(C)C 7a_100000210136_200010986244 [0,1,0,0,0,0|3,0,0]=4 3922 B16R0.302 CCOCCOCCNCCC(=O)NC(C)C 2230a_100102712874_100000737564 [0,1,0,0,0,0|3,0,0]=4 3923 B16R0.302 CCOCCOCCOCCC(=O)NC(C)C 7a_100000210240_100000737564 [0,1,0,0,0,0|3,0,0]=4 3924 B16R0.302 CCOCCOCCSCCC(=O)NC(C)C 62a_100000737564_100011211534 [0,1,0,0,0,0|3,0,0]=4 3925 B16R0.302 CCOCCOCCSCCC(=O)NC(C)C 62a_100011211534_100000737564 [0,1,0,0,0,0|3,0,0]=4 3926 B16R0.302 CCOCCSCCCCCC(=O)OC(C)C 62a_100000210147_200010986244 [0,1,0,0,0,0|3,0,0]=4 3927 B16R0.302 CCOCCSCCCCCC(=O)OC(C)C 62a_200010986244_100011215890 [0,1,0,0,0,0|3,0,0]=4 3928 B16R0.302 CCSCCNCCCCCC(=O)OC(C)C 2230a_100000106463_200010986244 [0,1,0,0,0,0|3,0,0]=4 3929 B16R0.302 CCSCCOCCCCCC(=O)OC(C)C 34a_100000212035_200010986244 [0,1,0,0,0,0|3,0,0]=4 3930 B16R0.302 CCSCCOCCCCCC(=O)OC(C)C 7a_100000212035_200010986244 [0,1,0,0,0,0|3,0,0]=4 3931 B16R0.302 CCSCCSCCCCCC(=O)OC(C)C 62a_100000757381_200010986244 [0,1,0,0,0,0|3,0,0]=4 3932 B16R0.302 CCSCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000757381 [0,1,0,0,0,0|3,0,0]=4 3933 B16R0.302 CN(C)CC(=O)CCCCCCCCCCO 1458a_100000750896_100009813290 [0,1,0,0,0,0|3,0,0]=4 3934 B16R0.302 CNCCCOCCCCCC(=O)OC(C)C 34a_100000213112_200010986244 [0,1,0,0,0,0|3,0,0]=4 3935 B16R0.302 COCCCCCCOCCC(=O)NC(C)C 7a_200012092642_100000737564 [0,1,0,0,0,0|2,0,0]=3 3936 B16R0.302 COCCCCCCOCCC(=O)OC(C)C 7a_200012092642_100000760027 [0,1,0,0,0,0|3,0,0]=4 3937 B16R0.302 COCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100011998445 [0,1,0,0,0,0|2,0,0]=3 3938 B16R0.302 COCCCCCCSCCC(=O)NC(C)C 62a_100011998445_100000737564 [0,1,0,0,0,0|2,0,0]=3 3939 B16R0.302 COCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100011998445 [0,1,0,0,0,0|3,0,0]=4 3940 B16R0.302 COCCCCCCSCCC(=O)OC(C)C 62a_100011998445_100000760027 [0,1,0,0,0,0|3,0,0]=4 3941 B16R0.302 COCCCNCCCCCC(=O)OC(C)C 34a_100150723488_200010986244 [0,1,0,0,0,0|3,0,0]=4 3942 B16R0.302 COCCCOCCCCCC(=O)OC(C)C 34a_100000740835_200010986244 [0,1,0,0,0,0|3,0,0]=4 3943 B16R0.302 COCCCOCCCOCC(=O)NC(C)C 34a_200011215475_100000183996 [0,1,0,0,0,0|3,0,0]=4 3944 B16R0.302 COCCCOCCCOCC(=O)NC(C)C 7a_200011215475_100000183996 [0,1,0,0,0,0|3,0,0]=4 3945 B16R0.302 COCCCSCCCCCC(=O)OC(C)C 62a_100000709357_200010986244 [0,1,0,0,0,0|3,0,0]=4 3946 B16R0.302 COCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000709357 [0,1,0,0,0,0|3,0,0]=4 3947 B16R0.302 COCCOCCCNCCC(=O)NC(C)C 2230a_100000206027_100000737564 [0,1,0,0,0,0|3,0,0]=4 3948 B16R0.302 COCCOCCCSCCC(=O)NC(C)C 62a_100000737564_100011216529 [0,1,0,0,0,0|3,0,0]=4 3949 B16R0.302 COCCOCCCSCCC(=O)NC(C)C 62a_100011216529_100000737564 [0,1,0,0,0,0|3,0,0]=4 3950 B16R0.302 CSCCCNCCCCCC(=O)OC(C)C 2230a_100000749238_200010986244 [0,1,0,0,0,0|3,0,0]=4 3951 B16R0.302 CSCCCOCCCCCC(=O)OC(C)C 34a_100000690336_200010986244 [0,1,0,0,0,0|3,0,0]=4 3952 B16R0.302 CSCCCOCCCCCC(=O)OC(C)C 7a_100000690336_200010986244 [0,1,0,0,0,0|3,0,0]=4 3953 B16R0.302 C[C@@H](O)CC(=O)CCCCCCCCCCO 1458a_100011933948_100009813290 [0,1,0,0,0,0|2,0,0]=3 3954 B16R0.302 C[C@@H](O)CC(=O)NCCCCCCCCCO 240690a_100000078944_100011933948 [0,1,0,0,0,0|3,0,0]=4 3955 B16R0.302 C[S+](C)CC(=O)CCCCCCCCCCO 1458a_200159257847_100009813290 [0,1,0,0,0,0|3,0,0]=4 3956 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000753159 [0,1,0,0,0,0|1,0,1]=3 3957 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000692101_100011215454 [0,1,0,0,0,0|1,0,1]=3 3958 B16R0.661 C#CCCC(=O)CCCCCCCCCCO 1458a_100000692101_100009813290 [0,1,0,0,0,0|2,0,1]=4 3959 B16R0.661 C#CCCC(=O)CCOCCCCCCCC 34a_100011064465_100000210759 [0,1,0,0,0,0|2,0,1]=4 3960 B16R0.661 C#CCCC(=O)CCOCCCCCCCC 7a_100011064465_100000210759 [0,1,0,0,0,0|2,0,1]=4 3961 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 11a_100000684558_100000692101 [0,1,0,0,0,0|2,0,1]=4 3962 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000692101 [0,1,0,0,0,0|2,0,1]=4 3963 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000692101 [0,1,0,0,0,0|2,0,1]=4 3964 B16R0.661 C#CCCC(=O)NCCCCCCCCCC 527a_100000684558_100000692101 [0,1,0,0,0,0|2,0,1]=4 3965 B16R0.661 C#CCCCCCCCNCC(=O)NCCC 2230a_100000174927_100153394163 [0,1,0,0,0,0|1,0,2]=4 3966 B16R0.661 C#CCCCCCCCNCC(=O)NCCF 2230a_100000725713_100153394163 [0,1,0,0,0,0|1,0,2]=4 3967 B16R0.661 C#CCCCCCCCOCC(=O)NCCC 34a_100000054614_100000183358 [0,1,0,0,0,0|1,0,2]=4 3968 B16R0.661 C#CCCCCCCCOCC(=O)NCCC 7a_100000054614_100000183358 [0,1,0,0,0,0|1,0,2]=4 3969 B16R0.661 C#CCCCCCCCSCC(=O)NCCC 62a_100000183358_100153394163 [0,1,0,0,0,0|1,0,2]=4 3970 B16R0.661 C#CCCCCCCCSCC(=O)NCCC 62a_100153394163_100000183358 [0,1,0,0,0,0|1,0,2]=4 3971 B16R0.661 C#CCCCCCOCCCC(=O)NCCC 7a_100000766912_100011194427 [0,1,0,0,0,0|1,0,2]=4 3972 B16R0.661 C#CCCCCCSCCCC(=O)NCCC 62a_100011194427_100012094781 [0,1,0,0,0,0|1,0,2]=4 3973 B16R0.661 C#CCCCCCSCCCC(=O)NCCC 62a_100012094781_100011194427 [0,1,0,0,0,0|1,0,2]=4 3974 B16R0.661 C#CCNC(=O)C=CCCCCCCCCC 11a_100000212058_200015352897 [0,1,0,0,0,0|0,0,3]=4 3975 B16R0.661 C#CCNC(=O)C=CCCCCCCCCC 1626a_100000212058_200015352897 [0,1,0,0,0,0|0,0,3]=4 3976 B16R0.661 C#CCNC(=O)C=CCCCCCCCCC 240690a_100000212058_200015352897 [0,1,0,0,0,0|0,0,3]=4 3977 B16R0.661 C#CCNC(=O)CCCCCCCCCCC 11a_100000212058_100000210736 [0,1,0,0,0,0|0,0,1]=2 3978 B16R0.661 C#CCNC(=O)CCCCCCCCCCC 1626a_100000212058_100000210736 [0,1,0,0,0,0|0,0,1]=2 3979 B16R0.661 C#CCNC(=O)CCCCCCCCCCC 240690a_100000212058_100000210736 [0,1,0,0,0,0|0,0,1]=2 3980 B16R0.661 C#CCNC(=O)CCCCCCCCCCO 240690a_100000212058_200000016029 [0,1,0,0,0,0|1,0,1]=3 3981 B16R0.661 C#CCNC(=O)CNCCCCCCCCC 2230a_100000747989_100011214924 [0,1,0,0,0,0|1,0,1]=3 3982 B16R0.661 C#CCNC(=O)CNCCCCCCCCC 34a_100000747989_100011214924 [0,1,0,0,0,0|1,0,1]=3 3983 B16R0.661 C#CCNC(=O)CNCCCCCCCCO 2230a_100000747989_100000033203 [0,1,0,0,0,0|2,0,1]=4 3984 B16R0.661 C#CCNC(=O)CNCCCCCCCCO 34a_100000747989_100000033203 [0,1,0,0,0,0|2,0,1]=4 3985 B16R0.661 C#CCNC(=O)NCCCCCCCCCC 2708a_100000212058_100000684558 [0,1,0,0,0,0|1,0,1]=3 3986 B16R0.661 C#CCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000212058 [0,1,0,0,0,0|1,0,1]=3 3987 B16R0.661 C#CCNC(=O)NCCCCCCCCCC 273464a_100000212058_100000684558 [0,1,0,0,0,0|1,0,1]=3 3988 B16R0.661 C#CCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000212058 [0,1,0,0,0,0|1,0,1]=3 3989 B16R0.661 C#CCNC(=O)NCCCCCCCCCC 512a_100000212058_100000684558 [0,1,0,0,0,0|1,0,1]=3 3990 B16R0.661 C#CCNC(=O)NCCCCCCCCCC 512a_100000684558_100000212058 [0,1,0,0,0,0|1,0,1]=3 3991 B16R0.661 C#CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000212058 [0,1,0,0,0,0|2,0,1]=4 3992 B16R0.661 C#CCNC(=O)NCCCCCCCCCO 2708a_100000212058_100000078944 [0,1,0,0,0,0|2,0,1]=4 3993 B16R0.661 C#CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000212058 [0,1,0,0,0,0|2,0,1]=4 3994 B16R0.661 C#CCNC(=O)NCCCCCCCCCO 273464a_100000212058_100000078944 [0,1,0,0,0,0|2,0,1]=4 3995 B16R0.661 C#CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000212058 [0,1,0,0,0,0|2,0,1]=4 3996 B16R0.661 C#CCNC(=O)NCCCCCCCCCO 512a_100000212058_100000078944 [0,1,0,0,0,0|2,0,1]=4 3997 B16R0.661 C/C=C/CC(=O)CCCCCCCCCCC 1458a_100000210736_100102629194 [0,1,0,0,0,0|1,0,1]=3 3998 B16R0.661 C=C(CNCCCCCCCCC)OCOC 34a_100000212291_100000042856 [0,1,0,0,0,0|3,0,0]=4 3999 B16R0.661 C=C(COCCCCCCCCC)OCOC 34a_100000210712_100000042856 [0,1,0,0,0,0|3,0,0]=4 4000 B16R0.661 C=C(CSCCCCCCCCC)OCOC 62a_100000042856_100000210670 [0,1,0,0,0,0|3,0,0]=4 4001 B16R0.661 C=CC=CC(=O)CCCCCCCCCCC 1458a_100016291481_100011215454 [0,1,0,0,0,0|1,0,2]=4 4002 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [0,1,0,0,0,0|1,0,1]=3 4003 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [0,1,0,0,0,0|1,0,1]=3 4004 B16R0.661 C=CCCC(=O)CCCCCCCCCCO 1458a_100000749702_100009813290 [0,1,0,0,0,0|2,0,1]=4 4005 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 11a_100000684558_100000749702 [0,1,0,0,0,0|2,0,1]=4 4006 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000749702 [0,1,0,0,0,0|2,0,1]=4 4007 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000749702 [0,1,0,0,0,0|2,0,1]=4 4008 B16R0.661 C=CCCC(=O)NCCCCCCCCCC 527a_100000684558_100000749702 [0,1,0,0,0,0|2,0,1]=4 4009 B16R0.661 C=CCCCCCCCCCC(=O)C#CCC 1458a_100011827653_100009814027 [0,1,0,0,0,0|1,0,2]=4 4010 B16R0.661 C=CCCCCCCCCCC(=O)C=CCC 1458a_100000212282_100009814027 [0,1,0,0,0,0|1,0,2]=4 4011 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [0,1,0,0,0,0|1,0,2]=4 4012 B16R0.661 C=CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100009814027 [0,1,0,0,0,0|1,0,2]=4 4013 B16R0.661 C=CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100009814027 [0,1,0,0,0,0|1,0,2]=4 4014 B16R0.661 C=CCCCCCCCCCC(=O)COCC 1458a_100000211967_100009814027 [0,1,0,0,0,0|1,0,2]=4 4015 B16R0.661 C=CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100009814027 [0,1,0,0,0,0|1,0,2]=4 4016 B16R0.661 C=CCCCCCCCNCC(=O)NCCC 2230a_100000174927_100012355270 [0,1,0,0,0,0|1,0,2]=4 4017 B16R0.661 C=CCCCCCCCNCC(=O)NCCF 2230a_100000725713_100012355270 [0,1,0,0,0,0|1,0,2]=4 4018 B16R0.661 C=CCCCCCCCOCC(=O)NCCC 34a_100000730831_100000183358 [0,1,0,0,0,0|1,0,2]=4 4019 B16R0.661 C=CCCCCCCCOCC(=O)NCCC 7a_100000730831_100000183358 [0,1,0,0,0,0|1,0,2]=4 4020 B16R0.661 C=CCCCCCCCSCC(=O)NCCC 62a_100000183358_100012355270 [0,1,0,0,0,0|1,0,2]=4 4021 B16R0.661 C=CCCCCCCCSCC(=O)NCCC 62a_100012355270_100000183358 [0,1,0,0,0,0|1,0,2]=4 4022 B16R0.661 C=CCCCCCOCCCC(=O)NCCC 7a_100011216702_100011194427 [0,1,0,0,0,0|1,0,2]=4 4023 B16R0.661 C=CCCCCCSCCCC(=O)NCCC 62a_100000700193_100011194427 [0,1,0,0,0,0|1,0,2]=4 4024 B16R0.661 C=CCCCCCSCCCC(=O)NCCC 62a_100011194427_100000700193 [0,1,0,0,0,0|1,0,2]=4 4025 B16R0.661 C=CCNC(=O)C=CCCCCCCCCC 1626a_100020586998_200015352897 [0,1,0,0,0,0|0,0,3]=4 4026 B16R0.661 C=CCNC(=O)C=CCCCCCCCCC 240690a_100020586998_200015352897 [0,1,0,0,0,0|0,0,3]=4 4027 B16R0.661 C=CCNC(=O)CCCCCCCCCCC 1626a_100020586998_100000210736 [0,1,0,0,0,0|0,0,1]=2 4028 B16R0.661 C=CCNC(=O)CCCCCCCCCCC 240690a_100020586998_100000210736 [0,1,0,0,0,0|0,0,1]=2 4029 B16R0.661 C=CCNC(=O)CCCCCCCCCCO 240690a_100020586998_200000016029 [0,1,0,0,0,0|1,0,1]=3 4030 B16R0.661 C=CCNC(=O)CCNCCCCCCCC 2230a_100000229939_100011222895 [0,1,0,0,0,0|1,0,1]=3 4031 B16R0.661 C=CCNC(=O)CCNCCCCCCCO 2230a_100011996573_100011222895 [0,1,0,0,0,0|2,0,1]=4 4032 B16R0.661 C=CCNC(=O)CCNCCCOCCCC 2230a_200000211371_100011222895 [0,1,0,0,0,0|2,0,1]=4 4033 B16R0.661 C=CCNC(=O)CCOCCCCCCCBr 7a_100000760002_100011222895 [0,1,0,0,0,0|2,0,1]=4 4034 B16R0.661 C=CCNC(=O)CCOCCCCCCCC 7a_100000210232_100011222895 [0,1,0,0,0,0|1,0,1]=3 4035 B16R0.661 C=CCNC(=O)CCOCCCCCCOC 7a_200012092642_100011222895 [0,1,0,0,0,0|2,0,1]=4 4036 B16R0.661 C=CCNC(=O)CCOCCCOCCCC 7a_200011215613_100011222895 [0,1,0,0,0,0|2,0,1]=4 4037 B16R0.661 C=CCNC(=O)CCOCCOCCCCC 7a_100011215259_100011222895 [0,1,0,0,0,0|2,0,1]=4 4038 B16R0.661 C=CCNC(=O)CCSCCCCCCCC 62a_100000210759_100011222895 [0,1,0,0,0,0|1,0,1]=3 4039 B16R0.661 C=CCNC(=O)CCSCCCCCCCC 62a_100011222895_100000210317 [0,1,0,0,0,0|1,0,1]=3 4040 B16R0.661 C=CCNC(=O)CCSCCCCCCCO 62a_100000760002_100011222895 [0,1,0,0,0,0|2,0,1]=4 4041 B16R0.661 C=CCNC(=O)CCSCCCCCCCO 62a_100011222895_100000760002 [0,1,0,0,0,0|2,0,1]=4 4042 B16R0.661 C=CCNC(=O)CCSCCCCCCOC 62a_100011222895_100011998445 [0,1,0,0,0,0|2,0,1]=4 4043 B16R0.661 C=CCNC(=O)CCSCCCCCCOC 62a_100011998445_100011222895 [0,1,0,0,0,0|2,0,1]=4 4044 B16R0.661 C=CCNC(=O)CNCCCCCCCCC 2230a_100000212291_100000183597 [0,1,0,0,0,0|1,0,1]=3 4045 B16R0.661 C=CCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183597 [0,1,0,0,0,0|2,0,1]=4 4046 B16R0.661 C=CCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183597 [0,1,0,0,0,0|2,0,1]=4 4047 B16R0.661 C=CCNC(=O)COCCCCCCCCC 7a_100000210712_100000183597 [0,1,0,0,0,0|1,0,1]=3 4048 B16R0.661 C=CCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183597 [0,1,0,0,0,0|2,0,1]=4 4049 B16R0.661 C=CCNC(=O)COCCCCOCCCC 7a_200000760531_100000183597 [0,1,0,0,0,0|2,0,1]=4 4050 B16R0.661 C=CCNC(=O)COCCOCCCCCC 7a_100000691444_100000183597 [0,1,0,0,0,0|2,0,1]=4 4051 B16R0.661 C=CCNC(=O)CSCCCCCCCCC 62a_100000183597_100000210670 [0,1,0,0,0,0|1,0,1]=3 4052 B16R0.661 C=CCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183597 [0,1,0,0,0,0|2,0,1]=4 4053 B16R0.661 C=CCNC(=O)CSCCCCCCCCO 62a_100000183597_100000033203 [0,1,0,0,0,0|2,0,1]=4 4054 B16R0.661 C=CCNC(=O)NCCCCCCCCCC 2708a_100000684558_100020586998 [0,1,0,0,0,0|1,0,1]=3 4055 B16R0.661 C=CCNC(=O)NCCCCCCCCCC 273464a_100000684558_100020586998 [0,1,0,0,0,0|1,0,1]=3 4056 B16R0.661 C=CCNC(=O)NCCCCCCCCCC 273464a_100020586998_100000684558 [0,1,0,0,0,0|1,0,1]=3 4057 B16R0.661 C=CCNC(=O)NCCCCCCCCCC 512a_100000684558_100020586998 [0,1,0,0,0,0|1,0,1]=3 4058 B16R0.661 C=CCNC(=O)NCCCCCCCCCC 512a_100020586998_100000684558 [0,1,0,0,0,0|1,0,1]=3 4059 B16R0.661 C=CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020586998 [0,1,0,0,0,0|2,0,1]=4 4060 B16R0.661 C=CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020586998 [0,1,0,0,0,0|2,0,1]=4 4061 B16R0.661 C=CCNC(=O)NCCCCCCCCCO 273464a_100020586998_100000078944 [0,1,0,0,0,0|2,0,1]=4 4062 B16R0.661 C=CCNC(=O)NCCCCCCCCCO 512a_100000078944_100020586998 [0,1,0,0,0,0|2,0,1]=4 4063 B16R0.661 C=CCNC(=O)NCCCCCCCCCO 512a_100020586998_100000078944 [0,1,0,0,0,0|2,0,1]=4 4064 B16R0.661 C=CCNC(C)CCCCCCCCCCC 270004a_100020586998_100011216755 [0,1,0,0,0,0|1,0,2]=4 4065 B16R0.661 C=CCOC(=O)CNCCCCCCCCC 2230a_100000212291_100000033060 [0,1,0,0,0,0|2,0,1]=4 4066 B16R0.661 C=CCOC(=O)CNCCCCCCCCC 34a_100000212291_100000033060 [0,1,0,0,0,0|2,0,1]=4 4067 B16R0.661 C=CCOC(=O)COCCCCCCCCC 34a_100000210712_100000033060 [0,1,0,0,0,0|2,0,1]=4 4068 B16R0.661 C=CCOC(=O)COCCCCCCCCC 7a_100000210712_100000033060 [0,1,0,0,0,0|2,0,1]=4 4069 B16R0.661 C=CCOC(=O)CSCCCCCCCCC 62a_100000033060_100000210670 [0,1,0,0,0,0|2,0,1]=4 4070 B16R0.661 CC#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000748600 [0,1,0,0,0,0|1,0,1]=3 4071 B16R0.661 CC/C=C/CCCOCCCC(=O)NCCC 7a_100016287902_100011194427 [0,1,0,0,0,0|1,0,2]=4 4072 B16R0.661 CC/C=C\CCCCCNCC(=O)NCCC 269862a_100000174927_100016288537 [0,1,0,0,0,0|1,0,2]=4 4073 B16R0.661 CC/C=C\CCCCCOCC(=O)NCCC 34a_100016268722_100000183358 [0,1,0,0,0,0|1,0,2]=4 4074 B16R0.661 CC/C=C\CCCCCOCC(=O)NCCC 7a_100016268722_100000183358 [0,1,0,0,0,0|1,0,2]=4 4075 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000070051 [0,1,0,0,0,0|1,0,1]=3 4076 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100121576822_100011215454 [0,1,0,0,0,0|1,0,1]=3 4077 B16R0.661 CC=CCC(=O)CCCCCCCCCCO 1458a_100121576822_100009813290 [0,1,0,0,0,0|2,0,1]=4 4078 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 11a_100000684558_100121576822 [0,1,0,0,0,0|2,0,1]=4 4079 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 1626a_100000684558_100121576822 [0,1,0,0,0,0|2,0,1]=4 4080 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 240690a_100000684558_100121576822 [0,1,0,0,0,0|2,0,1]=4 4081 B16R0.661 CC=CCC(=O)NCCCCCCCCCC 527a_100000684558_100121576822 [0,1,0,0,0,0|2,0,1]=4 4082 B16R0.661 CC=NNC(=O)CCCCCCCCCCC 4a_200011219152_200000210099 [0,1,0,0,0,0|0,0,1]=2 4083 B16R0.661 CCC#CC(=O)CCCCCCCCCCC 1458a_100011827653_100011215454 [0,1,0,0,0,0|1,0,0]=2 4084 B16R0.661 CCC#CC(=O)CCCCCCCCCCO 1458a_100011827653_100009813290 [0,1,0,0,0,0|2,0,0]=3 4085 B16R0.661 CCC=CC(=O)CCCCCCCCCCC 1458a_100000212282_100011215454 [0,1,0,0,0,0|1,0,0]=2 4086 B16R0.661 CCC=CC(=O)CCCCCCCCCCO 1458a_100000212282_100009813290 [0,1,0,0,0,0|2,0,0]=3 4087 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212282 [0,1,0,0,0,0|2,0,0]=3 4088 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212282 [0,1,0,0,0,0|2,0,0]=3 4089 B16R0.661 CCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212282 [0,1,0,0,0,0|2,0,0]=3 4090 B16R0.661 CCC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000212282 [0,1,0,0,0,0|3,0,0]=4 4091 B16R0.661 CCCC#CCCOCCCC(=O)NCCC 7a_100000042726_100011194427 [0,1,0,0,0,0|1,0,2]=4 4092 B16R0.661 CCCC/C=C/COCCCC(=O)NCCC 7a_200016272032_100011194427 [0,1,0,0,0,0|1,0,2]=4 4093 B16R0.661 CCCCC#CCCCNCC(=O)NCCC 2230a_100000174927_200000047210 [0,1,0,0,0,0|1,0,2]=4 4094 B16R0.661 CCCCC#CCCCNCC(=O)NCCF 2230a_100000725713_200000047210 [0,1,0,0,0,0|1,0,2]=4 4095 B16R0.661 CCCCC#CCCCSCC(=O)NCCC 62a_100000183358_200000047210 [0,1,0,0,0,0|1,0,2]=4 4096 B16R0.661 CCCCC#CCCCSCC(=O)NCCC 62a_200000047210_100000183358 [0,1,0,0,0,0|1,0,2]=4 4097 B16R0.661 CCCCC#CCOCCCC(=O)NCCC 7a_200000034558_100011194427 [0,1,0,0,0,0|1,0,2]=4 4098 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [0,1,0,0,0,0|2,0,0]=3 4099 B16R0.661 CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210183 [0,1,0,0,0,0|3,0,0]=4 4100 B16R0.661 CCCCC/C=C\CCOCC(=O)NCCC 34a_100016277358_100000183358 [0,1,0,0,0,0|1,0,2]=4 4101 B16R0.661 CCCCC/C=C\CCOCC(=O)NCCC 7a_100016277358_100000183358 [0,1,0,0,0,0|1,0,2]=4 4102 B16R0.661 CCCCCC#CCCOCC(=O)NCCC 34a_200000042877_100000183358 [0,1,0,0,0,0|1,0,2]=4 4103 B16R0.661 CCCCCC#CCCOCC(=O)NCCC 7a_200000042877_100000183358 [0,1,0,0,0,0|1,0,2]=4 4104 B16R0.661 CCCCCC/C=C/COCC(=O)NCCC 34a_200016276170_100000183358 [0,1,0,0,0,0|1,0,2]=4 4105 B16R0.661 CCCCCC/C=C/COCC(=O)NCCC 7a_200016276170_100000183358 [0,1,0,0,0,0|1,0,2]=4 4106 B16R0.661 CCCCCCC#CCOCC(=O)NCCC 34a_200000037284_100000183358 [0,1,0,0,0,0|1,0,2]=4 4107 B16R0.661 CCCCCCC#CCOCC(=O)NCCC 7a_200000037284_100000183358 [0,1,0,0,0,0|1,0,2]=4 4108 B16R0.661 CCCCCCCCCC=CC(=O)CCCC 1458a_200015352897_100000210211 [0,1,0,0,0,0|1,0,2]=4 4109 B16R0.661 CCCCCCCCCC=CC(=O)CCCF 1458a_200015352897_100011934791 [0,1,0,0,0,0|1,0,2]=4 4110 B16R0.661 CCCCCCCCCC=CC(=O)CCCO 1458a_200015352897_100011215043 [0,1,0,0,0,0|1,0,2]=4 4111 B16R0.661 CCCCCCCCCC=CC(=O)CCOC 1458a_200015352897_100000233755 [0,1,0,0,0,0|1,0,2]=4 4112 B16R0.661 CCCCCCCCCC=CC(=O)CCSC 1458a_200015352897_100000751147 [0,1,0,0,0,0|1,0,2]=4 4113 B16R0.661 CCCCCCCCCC=CC(=O)NCC#N 1626a_100000734998_200015352897 [0,1,0,0,0,0|0,0,3]=4 4114 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 11a_100020643023_200015352897 [0,1,0,0,0,0|0,0,2]=3 4115 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015352897 [0,1,0,0,0,0|0,0,2]=3 4116 B16R0.661 CCCCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015352897 [0,1,0,0,0,0|0,0,2]=3 4117 B16R0.661 CCCCCCCCCC=CC(=O)NCCF 11a_100000724931_200015352897 [0,1,0,0,0,0|0,0,2]=3 4118 B16R0.661 CCCCCCCCCC=CC(=O)NCCF 1626a_100000724931_200015352897 [0,1,0,0,0,0|0,0,2]=3 4119 B16R0.661 CCCCCCCCCC=CC(=O)NCCF 240690a_100000724931_200015352897 [0,1,0,0,0,0|0,0,2]=3 4120 B16R0.661 CCCCCCCCCC=CC(=O)NCCO 240690a_100000210304_200015352897 [0,1,0,0,0,0|0,0,2]=3 4121 B16R0.661 CCCCCCCCCC=CC(=O)NNCC 22a_100000756455_200015352897 [0,1,0,0,0,0|0,0,2]=3 4122 B16R0.661 CCCCCCCCCCCC(=NNCC)C 4a_100000756455_100011216755 [0,1,0,0,0,0|1,0,0]=2 4123 B16R0.661 CCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100011215454 [0,1,0,0,0,0|1,0,1]=3 4124 B16R0.661 CCCCCCCCCCCC(=O)C=COC 1458a_100016268678_100011215454 [0,1,0,0,0,0|1,0,1]=3 4125 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100000210736_100011215226 [0,1,0,0,0,0|1,0,1]=3 4126 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011215454 [0,1,0,0,0,0|1,0,1]=3 4127 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [0,1,0,0,0,0|1,0,0]=2 4128 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [0,1,0,0,0,0|1,0,0]=2 4129 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [0,1,0,0,0,0|1,0,0]=2 4130 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [0,1,0,0,0,0|1,0,0]=2 4131 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000210736_100000233755 [0,1,0,0,0,0|1,0,0]=2 4132 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011215454 [0,1,0,0,0,0|1,0,0]=2 4133 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011215454 [0,1,0,0,0,0|1,0,0]=2 4134 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000210736_100000751147 [0,1,0,0,0,0|1,0,0]=2 4135 B16R0.661 CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011215454 [0,1,0,0,0,0|1,0,0]=2 4136 B16R0.661 CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011215454 [0,1,0,0,0,0|1,0,0]=2 4137 B16R0.661 CCCCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210736 [0,1,0,0,0,0|0,0,1]=2 4138 B16R0.661 CCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210736 [0,1,0,0,0,0|0,0,0]=1 4139 B16R0.661 CCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210736 [0,1,0,0,0,0|0,0,0]=1 4140 B16R0.661 CCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210736 [0,1,0,0,0,0|0,0,0]=1 4141 B16R0.661 CCCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210736 [0,1,0,0,0,0|0,0,0]=1 4142 B16R0.661 CCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210736 [0,1,0,0,0,0|0,0,0]=1 4143 B16R0.661 CCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210736 [0,1,0,0,0,0|0,0,0]=1 4144 B16R0.661 CCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210736 [0,1,0,0,0,0|0,0,0]=1 4145 B16R0.661 CCCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210736 [0,1,0,0,0,0|0,0,0]=1 4146 B16R0.661 CCCCCCCCCCCC(=O)OCNC 2230a_106832991635_100020644155 [0,1,0,0,0,0|1,0,0]=2 4147 B16R0.661 CCCCCCCCCCCC(=O)OCNC 34a_100102657272_100020644155 [0,1,0,0,0,0|1,0,0]=2 4148 B16R0.661 CCCCCCCCCCCC(=O)OCNC 7a_106832991635_100020644155 [0,1,0,0,0,0|1,0,0]=2 4149 B16R0.661 CCCCCCCCCCCC(=O)OCOC 34a_100138415774_100020644155 [0,1,0,0,0,0|1,0,0]=2 4150 B16R0.661 CCCCCCCCCCCC(=O)OCSC 62a_200000210301_100020644155 [0,1,0,0,0,0|1,0,0]=2 4151 B16R0.661 CCCCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100020644155 [0,1,0,0,0,0|1,0,0]=2 4152 B16R0.661 CCCCCCCCCCCC(C)NCCC 270004a_100020643023_100011216755 [0,1,0,0,0,0|1,0,1]=3 4153 B16R0.661 CCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011216755 [0,1,0,0,0,0|1,0,1]=3 4154 B16R0.661 CCCCCCCCCCCC(C)OCCC 34a_100011217895_100000210303 [0,1,0,0,0,0|2,0,1]=4 4155 B16R0.661 CCCCCCCCCCCC(C)OCCC 7a_100011217895_100000210303 [0,1,0,0,0,0|2,0,1]=4 4156 B16R0.661 CCCCCCCCCCCC(C)OCCF 34a_100011217895_100011217306 [0,1,0,0,0,0|2,0,1]=4 4157 B16R0.661 CCCCCCCCCCCC(C)OCCF 7a_100011217895_100011217306 [0,1,0,0,0,0|2,0,1]=4 4158 B16R0.661 CCCCCCCCCCCC(C)OCCO 34a_100011217895_100000211926 [0,1,0,0,0,0|2,0,1]=4 4159 B16R0.661 CCCCCCCCCCCC(C)OCCO 7a_100011217895_100000211926 [0,1,0,0,0,0|2,0,1]=4 4160 B16R0.661 CCCCCCCCCCCC(C)OCSC 34a_100011217895_100011218213 [0,1,0,0,0,0|2,0,1]=4 4161 B16R0.661 CCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215454 [0,1,0,0,0,0|3,0,0]=4 4162 B16R0.661 CCCCCCCCCCCN(C)CCCC 269982a_100000207549_100011215454 [0,1,0,0,0,0|3,0,0]=4 4163 B16R0.661 CCCCCCCCCCCN(C)CCCO 2230a_100000213112_100011215454 [0,1,0,0,0,0|3,0,0]=4 4164 B16R0.661 CCCCCCCCCCCN(C)CCCO 269982a_100000213112_100011215454 [0,1,0,0,0,0|3,0,0]=4 4165 B16R0.661 CCCCCCCCCCCN(C)CCOC 2230a_100000743101_100011215454 [0,1,0,0,0,0|3,0,0]=4 4166 B16R0.661 CCCCCCCCCCCN(C)CCOC 269982a_100000743101_100011215454 [0,1,0,0,0,0|3,0,0]=4 4167 B16R0.661 CCCCCCCCCCCN(C)CCSC 2230a_100000686725_100011215454 [0,1,0,0,0,0|3,0,0]=4 4168 B16R0.661 CCCCCCCCCCCN(C)CCSC 269982a_100000686725_100011215454 [0,1,0,0,0,0|3,0,0]=4 4169 B16R0.661 CCCCCCCCCCNC(=O)C=COC 1626a_100000684558_100016268678 [0,1,0,0,0,0|2,0,1]=4 4170 B16R0.661 CCCCCCCCCCNC(=O)C=COC 240690a_100000684558_100016268678 [0,1,0,0,0,0|2,0,1]=4 4171 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 11a_100000684558_100011934036 [0,1,0,0,0,0|2,0,1]=4 4172 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 1626a_100000684558_100011934036 [0,1,0,0,0,0|2,0,1]=4 4173 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 240690a_100000684558_100011934036 [0,1,0,0,0,0|2,0,1]=4 4174 B16R0.661 CCCCCCCCCCNC(=O)CCC#N 527a_100000684558_100011934036 [0,1,0,0,0,0|2,0,1]=4 4175 B16R0.661 CCCCCCCCCCNC(=O)CCCC 11a_100000684558_100000210183 [0,1,0,0,0,0|2,0,0]=3 4176 B16R0.661 CCCCCCCCCCNC(=O)CCCC 1626a_100000684558_100000210183 [0,1,0,0,0,0|2,0,0]=3 4177 B16R0.661 CCCCCCCCCCNC(=O)CCCC 240690a_100000684558_100000210183 [0,1,0,0,0,0|2,0,0]=3 4178 B16R0.661 CCCCCCCCCCNC(=O)CCCC 527a_100000684558_100000210183 [0,1,0,0,0,0|2,0,0]=3 4179 B16R0.661 CCCCCCCCCCNC(=O)CCOC 11a_100000684558_100000749529 [0,1,0,0,0,0|2,0,0]=3 4180 B16R0.661 CCCCCCCCCCNC(=O)CCOC 1626a_100000684558_100000749529 [0,1,0,0,0,0|2,0,0]=3 4181 B16R0.661 CCCCCCCCCCNC(=O)CCOC 240690a_100000684558_100000749529 [0,1,0,0,0,0|2,0,0]=3 4182 B16R0.661 CCCCCCCCCCNC(=O)CCOC 527a_100000684558_100000749529 [0,1,0,0,0,0|2,0,0]=3 4183 B16R0.661 CCCCCCCCCCNC(=O)CCSC 11a_100000684558_100000174002 [0,1,0,0,0,0|2,0,0]=3 4184 B16R0.661 CCCCCCCCCCNC(=O)CCSC 1626a_100000684558_100000174002 [0,1,0,0,0,0|2,0,0]=3 4185 B16R0.661 CCCCCCCCCCNC(=O)CCSC 240690a_100000684558_100000174002 [0,1,0,0,0,0|2,0,0]=3 4186 B16R0.661 CCCCCCCCCCNC(=O)CCSC 527a_100000684558_100000174002 [0,1,0,0,0,0|2,0,0]=3 4187 B16R0.661 CCCCCCCCCCNC(=O)COCC 11a_100000684558_100000211967 [0,1,0,0,0,0|2,0,0]=3 4188 B16R0.661 CCCCCCCCCCNC(=O)COCC 1626a_100000684558_100000211967 [0,1,0,0,0,0|2,0,0]=3 4189 B16R0.661 CCCCCCCCCCNC(=O)COCC 240690a_100000684558_100000211967 [0,1,0,0,0,0|2,0,0]=3 4190 B16R0.661 CCCCCCCCCCNC(=O)COCC 527a_100000684558_100000211967 [0,1,0,0,0,0|2,0,0]=3 4191 B16R0.661 CCCCCCCCCCNC(=O)CSCC 11a_100000684558_100000230394 [0,1,0,0,0,0|2,0,0]=3 4192 B16R0.661 CCCCCCCCCCNC(=O)CSCC 1626a_100000684558_100000230394 [0,1,0,0,0,0|2,0,0]=3 4193 B16R0.661 CCCCCCCCCCNC(=O)CSCC 240690a_100000684558_100000230394 [0,1,0,0,0,0|2,0,0]=3 4194 B16R0.661 CCCCCCCCCCNC(=O)CSCC 527a_100000684558_100000230394 [0,1,0,0,0,0|2,0,0]=3 4195 B16R0.661 CCCCCCCCCCNC(=O)NCC#N 2708a_100000734998_100000684558 [0,1,0,0,0,0|1,0,1]=3 4196 B16R0.661 CCCCCCCCCCNC(=O)NCC#N 273464a_100000684558_100000734998 [0,1,0,0,0,0|1,0,1]=3 4197 B16R0.661 CCCCCCCCCCNC(=O)NCC#N 273464a_100000734998_100000684558 [0,1,0,0,0,0|1,0,1]=3 4198 B16R0.661 CCCCCCCCCCNC(=O)NCC#N 512a_100000684558_100000734998 [0,1,0,0,0,0|1,0,1]=3 4199 B16R0.661 CCCCCCCCCCNC(=O)NCC#N 512a_100000734998_100000684558 [0,1,0,0,0,0|1,0,1]=3 4200 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100000684558_100020643023 [0,1,0,0,0,0|1,0,0]=2 4201 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000684558 [0,1,0,0,0,0|1,0,0]=2 4202 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100000684558_100020643023 [0,1,0,0,0,0|1,0,0]=2 4203 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000684558 [0,1,0,0,0,0|1,0,0]=2 4204 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100000684558_100020643023 [0,1,0,0,0,0|1,0,0]=2 4205 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100020643023_100000684558 [0,1,0,0,0,0|1,0,0]=2 4206 B16R0.661 CCCCCCCCCCNC(=O)NCCF 2708a_100000684558_100000724931 [0,1,0,0,0,0|1,0,0]=2 4207 B16R0.661 CCCCCCCCCCNC(=O)NCCF 273464a_100000684558_100000724931 [0,1,0,0,0,0|1,0,0]=2 4208 B16R0.661 CCCCCCCCCCNC(=O)NCCF 273464a_100000724931_100000684558 [0,1,0,0,0,0|1,0,0]=2 4209 B16R0.661 CCCCCCCCCCNC(=O)NCCF 512a_100000684558_100000724931 [0,1,0,0,0,0|1,0,0]=2 4210 B16R0.661 CCCCCCCCCCNC(=O)NCCO 2708a_100000684558_100000210304 [0,1,0,0,0,0|1,0,0]=2 4211 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000684558 [0,1,0,0,0,0|1,0,0]=2 4212 B16R0.661 CCCCCCCCCCNC(=O)NCCO 273464a_100000684558_100000210304 [0,1,0,0,0,0|1,0,0]=2 4213 B16R0.661 CCCCCCCCCCNC(=O)NCCO 512a_100000684558_100000210304 [0,1,0,0,0,0|1,0,0]=2 4214 B16R0.661 CCCCCCCCCCNC(=O)NNCC 273464a_100000684558_100000756455 [0,1,0,0,0,0|1,0,0]=2 4215 B16R0.661 CCCCCCCCCCNC(=O)NNCC 512a_100000684558_100000756455 [0,1,0,0,0,0|1,0,0]=2 4216 B16R0.661 CCCCCCCCCCNC(=O)NNCC 512a_100000756455_100000684558 [0,1,0,0,0,0|1,0,0]=2 4217 B16R0.661 CCCCCCCCCCOC(=O)CNCC 2230a_100015525214_100000210668 [0,1,0,0,0,0|1,0,0]=2 4218 B16R0.661 CCCCCCCCCCOC(=O)COCC 34a_100121572206_100000210668 [0,1,0,0,0,0|2,0,0]=3 4219 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000210202_100000680656 [0,1,0,0,0,0|2,0,0]=3 4220 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000680656_100000210202 [0,1,0,0,0,0|2,0,0]=3 4221 B16R0.661 CCCCCCCCCCOC(=O)CSCF 62a_100000680656_100015361967 [0,1,0,0,0,0|3,0,0]=4 4222 B16R0.661 CCCCCCCCCCOC(=O)CSCF 62a_100015361967_100000680656 [0,1,0,0,0,0|3,0,0]=4 4223 B16R0.661 CCCCCCCCCNCC(=O)NCC#N 2230a_100000212291_100000736037 [0,1,0,0,0,0|1,0,1]=3 4224 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100011214924 [0,1,0,0,0,0|1,0,0]=2 4225 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000212291_100000183358 [0,1,0,0,0,0|1,0,0]=2 4226 B16R0.661 CCCCCCCCCNCC(=O)NCCC 34a_100000212291_100000183358 [0,1,0,0,0,0|1,0,0]=2 4227 B16R0.661 CCCCCCCCCNCC(=O)NCCF 2230a_100000725713_100011214924 [0,1,0,0,0,0|1,0,0]=2 4228 B16R0.661 CCCCCCCCCNCC(=O)OCCC 2230a_100000212291_200011215008 [0,1,0,0,0,0|2,0,0]=3 4229 B16R0.661 CCCCCCCCCNCC(=O)OCCC 34a_100000212291_200011215008 [0,1,0,0,0,0|2,0,0]=3 4230 B16R0.661 CCCCCCCCCOCC(=O)NCC#N 7a_100000210712_100000736037 [0,1,0,0,0,0|1,0,1]=3 4231 B16R0.661 CCCCCCCCCOCC(=O)NCCC 34a_100000210712_100000183358 [0,1,0,0,0,0|1,0,0]=2 4232 B16R0.661 CCCCCCCCCOCC(=O)NCCC 7a_100000210712_100000183358 [0,1,0,0,0,0|1,0,0]=2 4233 B16R0.661 CCCCCCCCCOCC(=O)OCCC 34a_100000210712_200011215008 [0,1,0,0,0,0|2,0,0]=3 4234 B16R0.661 CCCCCCCCCOCC(=O)OCCC 7a_100000210712_200011215008 [0,1,0,0,0,0|2,0,0]=3 4235 B16R0.661 CCCCCCCCCSCC(=O)NCC#N 62a_100000736037_100000210670 [0,1,0,0,0,0|1,0,1]=3 4236 B16R0.661 CCCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210670 [0,1,0,0,0,0|1,0,0]=2 4237 B16R0.661 CCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210670 [0,1,0,0,0,0|2,0,0]=3 4238 B16R0.661 CCCCCCCCNCOC(=O)OCCC 34a_100000229939_200000139673 [0,1,0,0,0,0|3,0,0]=4 4239 B16R0.661 CCCCCCCCOCOC(=O)OCCC 34a_100000210232_200000139673 [0,1,0,0,0,0|3,0,0]=4 4240 B16R0.661 CCCCCCCCOCOC(=O)OCCC 7a_100000210232_200000139673 [0,1,0,0,0,0|3,0,0]=4 4241 B16R0.661 CCCCCCCCSCOC(=O)OCCC 62a_100000210759_200000139673 [0,1,0,0,0,0|3,0,0]=4 4242 B16R0.661 CCCCCCCNCCCC(=O)NCCC 2230a_100000229938_100011194427 [0,1,0,0,0,0|1,0,0]=2 4243 B16R0.661 CCCCCCCOCCCC(=O)NCCC 7a_100000210272_100011194427 [0,1,0,0,0,0|1,0,0]=2 4244 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100000210614_100011194427 [0,1,0,0,0,0|1,0,0]=2 4245 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210316 [0,1,0,0,0,0|1,0,0]=2 4246 B16R0.661 CCCCCCOCCOCC(=O)NCC#N 7a_100000691444_100000736037 [0,1,0,0,0,0|2,0,1]=4 4247 B16R0.661 CCCCCCOCCOCC(=O)NCCC 34a_100000691444_100000183358 [0,1,0,0,0,0|2,0,0]=3 4248 B16R0.661 CCCCCCOCCOCC(=O)NCCC 7a_100000691444_100000183358 [0,1,0,0,0,0|2,0,0]=3 4249 B16R0.661 CCCCCCOCCOCC(=O)OCCC 34a_100000691444_200011215008 [0,1,0,0,0,0|3,0,0]=4 4250 B16R0.661 CCCCCCOCCOCC(=O)OCCC 7a_100000691444_200011215008 [0,1,0,0,0,0|3,0,0]=4 4251 B16R0.661 CCCCNCCCCOCC(=O)NCCC 34a_200011216965_100000183358 [0,1,0,0,0,0|2,0,0]=3 4252 B16R0.661 CCCCNCCCCOCC(=O)OCCC 34a_200011216965_200011215008 [0,1,0,0,0,0|3,0,0]=4 4253 B16R0.661 CCCCOCCCCOCC(=O)NCC#N 7a_200000760531_100000736037 [0,1,0,0,0,0|2,0,1]=4 4254 B16R0.661 CCCCOCCCCOCC(=O)NCCC 34a_200000760531_100000183358 [0,1,0,0,0,0|2,0,0]=3 4255 B16R0.661 CCCCOCCCCOCC(=O)NCCC 7a_200000760531_100000183358 [0,1,0,0,0,0|2,0,0]=3 4256 B16R0.661 CCCCOCCCCOCC(=O)OCCC 34a_200000760531_200011215008 [0,1,0,0,0,0|3,0,0]=4 4257 B16R0.661 CCCCOCCCCOCC(=O)OCCC 7a_200000760531_200011215008 [0,1,0,0,0,0|3,0,0]=4 4258 B16R0.661 CCCCOCCOCCCC(=O)NCCC 7a_100000210238_100011194427 [0,1,0,0,0,0|2,0,0]=3 4259 B16R0.661 CCCCOCCSCCCC(=O)NCCC 62a_100000743108_100011194427 [0,1,0,0,0,0|2,0,0]=3 4260 B16R0.661 CCCCOCCSCCCC(=O)NCCC 62a_100011194427_100000743108 [0,1,0,0,0,0|2,0,0]=3 4261 B16R0.661 CCCCSCCNCCCC(=O)NCCC 2230a_100025743550_100011194427 [0,1,0,0,0,0|2,0,0]=3 4262 B16R0.661 CCCCSCCOCCCC(=O)NCCC 7a_200000230436_100011194427 [0,1,0,0,0,0|2,0,0]=3 4263 B16R0.661 CCCNC(=O)CCCCCCCCCCO 240690a_100020643023_200000016029 [0,1,0,0,0,0|1,0,0]=2 4264 B16R0.661 CCCNC(=O)CCCNCCCCCCO 2230a_100000686447_100011194427 [0,1,0,0,0,0|2,0,0]=3 4265 B16R0.661 CCCNC(=O)CCCNCCCCCOC 2230a_100000747528_100011194427 [0,1,0,0,0,0|2,0,0]=3 4266 B16R0.661 CCCNC(=O)CCCNCCCOCCC 2230a_100011217757_100011194427 [0,1,0,0,0,0|2,0,0]=3 4267 B16R0.661 CCCNC(=O)CCCNCCOCCOC 2230a_100000745349_100011194427 [0,1,0,0,0,0|3,0,0]=4 4268 B16R0.661 CCCNC(=O)CCCOCCCCCCBr 7a_100011215345_100011194427 [0,1,0,0,0,0|2,0,0]=3 4269 B16R0.661 CCCNC(=O)CCCOCCCCCCCl 7a_100000766143_100011194427 [0,1,0,0,0,0|2,0,0]=3 4270 B16R0.661 CCCNC(=O)CCCOCCCCCCF 7a_100000732779_100011194427 [0,1,0,0,0,0|2,0,0]=3 4271 B16R0.661 CCCNC(=O)CCCOCCOCCOC 7a_100011215163_100011194427 [0,1,0,0,0,0|3,0,0]=4 4272 B16R0.661 CCCNC(=O)CCCSCCCCCC#N 62a_100009813376_100011194427 [0,1,0,0,0,0|2,0,1]=4 4273 B16R0.661 CCCNC(=O)CCCSCCCCCC#N 62a_100011194427_100009813376 [0,1,0,0,0,0|2,0,1]=4 4274 B16R0.661 CCCNC(=O)CCCSCCCCCC=O 62a_100000139337_100011194427 [0,1,0,0,0,0|2,0,1]=4 4275 B16R0.661 CCCNC(=O)CCCSCCCCCC=O 62a_100011194427_100000139337 [0,1,0,0,0,0|2,0,1]=4 4276 B16R0.661 CCCNC(=O)CCCSCCCCCCF 62a_100011194427_100015922095 [0,1,0,0,0,0|2,0,0]=3 4277 B16R0.661 CCCNC(=O)CCCSCCCCCCF 62a_100015922095_100011194427 [0,1,0,0,0,0|2,0,0]=3 4278 B16R0.661 CCCNC(=O)CCCSCCCCCCO 62a_100000766143_100011194427 [0,1,0,0,0,0|2,0,0]=3 4279 B16R0.661 CCCNC(=O)CCCSCCCCCCO 62a_100011194427_100000766143 [0,1,0,0,0,0|2,0,0]=3 4280 B16R0.661 CCCNC(=O)CCCSCCOCCOC 62a_100000695917_100011194427 [0,1,0,0,0,0|3,0,0]=4 4281 B16R0.661 CCCNC(=O)CCCSCCOCCOC 62a_100011194427_100000695917 [0,1,0,0,0,0|3,0,0]=4 4282 B16R0.661 CCCNC(=O)CNCCCCCCCCO 2230a_100000174927_100000033203 [0,1,0,0,0,0|2,0,0]=3 4283 B16R0.661 CCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183358 [0,1,0,0,0,0|2,0,0]=3 4284 B16R0.661 CCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183358 [0,1,0,0,0,0|2,0,0]=3 4285 B16R0.661 CCCNC(=O)CNCCOCCOCCC 2230a_200011904461_100000183358 [0,1,0,0,0,0|3,0,0]=4 4286 B16R0.661 CCCNC(=O)CNCCOCCOCCC 34a_200011904461_100000183358 [0,1,0,0,0,0|3,0,0]=4 4287 B16R0.661 CCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183358 [0,1,0,0,0,0|2,0,0]=3 4288 B16R0.661 CCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183358 [0,1,0,0,0,0|2,0,0]=3 4289 B16R0.661 CCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183358 [0,1,0,0,0,0|2,0,0]=3 4290 B16R0.661 CCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183358 [0,1,0,0,0,0|2,0,0]=3 4291 B16R0.661 CCCNC(=O)COCCCCCCCCN 34a_102515433106_100000183358 [0,1,0,0,0,0|2,0,0]=3 4292 B16R0.661 CCCNC(=O)COCCCCCNCCN 34a_103619048469_100000183358 [0,1,0,0,0,0|3,0,0]=4 4293 B16R0.661 CCCNC(=O)COCCCOCCCOC 34a_200011215475_100000183358 [0,1,0,0,0,0|3,0,0]=4 4294 B16R0.661 CCCNC(=O)COCCCOCCCOC 7a_200011215475_100000183358 [0,1,0,0,0,0|3,0,0]=4 4295 B16R0.661 CCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183358 [0,1,0,0,0,0|2,0,0]=3 4296 B16R0.661 CCCNC(=O)CSCCCCCCCCO 62a_100000183358_100000033203 [0,1,0,0,0,0|2,0,0]=3 4297 B16R0.661 CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020643023 [0,1,0,0,0,0|2,0,0]=3 4298 B16R0.661 CCCNC(=O)NCCCCCCCCCO 2708a_100020643023_100000078944 [0,1,0,0,0,0|2,0,0]=3 4299 B16R0.661 CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020643023 [0,1,0,0,0,0|2,0,0]=3 4300 B16R0.661 CCCNC(=O)NCCCCCCCCCO 273464a_100020643023_100000078944 [0,1,0,0,0,0|2,0,0]=3 4301 B16R0.661 CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100020643023 [0,1,0,0,0,0|2,0,0]=3 4302 B16R0.661 CCCNC(=O)NCCCCCCCCCO 512a_100020643023_100000078944 [0,1,0,0,0,0|2,0,0]=3 4303 B16R0.661 CCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200011215008 [0,1,0,0,0,0|3,0,0]=4 4304 B16R0.661 CCCOC(=O)CNCCCCCCCCO 34a_102515433106_200011215008 [0,1,0,0,0,0|3,0,0]=4 4305 B16R0.661 CCCOC(=O)COCCCCCCCCBr 34a_100009813846_200011215008 [0,1,0,0,0,0|3,0,0]=4 4306 B16R0.661 CCCOC(=O)COCCCCCCCCBr 7a_100009813846_200011215008 [0,1,0,0,0,0|3,0,0]=4 4307 B16R0.661 CCCOC(=O)COCCCCCCCCCl 34a_100000033203_200011215008 [0,1,0,0,0,0|3,0,0]=4 4308 B16R0.661 CCCOC(=O)COCCCCCCCCCl 7a_100000033203_200011215008 [0,1,0,0,0,0|3,0,0]=4 4309 B16R0.661 CCCOC(=O)COCCCCCCCCN 34a_102515433106_200011215008 [0,1,0,0,0,0|3,0,0]=4 4310 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_100000033203_200011215008 [0,1,0,0,0,0|3,0,0]=4 4311 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_200011215008_100000033203 [0,1,0,0,0,0|3,0,0]=4 4312 B16R0.661 CCNNC(=O)CCCCCCCCCCO 22a_100000756455_200000016029 [0,1,0,0,0,0|1,0,0]=2 4313 B16R0.661 CCNNC(=O)NCCCCCCCCCO 273464a_100000078944_100000756455 [0,1,0,0,0,0|2,0,0]=3 4314 B16R0.661 CCNNC(=O)NCCCCCCCCCO 512a_100000078944_100000756455 [0,1,0,0,0,0|2,0,0]=3 4315 B16R0.661 CCNNC(=O)NCCCCCCCCCO 512a_100000756455_100000078944 [0,1,0,0,0,0|2,0,0]=3 4316 B16R0.661 CCOCC(=O)CCCCCCCCCCO 1458a_100000211967_100009813290 [0,1,0,0,0,0|2,0,0]=3 4317 B16R0.661 CCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211967 [0,1,0,0,0,0|3,0,0]=4 4318 B16R0.661 CCSCC(=O)CCCCCCCCCCO 1458a_100000230394_100009813290 [0,1,0,0,0,0|2,0,0]=3 4319 B16R0.661 CCSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000230394 [0,1,0,0,0,0|3,0,0]=4 4320 B16R0.661 COC=CC(=O)CCCCCCCCCCO 1458a_100016268678_100009813290 [0,1,0,0,0,0|2,0,1]=4 4321 B16R0.661 COCCC(=O)CCCCCCCCCCO 1458a_100000749529_100009813290 [0,1,0,0,0,0|2,0,0]=3 4322 B16R0.661 COCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000749529 [0,1,0,0,0,0|3,0,0]=4 4323 B16R0.661 CSCCC(=O)CCCCCCCCCCO 1458a_100000174002_100009813290 [0,1,0,0,0,0|2,0,0]=3 4324 B16R0.661 CSCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000174002 [0,1,0,0,0,0|3,0,0]=4 4325 B16R0.661 N#CCCC(=O)CCCCCCCCCCO 1458a_100011934036_100009813290 [0,1,0,0,0,0|2,0,1]=4 4326 B16R0.661 N#CCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000736037 [0,1,0,0,0,0|2,0,1]=4 4327 B16R0.661 N#CCNC(=O)COCCCCCCCCBr 7a_100009813846_100000736037 [0,1,0,0,0,0|2,0,1]=4 4328 B16R0.661 N#CCNC(=O)COCCCCCCCCCl 7a_100000033203_100000736037 [0,1,0,0,0,0|2,0,1]=4 4329 B16R0.661 N#CCNC(=O)CSCCCCCCCCO 62a_100000033203_100000736037 [0,1,0,0,0,0|2,0,1]=4 4330 B16R0.661 N#CCNC(=O)CSCCCCCCCCO 62a_100000736037_100000033203 [0,1,0,0,0,0|2,0,1]=4 4331 B16R0.661 N#CCNC(=O)NCCCCCCCCCO 2708a_100000734998_100000078944 [0,1,0,0,0,0|2,0,1]=4 4332 B16R0.661 N#CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000734998 [0,1,0,0,0,0|2,0,1]=4 4333 B16R0.661 N#CCNC(=O)NCCCCCCCCCO 273464a_100000734998_100000078944 [0,1,0,0,0,0|2,0,1]=4 4334 B16R0.661 N#CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000734998 [0,1,0,0,0,0|2,0,1]=4 4335 B16R0.661 N#CCNC(=O)NCCCCCCCCCO 512a_100000734998_100000078944 [0,1,0,0,0,0|2,0,1]=4 4336 B16R0.661 O=C(C#CCO)CCCCCCCCCCO 1458a_100000049017_100009813290 [0,1,0,0,0,0|2,0,1]=4 4337 B16R0.661 O=C(CCCCCCCCCCO)NCCF 240690a_100000724931_200000016029 [0,1,0,0,0,0|1,0,0]=2 4338 B16R0.661 O=C(CCCCCCCCCCO)NCCO 240690a_100000210304_200000016029 [0,1,0,0,0,0|1,0,0]=2 4339 B16R0.661 O=C(CNCCCCCCCCO)NCCF 2230a_100000725713_100000033203 [0,1,0,0,0,0|2,0,0]=3 4340 B16R0.661 O=C(NCCF)NCCCCCCCCCO 2708a_100000078944_100000724931 [0,1,0,0,0,0|2,0,0]=3 4341 B16R0.661 O=C(NCCF)NCCCCCCCCCO 273464a_100000078944_100000724931 [0,1,0,0,0,0|2,0,0]=3 4342 B16R0.661 O=C(NCCF)NCCCCCCCCCO 273464a_100000724931_100000078944 [0,1,0,0,0,0|2,0,0]=3 4343 B16R0.661 O=C(NCCF)NCCCCCCCCCO 512a_100000078944_100000724931 [0,1,0,0,0,0|2,0,0]=3 4344 B16R0.661 O=C(NCCO)NCCCCCCCCCO 2708a_100000078944_100000210304 [0,1,0,0,0,0|2,0,0]=3 4345 B16R0.661 O=C(NCCO)NCCCCCCCCCO 273464a_100000078944_100000210304 [0,1,0,0,0,0|2,0,0]=3 4346 B16R0.661 O=C(NCCO)NCCCCCCCCCO 273464a_100000210304_100000078944 [0,1,0,0,0,0|2,0,0]=3 4347 B16R0.661 O=C(NCCO)NCCCCCCCCCO 512a_100000078944_100000210304 [0,1,0,0,0,0|2,0,0]=3 4348 B16R0.806 C#CC(O)CCCCCNCCC(=O)NCC 34a_100025743525_200010408556 [0,1,0,0,0,0|1,0,2]=4 4349 B16R0.806 C#CC(O)CCCCCSCCC(=O)NCC 62a_100000737597_200010408556 [0,1,0,0,0,0|1,0,2]=4 4350 B16R0.806 C#CC(O)CCCCCSCCC(=O)NCC 62a_200010408556_100000737597 [0,1,0,0,0,0|1,0,2]=4 4351 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210303 [0,1,0,0,0,0|2,0,1]=4 4352 B16R0.806 CCCC(=O)CCCCCCCCC(=O)OC 1458a_100000211992_100010282707 [0,1,0,0,0,0|2,0,1]=4 4353 B16R0.806 CCNC(=O)CCCCCCCCC(=O)OC 11a_100015525214_100000036616 [0,1,0,0,0,0|1,0,1]=3 4354 B16R0.806 CCNC(=O)CCCCCCCCC(=O)OC 240690a_100015525214_100000036616 [0,1,0,0,0,0|1,0,1]=3 4355 B16R0.806 CCNC(=O)CCNCCCCCC(=O)OC 34a_100025743525_100009816466 [0,1,0,0,0,0|2,0,1]=4 4356 B16R0.806 CCNC(=O)CCOCCCCCC(=O)OC 7a_100000074720_100000737597 [0,1,0,0,0,0|2,0,1]=4 4357 B16R0.806 CCNC(=O)CCOCCCCCC(C)CC 7a_200000035636_100000737597 [0,1,0,0,0,0|1,0,0]=2 4358 B16R0.806 CCNC(=O)CCSCCCCCC(=O)OC 62a_100000737597_100009816466 [0,1,0,0,0,0|2,0,1]=4 4359 B16R0.806 CCNC(=O)CCSCCCCCC(=O)OC 62a_100009816466_100000737597 [0,1,0,0,0,0|2,0,1]=4 4360 B16R0.806 CCNC(=O)CNCCCCCCC(=O)OC 2230a_100016988866_100009815986 [0,1,0,0,0,0|2,0,1]=4 4361 B16R0.806 CCNC(=O)COCCCCCCC(=O)OC 34a_100009863599_100000183381 [0,1,0,0,0,0|2,0,1]=4 4362 B16R0.806 CCNC(=O)COCCCCCCC(=O)OC 7a_100009863599_100000183381 [0,1,0,0,0,0|2,0,1]=4 4363 B16R0.806 CCNC(=O)CSCCCCCCC(=O)OC 62a_100000183381_100009815986 [0,1,0,0,0,0|2,0,1]=4 4364 B16R0.806 CCNC(=O)CSCCCCCCC(=O)OC 62a_100009815986_100000183381 [0,1,0,0,0,0|2,0,1]=4 4365 B16R0.806 CCOC(=O)CCCCCCCCC(=O)CC 1458a_100000210414_100010175975 [0,1,0,0,0,0|1,0,1]=3 4366 B16R0.806 CCOC(=O)CCCCCCCCC(=O)CC 1458a_200000016031_100000210202 [0,1,0,0,0,0|1,0,1]=3 4367 B16R0.806 CCOC(=O)CCCCCCCCC(=O)CF 1458a_200000016031_100015361967 [0,1,0,0,0,0|2,0,1]=4 4368 B16R0.806 CCOC(=O)CCCCCCCCC(=O)CO 1458a_100000210174_100010175975 [0,1,0,0,0,0|2,0,1]=4 4369 B16R0.806 CCOC(=O)CCCCCCCCC(=O)NC 11a_106832991635_200000016031 [0,1,0,0,0,0|2,0,1]=4 4370 B16R0.806 CCOC(=O)CCCCCCCCC(=O)NC 1626a_100102657272_200000016031 [0,1,0,0,0,0|2,0,1]=4 4371 B16R0.806 CCOC(=O)CCCCCCCCC(=O)NC 240690a_100102657272_200000016031 [0,1,0,0,0,0|2,0,1]=4 4372 B16R0.806 CCOC(=O)CCCCCCCCC(=O)NC 527a_100102657272_200000016031 [0,1,0,0,0,0|2,0,1]=4 4373 B16R0.806 CCOC(=O)CCCCCCCCN(C)CC 2230a_100000225621_100010175975 [0,1,0,0,0,0|2,0,0]=3 4374 B16R0.806 CCOC(=O)CCCCCCCCN(C)CC 269982a_100000225621_100010175975 [0,1,0,0,0,0|2,0,0]=3 4375 B16R0.806 CCOC(=O)CCCCCCCNC(C)CC 2230a_100000209981_100009991516 [0,1,0,0,0,0|2,0,0]=3 4376 B16R0.806 CCOC(=O)CCCCCCCN[C@H](C)CO 2230a_100000737577_100009991516 [0,1,0,0,0,0|3,0,0]=4 4377 B16R0.806 CCOC(=O)CCCCCCCOC(C)CC 7a_100000210228_100009991516 [0,1,0,0,0,0|2,0,0]=3 4378 B16R0.806 CCOC(=O)CCCCCCCOC(C)CF 34a_100016041109_100009991516 [0,1,0,0,0,0|3,0,0]=4 4379 B16R0.806 CCOC(=O)CCCCCCCOC(C)CF 7a_100016041109_100009991516 [0,1,0,0,0,0|3,0,0]=4 4380 B16R0.806 CCOC(=O)CCCCCCCOC(C)CN 34a_100000210904_100009991516 [0,1,0,0,0,0|3,0,0]=4 4381 B16R0.806 CCOC(=O)CCCCCCCSC(C)CC 62a_100000758301_100009991516 [0,1,0,0,0,0|2,0,0]=3 4382 B16R0.806 CCOC(=O)CCCCCCCSC(C)CO 62a_100012180447_100009991516 [0,1,0,0,0,0|3,0,0]=4 4383 B16R0.806 CCOC(=O)CCCCCCCSC(C)OC 62a_100009879195_100009991516 [0,1,0,0,0,0|3,0,0]=4 4384 B16R0.806 CCOC(=O)CCCCCCCS[C@H](C)CO 62a_100016084084_100009991516 [0,1,0,0,0,0|3,0,0]=4 4385 B16R0.806 CCOC(=O)CCCCCCNCC(C)CC 2230a_100020588543_100009814379 [0,1,0,0,0,0|2,0,0]=3 4386 B16R0.806 CCOC(=O)CCCCCCNCC(C)CO 34a_100000744482_100009814379 [0,1,0,0,0,0|3,0,0]=4 4387 B16R0.806 CCOC(=O)CCCCCCNCC(O)CC 2230a_100011218483_100009814379 [0,1,0,0,0,0|2,0,0]=3 4388 B16R0.806 CCOC(=O)CCCCCCNC[C@@H](C)OC 2230a_100020591295_100009814379 [0,1,0,0,0,0|3,0,0]=4 4389 B16R0.806 CCOC(=O)CCCCCCNC[C@@H](F)CO 34a_100015665980_100009814379 [0,1,0,0,0,0|3,0,0]=4 4390 B16R0.806 CCOC(=O)CCCCCCNC[C@H](O)CO 2230a_100020644852_100009814379 [0,1,0,0,0,0|3,0,0]=4 4391 B16R0.806 CCOC(=O)CCCCCCOCC(=O)CC 34a_100000725409_100009814379 [0,1,0,0,0,0|2,0,1]=4 4392 B16R0.806 CCOC(=O)CCCCCCOCC(C)CN 34a_100000744482_100009814379 [0,1,0,0,0,0|3,0,0]=4 4393 B16R0.806 CCOC(=O)CCCCCCOCC(C)OC 34a_100000690652_100009814379 [0,1,0,0,0,0|3,0,0]=4 4394 B16R0.806 CCOC(=O)CCCCCCOCC(Cl)CCl 34a_100000033668_100009814379 [0,1,0,0,0,0|3,0,0]=4 4395 B16R0.806 CCOC(=O)CCCCCCOC[C@@H](C)CC 7a_100009816381_100009814379 [0,1,0,0,0,0|2,0,0]=3 4396 B16R0.806 CCOC(=O)CCCCCCOC[C@H](F)CN 34a_100015665980_100009814379 [0,1,0,0,0,0|3,0,0]=4 4397 B16R0.806 CCOC(=O)CCCCCCSCC(=O)CC 62a_100000747405_100009814379 [0,1,0,0,0,0|2,0,1]=4 4398 B16R0.806 CCOC(=O)CCCCCCSCC(C)CC 62a_100000748023_100009814379 [0,1,0,0,0,0|2,0,0]=3 4399 B16R0.806 CCOC(=O)CCCCCCSCC(O)CC 62a_100011218378_100009814379 [0,1,0,0,0,0|2,0,0]=3 4400 B16R0.806 CCOC(=O)CCCCCCSCC(O)CO 62a_100011219619_100009814379 [0,1,0,0,0,0|3,0,0]=4 4401 B16R0.806 CCOC(=O)CCCCCCSC[C@@H](C)CC 62a_100009816398_100009814379 [0,1,0,0,0,0|2,0,0]=3 4402 B16R0.806 CCOC(=O)CCCCCCSC[C@@H](C)CO 62a_100000059175_100009814379 [0,1,0,0,0,0|3,0,0]=4 4403 B16R0.806 CCOC(=O)CCCCCCSC[C@@H](O)CF 62a_100015614560_100009814379 [0,1,0,0,0,0|3,0,0]=4 4404 B16R0.806 CCOC(=O)CCCCCCSC[C@@H](O)CO 62a_100009815848_100009814379 [0,1,0,0,0,0|3,0,0]=4 4405 B16R0.806 CCOC(=O)CCCCCNCCC(C)CC 2230a_100020591266_100000755133 [0,1,0,0,0,0|2,0,0]=3 4406 B16R0.806 CCOC(=O)CCCCCNCCC(C)CO 2230a_106354213184_100000755133 [0,1,0,0,0,0|3,0,0]=4 4407 B16R0.806 CCOC(=O)CCCCCNCCC(C)CO 34a_106354213184_100000755133 [0,1,0,0,0,0|3,0,0]=4 4408 B16R0.806 CCOC(=O)CCCCCOCCC(C)CC 7a_100011215188_100000755133 [0,1,0,0,0,0|2,0,0]=3 4409 B16R0.806 CCOC(=O)CCCCCOCCC(C)OC 7a_100000764861_100000755133 [0,1,0,0,0,0|3,0,0]=4 4410 B16R0.806 CCOC(=O)CCCCOCCCC(C)CC 7a_100011216074_100000750268 [0,1,0,0,0,0|2,0,0]=3 4411 B16R0.806 CCOC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100000750268 [0,1,0,0,0,0|3,0,0]=4 4412 B16R0.806 CCOC(=O)CCCCSCCCN(C)CC 62a_100000750268_100015186262 [0,1,0,0,0,0|3,0,0]=4 4413 B16R0.806 CCOC(=O)CCOCCCCCC(C)CC 7a_200000035636_100011206558 [0,1,0,0,0,0|2,0,0]=3 4414 B16R0.806 CCOC(=O)COCCCNCCC(C)CC 2230a_100020591266_100009893628 [0,1,0,0,0,0|3,0,0]=4 4415 B16R0.806 CCOC(=O)COCCCOCCC(C)CC 7a_100011215188_100009893628 [0,1,0,0,0,0|3,0,0]=4 4416 B16R0.806 CCOC(=O)COCCOCCCC(C)CC 7a_100011216074_100000088970 [0,1,0,0,0,0|3,0,0]=4 4417 B16R0.1183 C#CCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100153394163 [0,1,0,0,0,0|1,0,2]=4 4418 B16R0.1183 C#CCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100153394163 [0,1,0,0,0,0|1,0,2]=4 4419 B16R0.1183 C#CCCCCCCCOC(C)C(=O)NCC 34a_100000054614_100000230173 [0,1,0,0,0,0|1,0,2]=4 4420 B16R0.1183 C#CCCCCCCCOC(C)C(=O)NCC 7a_100000054614_100000230173 [0,1,0,0,0,0|1,0,2]=4 4421 B16R0.1183 C#CCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100153394163 [0,1,0,0,0,0|1,0,2]=4 4422 B16R0.1183 C#CCCCCCCCSC(C)C(=O)NCC 62a_100153394163_100000230173 [0,1,0,0,0,0|1,0,2]=4 4423 B16R0.1183 C=C(CNCCCCCCCC)C(=O)OCC 34a_100000229939_100000755967 [0,1,0,0,0,0|2,0,1]=4 4424 B16R0.1183 C=C(COCCCCCCCC)C(=O)OCC 34a_100000210232_100000755967 [0,1,0,0,0,0|2,0,1]=4 4425 B16R0.1183 C=C(COCCCCCCCC)C(=O)OCC 7a_100000210232_100000755967 [0,1,0,0,0,0|2,0,1]=4 4426 B16R0.1183 C=C(CSCCCCCCCC)C(=O)OCC 62a_100000210759_100000755967 [0,1,0,0,0,0|2,0,1]=4 4427 B16R0.1183 C=C(CSCCCCCCCC)C(=O)OCC 62a_100000755967_100000210317 [0,1,0,0,0,0|2,0,1]=4 4428 B16R0.1183 C=CCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100011933949 [0,1,0,0,0,0|0,0,3]=4 4429 B16R0.1183 C=CCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100012355270 [0,1,0,0,0,0|1,0,2]=4 4430 B16R0.1183 C=CCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100012355270 [0,1,0,0,0,0|1,0,2]=4 4431 B16R0.1183 C=CCCCCCCCOC(C)C(=O)NCC 34a_100000730831_100000230173 [0,1,0,0,0,0|1,0,2]=4 4432 B16R0.1183 C=CCCCCCCCOC(C)C(=O)NCC 7a_100000730831_100000230173 [0,1,0,0,0,0|1,0,2]=4 4433 B16R0.1183 C=CCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100012355270 [0,1,0,0,0,0|1,0,2]=4 4434 B16R0.1183 C=CCCCCCCCSC(C)C(=O)NCC 62a_100012355270_100000230173 [0,1,0,0,0,0|1,0,2]=4 4435 B16R0.1183 CC/C=C(\C)/C(=O)CCCCCCCCCC 1458a_100016988807_100000210319 [0,1,0,0,0,0|2,0,1]=4 4436 B16R0.1183 CC/C=C\CCCCCOC(C)C(=O)NCC 34a_100016268722_100000230173 [0,1,0,0,0,0|1,0,2]=4 4437 B16R0.1183 CC/C=C\CCCCCOC(C)C(=O)NCC 7a_100016268722_100000230173 [0,1,0,0,0,0|1,0,2]=4 4438 B16R0.1183 CC=CC(=O)N(C)CCCCCCCCCC 11a_100000207566_100000210699 [0,1,0,0,0,0|2,0,1]=4 4439 B16R0.1183 CC=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000210699 [0,1,0,0,0,0|2,0,1]=4 4440 B16R0.1183 CC=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_100000210699 [0,1,0,0,0,0|2,0,1]=4 4441 B16R0.1183 CCC#CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_200000036426 [0,1,0,0,0,0|0,0,3]=4 4442 B16R0.1183 CCCCC#CCCCNC(C)C(=O)NCC 2230a_100000736553_200000047210 [0,1,0,0,0,0|1,0,2]=4 4443 B16R0.1183 CCCCC#CCCCNC(C)C(=O)NCC 34a_100000736553_200000047210 [0,1,0,0,0,0|1,0,2]=4 4444 B16R0.1183 CCCCC#CCCCSC(C)C(=O)NCC 62a_100000230173_200000047210 [0,1,0,0,0,0|1,0,2]=4 4445 B16R0.1183 CCCCC#CCCCSC(C)C(=O)NCC 62a_200000047210_100000230173 [0,1,0,0,0,0|1,0,2]=4 4446 B16R0.1183 CCCCC/C=C\CCOC(C)C(=O)NCC 34a_100016277358_100000230173 [0,1,0,0,0,0|1,0,2]=4 4447 B16R0.1183 CCCCC/C=C\CCOC(C)C(=O)NCC 7a_100016277358_100000230173 [0,1,0,0,0,0|1,0,2]=4 4448 B16R0.1183 CCCCCC#CCCOC(C)C(=O)NCC 34a_200000042877_100000230173 [0,1,0,0,0,0|1,0,2]=4 4449 B16R0.1183 CCCCCC#CCCOC(C)C(=O)NCC 7a_200000042877_100000230173 [0,1,0,0,0,0|1,0,2]=4 4450 B16R0.1183 CCCCCC/C=C/COC(C)C(=O)NCC 34a_200016276170_100000230173 [0,1,0,0,0,0|1,0,2]=4 4451 B16R0.1183 CCCCCC/C=C/COC(C)C(=O)NCC 7a_200016276170_100000230173 [0,1,0,0,0,0|1,0,2]=4 4452 B16R0.1183 CCCCCCC#CCOC(C)C(=O)NCC 34a_200000037284_100000230173 [0,1,0,0,0,0|1,0,2]=4 4453 B16R0.1183 CCCCCCC#CCOC(C)C(=O)NCC 7a_200000037284_100000230173 [0,1,0,0,0,0|1,0,2]=4 4454 B16R0.1183 CCCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210319 [0,1,0,0,0,0|0,0,1]=2 4455 B16R0.1183 CCCCCCCCCCC(C)N(C)CCC 270004a_100000747261_200011219864 [0,1,0,0,0,0|3,0,0]=4 4456 B16R0.1183 CCCCCCCCCCN(C)C(=O)CCC 11a_100000207566_100000211992 [0,1,0,0,0,0|2,0,0]=3 4457 B16R0.1183 CCCCCCCCCCN(C)C(=O)CCC 1626a_100000207566_100000211992 [0,1,0,0,0,0|2,0,0]=3 4458 B16R0.1183 CCCCCCCCCCN(C)C(=O)CCC 240690a_100000207566_100000211992 [0,1,0,0,0,0|2,0,0]=3 4459 B16R0.1183 CCCCCCCCCCN(C)C(=O)CCC 527a_100000207566_100000211992 [0,1,0,0,0,0|2,0,0]=3 4460 B16R0.1183 CCCCCCCCCCN(C)C(=O)CCO 240690a_100000207566_100011216618 [0,1,0,0,0,0|3,0,0]=4 4461 B16R0.1183 CCCCCCCCCCN(C)C(=O)COC 11a_100000207566_100000210968 [0,1,0,0,0,0|3,0,0]=4 4462 B16R0.1183 CCCCCCCCCCN(C)C(=O)COC 1626a_100000207566_100000210968 [0,1,0,0,0,0|3,0,0]=4 4463 B16R0.1183 CCCCCCCCCCN(C)C(=O)COC 240690a_100000207566_100000210968 [0,1,0,0,0,0|3,0,0]=4 4464 B16R0.1183 CCCCCCCCCCN(C)C(=O)COC 527a_100000207566_100000210968 [0,1,0,0,0,0|3,0,0]=4 4465 B16R0.1183 CCCCCCCCCCN(C)C(=O)CSC 11a_100000207566_100000184570 [0,1,0,0,0,0|3,0,0]=4 4466 B16R0.1183 CCCCCCCCCCN(C)C(=O)CSC 1626a_100000207566_100000184570 [0,1,0,0,0,0|3,0,0]=4 4467 B16R0.1183 CCCCCCCCCCN(C)C(=O)CSC 240690a_100000207566_100000184570 [0,1,0,0,0,0|3,0,0]=4 4468 B16R0.1183 CCCCCCCCCCN(C)C(=O)CSC 527a_100000207566_100000184570 [0,1,0,0,0,0|3,0,0]=4 4469 B16R0.1183 CCCCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000207566 [0,1,0,0,0,0|1,0,0]=2 4470 B16R0.1183 CCCCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000207566 [0,1,0,0,0,0|1,0,0]=2 4471 B16R0.1183 CCCCCCCCCNC(=O)C(=O)NCC 1626a_100000212291_200011297158 [0,1,0,0,0,0|1,0,1]=3 4472 B16R0.1183 CCCCCCCCCNC(=O)C(=O)NCC 240690a_100000212291_200011297158 [0,1,0,0,0,0|1,0,1]=3 4473 B16R0.1183 CCCCCCCCCNC(=O)C(=O)NCC 527a_100000212291_200011297158 [0,1,0,0,0,0|1,0,1]=3 4474 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC 11a_100000212291_100014798877 [0,1,0,0,0,0|2,0,1]=4 4475 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC 1626a_100000212291_100014798877 [0,1,0,0,0,0|2,0,1]=4 4476 B16R0.1183 CCCCCCCCCNC(=O)C(=O)OCC 240690a_100000212291_100014798877 [0,1,0,0,0,0|2,0,1]=4 4477 B16R0.1183 CCCCCCCCCNC(C)C(=O)NCC 2230a_100000212291_100000230173 [0,1,0,0,0,0|1,0,0]=2 4478 B16R0.1183 CCCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100011214924 [0,1,0,0,0,0|1,0,0]=2 4479 B16R0.1183 CCCCCCCCCNC(C)C(=O)NCC 34a_100000212291_100000230173 [0,1,0,0,0,0|1,0,0]=2 4480 B16R0.1183 CCCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100011214924 [0,1,0,0,0,0|1,0,0]=2 4481 B16R0.1183 CCCCCCCCCNC(C)C(=O)OCC 2230a_100000212291_100011215307 [0,1,0,0,0,0|2,0,0]=3 4482 B16R0.1183 CCCCCCCCCNC(C)C(=O)OCC 34a_100000212291_100011216346 [0,1,0,0,0,0|2,0,0]=3 4483 B16R0.1183 CCCCCCCCCNC(F)C(=O)OCC 2230a_100000212291_100000760018 [0,1,0,0,0,0|2,0,0]=3 4484 B16R0.1183 CCCCCCCCCNC(F)C(=O)OCC 34a_100000212291_100000760018 [0,1,0,0,0,0|2,0,0]=3 4485 B16R0.1183 CCCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011214924 [0,1,0,0,0,0|2,0,0]=3 4486 B16R0.1183 CCCCCCCCCOC(C)C(=O)NCC 34a_100000210712_100000230173 [0,1,0,0,0,0|1,0,0]=2 4487 B16R0.1183 CCCCCCCCCOC(C)C(=O)NCC 7a_100000210712_100000230173 [0,1,0,0,0,0|1,0,0]=2 4488 B16R0.1183 CCCCCCCCCOC(C)C(=O)OCC 34a_100000210712_100011216346 [0,1,0,0,0,0|2,0,0]=3 4489 B16R0.1183 CCCCCCCCCOC(C)C(=O)OCC 7a_100000210712_100011216346 [0,1,0,0,0,0|2,0,0]=3 4490 B16R0.1183 CCCCCCCCCOC(F)C(=O)OCC 34a_100000210712_100000760018 [0,1,0,0,0,0|2,0,0]=3 4491 B16R0.1183 CCCCCCCCCOC(F)C(=O)OCC 7a_100000210712_100000040065 [0,1,0,0,0,0|2,0,0]=3 4492 B16R0.1183 CCCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210328 [0,1,0,0,0,0|2,0,0]=3 4493 B16R0.1183 CCCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210670 [0,1,0,0,0,0|1,0,0]=2 4494 B16R0.1183 CCCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210670 [0,1,0,0,0,0|2,0,0]=3 4495 B16R0.1183 CCCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210670 [0,1,0,0,0,0|2,0,0]=3 4496 B16R0.1183 CCCCCCCCSCC(=O)C(=O)OCC 62a_100000210759_100000211299 [0,1,0,0,0,0|2,0,1]=4 4497 B16R0.1183 CCCCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210317 [0,1,0,0,0,0|2,0,1]=4 4498 B16R0.1183 CCCCCCOCCOC(C)C(=O)NCC 34a_100000691444_100000230173 [0,1,0,0,0,0|2,0,0]=3 4499 B16R0.1183 CCCCCCOCCOC(C)C(=O)NCC 7a_100000691444_100000230173 [0,1,0,0,0,0|2,0,0]=3 4500 B16R0.1183 CCCCCCOCCOC(C)C(=O)OCC 34a_100000691444_100011216346 [0,1,0,0,0,0|3,0,0]=4 4501 B16R0.1183 CCCCCCOCCOC(C)C(=O)OCC 7a_100000691444_100011216346 [0,1,0,0,0,0|3,0,0]=4 4502 B16R0.1183 CCCCCCOCCOC(F)C(=O)OCC 34a_100000691444_100000760018 [0,1,0,0,0,0|3,0,0]=4 4503 B16R0.1183 CCCCCCOCCOC(F)C(=O)OCC 7a_100000691444_100000040065 [0,1,0,0,0,0|3,0,0]=4 4504 B16R0.1183 CCCCNCCCCCC(=O)C(=O)OCC 2230a_100000102301_100000068741 [0,1,0,0,0,0|2,0,1]=4 4505 B16R0.1183 CCCCNCCCCOC(C)C(=O)NCC 34a_200011216965_100000230173 [0,1,0,0,0,0|2,0,0]=3 4506 B16R0.1183 CCCCNCCCCOC(C)C(=O)OCC 34a_200011216965_100011216346 [0,1,0,0,0,0|3,0,0]=4 4507 B16R0.1183 CCCCNCCCCOC(F)C(=O)OCC 34a_200011216965_100000760018 [0,1,0,0,0,0|3,0,0]=4 4508 B16R0.1183 CCCCOCCCCOC(C)C(=O)NCC 34a_200000760531_100000230173 [0,1,0,0,0,0|2,0,0]=3 4509 B16R0.1183 CCCCOCCCCOC(C)C(=O)NCC 7a_200000760531_100000230173 [0,1,0,0,0,0|2,0,0]=3 4510 B16R0.1183 CCCCOCCCCOC(C)C(=O)OCC 34a_200000760531_100011216346 [0,1,0,0,0,0|3,0,0]=4 4511 B16R0.1183 CCCCOCCCCOC(C)C(=O)OCC 7a_200000760531_100011216346 [0,1,0,0,0,0|3,0,0]=4 4512 B16R0.1183 CCCCOCCCCOC(F)C(=O)OCC 34a_200000760531_100000760018 [0,1,0,0,0,0|3,0,0]=4 4513 B16R0.1183 CCCCOCCCCOC(F)C(=O)OCC 7a_200000760531_100000040065 [0,1,0,0,0,0|3,0,0]=4 4514 B16R0.1183 CCCCSCCCCCC(=O)C(=O)OCC 62a_100000210211_100000068741 [0,1,0,0,0,0|2,0,1]=4 4515 B16R0.1183 CCCOCCOCCNC(C)C(=O)NCC 2230a_200011904461_100000230173 [0,1,0,0,0,0|3,0,0]=4 4516 B16R0.1183 CCCOCCOCCNC(C)C(=O)NCC 34a_200011904461_100000230173 [0,1,0,0,0,0|3,0,0]=4 4517 B16R0.1183 CCNC(=O)C(=O)CCCCCCCCCO 1458a_200011297158_100009813782 [0,1,0,0,0,0|1,0,1]=3 4518 B16R0.1183 CCNC(=O)C(=O)NCCCCCCCCO 240690a_102515433106_200011297158 [0,1,0,0,0,0|2,0,1]=4 4519 B16R0.1183 CCNC(=O)C(C)NCCCCCCCCO 2230a_100000736553_100000033203 [0,1,0,0,0,0|2,0,0]=3 4520 B16R0.1183 CCNC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000230173 [0,1,0,0,0,0|2,0,0]=3 4521 B16R0.1183 CCNC(=O)C(C)NCCCCCCCCO 34a_100000736553_100000033203 [0,1,0,0,0,0|2,0,0]=3 4522 B16R0.1183 CCNC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000230173 [0,1,0,0,0,0|2,0,0]=3 4523 B16R0.1183 CCNC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000230173 [0,1,0,0,0,0|2,0,0]=3 4524 B16R0.1183 CCNC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000230173 [0,1,0,0,0,0|2,0,0]=3 4525 B16R0.1183 CCNC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000230173 [0,1,0,0,0,0|2,0,0]=3 4526 B16R0.1183 CCNC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000230173 [0,1,0,0,0,0|2,0,0]=3 4527 B16R0.1183 CCNC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000230173 [0,1,0,0,0,0|2,0,0]=3 4528 B16R0.1183 CCNC(=O)C(C)OCCCCCNCCN 34a_103619048469_100000230173 [0,1,0,0,0,0|3,0,0]=4 4529 B16R0.1183 CCNC(=O)C(C)OCCCOCCCOC 34a_200011215475_100000230173 [0,1,0,0,0,0|3,0,0]=4 4530 B16R0.1183 CCNC(=O)C(C)OCCCOCCCOC 7a_200011215475_100000230173 [0,1,0,0,0,0|3,0,0]=4 4531 B16R0.1183 CCNC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000230173 [0,1,0,0,0,0|2,0,0]=3 4532 B16R0.1183 CCNC(=O)C(C)SCCCCCCCCO 62a_100000230173_100000033203 [0,1,0,0,0,0|2,0,0]=3 4533 B16R0.1183 CCOC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100011215307 [0,1,0,0,0,0|3,0,0]=4 4534 B16R0.1183 CCOC(=O)C(C)NCCCCCCCCO 34a_102515433106_100011216346 [0,1,0,0,0,0|3,0,0]=4 4535 B16R0.1183 CCOC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100011216346 [0,1,0,0,0,0|3,0,0]=4 4536 B16R0.1183 CCOC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100011216346 [0,1,0,0,0,0|3,0,0]=4 4537 B16R0.1183 CCOC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100011216346 [0,1,0,0,0,0|3,0,0]=4 4538 B16R0.1183 CCOC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100011216346 [0,1,0,0,0,0|3,0,0]=4 4539 B16R0.1183 CCOC(=O)C(C)OCCCCCCCCN 34a_102515433106_100011216346 [0,1,0,0,0,0|3,0,0]=4 4540 B16R0.1183 CCOC(=O)C(C)SCCCCCCCCO 62a_100000033203_100011216346 [0,1,0,0,0,0|3,0,0]=4 4541 B16R0.1183 CCOC(=O)C(C)SCCCCCCCCO 62a_100011216346_100000033203 [0,1,0,0,0,0|3,0,0]=4 4542 B16R0.1183 CCOC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100000760018 [0,1,0,0,0,0|3,0,0]=4 4543 B16R0.1183 CCOC(=O)C(F)NCCCCCCCCO 34a_102515433106_100000760018 [0,1,0,0,0,0|3,0,0]=4 4544 B16R0.1183 CCOC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100000760018 [0,1,0,0,0,0|3,0,0]=4 4545 B16R0.1183 CCOC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100000040065 [0,1,0,0,0,0|3,0,0]=4 4546 B16R0.1183 CCOC(=O)C(F)OCCCCCCCCCl 34a_100000033203_100000760018 [0,1,0,0,0,0|3,0,0]=4 4547 B16R0.1183 CCOC(=O)C(F)OCCCCCCCCCl 7a_100000033203_100000040065 [0,1,0,0,0,0|3,0,0]=4 4548 B16R0.1183 CCOC(=O)C(F)OCCCCCCCCN 34a_102515433106_100000760018 [0,1,0,0,0,0|3,0,0]=4 4549 B16R0.1183 CCOC(=O)C(F)SCCCCCCCCO 62a_100000033203_100000760018 [0,1,0,0,0,0|3,0,0]=4 4550 B16R0.1183 CCOC(=O)C(F)SCCCCCCCCO 62a_100000760018_100000033203 [0,1,0,0,0,0|3,0,0]=4 4551 B16R0.1183 CCOC(=O)[C@H](C)OCCCCCCCCO 7a_100000751109_100000033203 [0,1,0,0,0,0|3,0,0]=4 4552 B16R0.1183 CCSC(=O)[C@H](C)NCCCCCCCCO 2230a_100103168634_100000033203 [0,1,0,0,0,0|3,0,0]=4 4553 B16R0.5205 C#CCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100012094781 [0,1,0,0,0,0|0,0,3]=4 4554 B16R0.5205 C=CCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000700193 [0,1,0,0,0,0|0,0,3]=4 4555 B16R0.5205 CCCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210614 [0,1,0,0,0,0|0,0,1]=2 4556 B16R0.5205 CCCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210614 [0,1,0,0,0,0|1,0,1]=3 4557 B16R0.5205 CCCCCCCC(=O)CCCC(=O)OCC 1458a_100000211969_100011215271 [0,1,0,0,0,0|1,0,1]=3 4558 B16R0.5205 CCCCCCCC(=O)CCNC(=O)OCC 1458a_100000211969_200011445536 [0,1,0,0,0,0|2,0,1]=4 4559 B16R0.5205 CCCCCCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210614 [0,1,0,0,0,0|1,1,1]=4 4560 B16R0.5205 CCCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211969 [0,1,0,0,0,0|1,0,1]=3 4561 B16R0.5205 CCCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211969 [0,1,0,0,0,0|1,0,1]=3 4562 B16R0.5205 CCCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211969 [0,1,0,0,0,0|1,0,1]=3 4563 B16R0.5205 CCCCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211969 [0,1,0,0,0,0|1,0,1]=3 4564 B16R0.5205 CCCCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211969 [0,1,0,0,0,0|2,0,1]=4 4565 B16R0.5205 CCCCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210596 [0,1,0,0,0,0|1,0,0]=2 4566 B16R0.5205 CCCCCCCC(C)NCCC(=O)NCC 34a_100025743525_200011218727 [0,1,0,0,0,0|1,0,0]=2 4567 B16R0.5205 CCCCCCCC(C)OCCC(=O)NCC 7a_200011215852_100000737597 [0,1,0,0,0,0|1,0,0]=2 4568 B16R0.5205 CCCCCCCC(C)OCCC(=O)OCC 34a_200011215852_100000765890 [0,1,0,0,0,0|2,0,0]=3 4569 B16R0.5205 CCCCCCCC(C)OCCC(=O)OCC 7a_200011215852_100011206558 [0,1,0,0,0,0|2,0,0]=3 4570 B16R0.5205 CCCCCCCC(C)OCOC(=O)CCC 34a_200011215852_100000034017 [0,1,0,0,0,0|3,0,0]=4 4571 B16R0.5205 CCCCCCCC(C)SCCC(=O)NCC 62a_100000737597_200011218727 [0,1,0,0,0,0|1,0,0]=2 4572 B16R0.5205 CCCCCCCC(C)SCCC(=O)NCC 62a_200011218727_100000737597 [0,1,0,0,0,0|1,0,0]=2 4573 B16R0.5205 CCCCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218727 [0,1,0,0,0,0|2,0,0]=3 4574 B16R0.5205 CCCCCCCC(C)SCCC(=O)OCC 62a_200011218727_100000765890 [0,1,0,0,0,0|2,0,0]=3 4575 B16R0.5205 CCCCCCCC(C)SCOC(=O)CCC 62a_200011218727_100000034017 [0,1,0,0,0,0|3,0,0]=4 4576 B16R0.5205 CCCCCCCC(C)SCOC(=O)OCC 62a_200011218727_100000075025 [0,1,0,0,0,0|3,0,0]=4 4577 B16R0.5205 CCCCCCCN(C)CCCC(=O)OCC 2230a_100000228206_100009991533 [0,1,0,0,0,0|2,0,0]=3 4578 B16R0.5205 CCCCCCCN(C)CCCC(=O)OCC 269982a_100000228206_100009991533 [0,1,0,0,0,0|2,0,0]=3 4579 B16R0.5205 CCCCCCCN(C)CCNC(=O)OCC 269982a_100000228206_200011445536 [0,1,0,0,0,0|3,0,0]=4 4580 B16R0.5205 CCCCCCNC(=O)CCCC(=O)NCC 11a_100000210581_100000199580 [0,1,0,0,0,0|1,0,1]=3 4581 B16R0.5205 CCCCCCNC(=O)CCCC(=O)NCC 1626a_100000210581_100000199580 [0,1,0,0,0,0|1,0,1]=3 4582 B16R0.5205 CCCCCCNC(=O)CCCC(=O)NCC 240690a_100000210581_100000199580 [0,1,0,0,0,0|1,0,1]=3 4583 B16R0.5205 CCCCCCNC(=O)CCCC(=O)NCC 527a_100000210581_100000199580 [0,1,0,0,0,0|1,0,1]=3 4584 B16R0.5205 CCCCCCNC(=O)CCCC(=O)OCC 11a_100000210581_100000210991 [0,1,0,0,0,0|2,0,1]=4 4585 B16R0.5205 CCCCCCNC(=O)CCCC(=O)OCC 1626a_100000210581_100000210991 [0,1,0,0,0,0|2,0,1]=4 4586 B16R0.5205 CCCCCCNC(=O)CCCC(=O)OCC 240690a_100000210581_100000210991 [0,1,0,0,0,0|2,0,1]=4 4587 B16R0.5205 CCCCCCNC(=O)CCCC(=O)OCC 527a_100000210581_100000210991 [0,1,0,0,0,0|2,0,1]=4 4588 B16R0.5205 CCCCCCNC(=O)CNCC(=O)NCC 2230a_100016988866_100000230325 [0,1,0,0,0,0|2,0,1]=4 4589 B16R0.5205 CCCCCCNC(=O)CSCC(=O)NCC 62a_100000230325_100000183381 [0,1,0,0,0,0|2,0,1]=4 4590 B16R0.5205 CCCCCCNC(=O)NCCC(=O)NCC 2708a_100000210581_100025743525 [0,1,0,0,0,0|2,0,1]=4 4591 B16R0.5205 CCCCCCNC(=O)NCCC(=O)NCC 273464a_100000210581_100025743525 [0,1,0,0,0,0|2,0,1]=4 4592 B16R0.5205 CCCCCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100000210581 [0,1,0,0,0,0|2,0,1]=4 4593 B16R0.5205 CCCCCCNC(=O)NCCC(=O)NCC 512a_100000210581_100025743525 [0,1,0,0,0,0|2,0,1]=4 4594 B16R0.5205 CCCCCCNC(=O)NCCC(=O)NCC 512a_100025743525_100000210581 [0,1,0,0,0,0|2,0,1]=4 4595 B16R0.5205 CCCCCNNC(=O)CCCC(=O)NCC 22a_100000694160_100000199580 [0,1,0,0,0,0|2,0,1]=4 4596 B16R0.5205 CCCCOCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000743108 [0,1,0,0,0,0|1,0,1]=3 4597 B16R0.5205 CCCCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000743108 [0,1,0,0,0,0|2,0,1]=4 4598 B16R0.5205 CCCOCCNC(=O)CCCC(=O)NCC 1626a_100161115042_100000199580 [0,1,0,0,0,0|2,0,1]=4 4599 B16R0.5205 CCCOCCNC(=O)CCCC(=O)NCC 240690a_100161115042_100000199580 [0,1,0,0,0,0|2,0,1]=4 4600 B16R0.5205 CCCOCCNC(=O)CCCC(=O)NCC 527a_100161115042_100000199580 [0,1,0,0,0,0|2,0,1]=4 4601 B16R0.5205 CCCSCCNC(=O)CCCC(=O)NCC 11a_100020603323_100000199580 [0,1,0,0,0,0|2,0,1]=4 4602 B16R0.5205 CCCSCCNC(=O)CCCC(=O)NCC 240690a_100020603323_100000199580 [0,1,0,0,0,0|2,0,1]=4 4603 B16R0.5205 CCCSCCNC(=O)CCCC(=O)NCC 527a_100020603323_100000199580 [0,1,0,0,0,0|2,0,1]=4 4604 B16R0.5205 CCNC(=O)CCCC(=O)CCCCCC#N 1458a_100000199580_100009813376 [0,1,0,0,0,0|1,0,2]=4 4605 B16R0.5205 CCNC(=O)CCCC(=O)CCCCCCF 1458a_100000199580_100015922095 [0,1,0,0,0,0|1,0,1]=3 4606 B16R0.5205 CCNC(=O)CCCC(=O)CCCCCCO 1458a_100000199580_100000766143 [0,1,0,0,0,0|1,0,1]=3 4607 B16R0.5205 CCNC(=O)CCCC(=O)CCOCCOC 1458a_100000199580_100000695917 [0,1,0,0,0,0|2,0,1]=4 4608 B16R0.5205 CCNC(=O)CCCC(=O)NCCCCCO 240690a_100000762737_100000199580 [0,1,0,0,0,0|2,0,1]=4 4609 B16R0.5205 CCNC(=O)CCCC(=O)NCCCOCC 11a_100000210961_100000199580 [0,1,0,0,0,0|2,0,1]=4 4610 B16R0.5205 CCNC(=O)CCCC(=O)NCCCOCC 1626a_100000210961_100000199580 [0,1,0,0,0,0|2,0,1]=4 4611 B16R0.5205 CCNC(=O)CCCC(=O)NCCCOCC 240690a_100000210961_100000199580 [0,1,0,0,0,0|2,0,1]=4 4612 B16R0.5205 CCNC(=O)CCCC(=O)NCCCOCC 527a_100000210961_100000199580 [0,1,0,0,0,0|2,0,1]=4 4613 B16R0.5205 CCNC(=O)CCNC(=O)CCCCCCO 240690a_100025743525_100011996774 [0,1,0,0,0,0|2,0,1]=4 4614 B16R0.5205 CCNC(=O)CCNC(=O)CCCCCOC 11a_100025743525_100011935119 [0,1,0,0,0,0|2,0,1]=4 4615 B16R0.5205 CCNC(=O)CCNC(=O)CCCCCOC 1626a_100025743525_100011935119 [0,1,0,0,0,0|2,0,1]=4 4616 B16R0.5205 CCNC(=O)CCNC(=O)CCCCCOC 240690a_100025743525_100011935119 [0,1,0,0,0,0|2,0,1]=4 4617 B16R0.5205 CCNC(=O)CCNC(=O)CCCCCOC 527a_100025743525_100011935119 [0,1,0,0,0,0|2,0,1]=4 4618 B16R0.5205 CCOC(=O)CCCC(=O)CCCCCCF 1458a_100000210991_100015922095 [0,1,0,0,0,0|2,0,1]=4 4619 B16R0.5205 CCOC(=O)CCCC(=O)CCCCCCO 1458a_100000210991_100000766143 [0,1,0,0,0,0|2,0,1]=4 4620 B16R0.5205 CCOC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215271 [0,1,0,0,0,0|2,0,1]=4 4621 B16R0.5205 CCOC(=O)CCCC(=O)CCCCCOC 1458a_100011935119_100011215271 [0,1,0,0,0,0|2,0,1]=4 4622 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC 270084a_100000684558_100000211391 [0,1,0,0,0,0|3,0,0]=4 4623 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC 274078a_100000684558_100000211391 [0,1,0,0,0,0|3,0,0]=4 4624 B16R0.5308 CCCCCCCCCCNS(=O)(=O)CCC 40a_100000684558_100000054278 [0,1,0,0,0,0|3,0,0]=4 4625 B16R0.5308 CCCCCCCCCOCC(C)(C)NCC 7a_100000747347_100000210328 [0,1,0,0,0,0|2,0,1]=4 4626 B16R1.27 C#CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100153394163 [0,0,0,1,0,0|1,0,2]=4 4627 B16R1.27 C#CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100012276617 [0,0,0,1,0,0|1,0,2]=4 4628 B16R1.27 C#CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100012276617 [0,0,0,1,0,0|1,0,2]=4 4629 B16R1.27 C#CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012276617 [0,0,0,1,0,0|1,0,2]=4 4630 B16R1.27 C#CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100012094781 [0,0,0,1,0,0|1,0,2]=4 4631 B16R1.27 C=CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100012355270 [0,0,0,1,0,0|1,0,2]=4 4632 B16R1.27 C=CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011215473 [0,0,0,1,0,0|1,0,2]=4 4633 B16R1.27 C=CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011215473 [0,0,0,1,0,0|1,0,2]=4 4634 B16R1.27 C=CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215473 [0,0,0,1,0,0|1,0,2]=4 4635 B16R1.27 C=CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000700193 [0,0,0,1,0,0|1,0,2]=4 4636 B16R1.27 CCCCC#CCCCN1CCNC(=O)C1 2230a_100000184651_200000047210 [0,0,0,1,0,0|1,0,2]=4 4637 B16R1.27 CCCCCC#CCNC1CCNC(=O)C1 2230a_100016994916_100009816472 [0,0,0,1,0,0|1,0,2]=4 4638 B16R1.27 CCCCCC#CCNC1CCNC(=O)C1 34a_100016994916_100009816472 [0,0,0,1,0,0|1,0,2]=4 4639 B16R1.27 CCCCCC#CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100009816472 [0,0,0,1,0,0|1,0,2]=4 4640 B16R1.27 CCCCCCCCCN1CCC=C(C1)C 2230a_100000725631_100011214924 [0,0,0,1,0,0|3,0,0]=4 4641 B16R1.27 CCCCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210670 [0,0,0,1,0,0|3,0,0]=4 4642 B16R1.27 CCCCCCCCCN1CCC=C(C1)C 34a_100000725631_100011214924 [0,0,0,1,0,0|3,0,0]=4 4643 B16R1.27 CCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011214924 [0,0,0,1,0,0|1,0,0]=2 4644 B16R1.27 CCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011214924 [0,0,0,1,0,0|2,0,0]=3 4645 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210759 [0,0,0,1,0,0|1,0,0]=2 4646 B16R1.27 CCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210759 [0,0,0,1,0,0|1,0,0]=2 4647 B16R1.27 CCCCCCCCNC1CCN[C@@H](C1)C 270004a_100000229939_100016994030 [0,0,0,1,0,0|2,0,1]=4 4648 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [0,0,0,1,0,0|2,0,0]=3 4649 B16R1.27 CCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210759 [0,0,0,1,0,0|1,0,0]=2 4650 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [0,0,0,1,0,0|3,0,0]=4 4651 B16R1.27 CCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210614 [0,0,0,1,0,0|1,0,0]=2 4652 B16R1.27 CCCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210326 [0,0,0,1,0,0|2,0,0]=3 4653 B16R1.27 CCCCOCCOCC1CCNC(=O)C1 34a_100009886756_100000743108 [0,0,0,1,0,0|2,0,0]=3 4654 B16R1.27 CCOCCNCCCN1CCNC(=O)C1 2230a_100000757908_100011215890 [0,0,0,1,0,0|3,0,0]=4 4655 B16R1.27 CCOCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011211534 [0,0,0,1,0,0|3,0,0]=4 4656 B16R1.27 CCOCCOCCNC1CCNC(=O)C1 34a_100016994916_100011211534 [0,0,0,1,0,0|3,0,0]=4 4657 B16R1.27 CCOCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011211534 [0,0,0,1,0,0|3,0,0]=4 4658 B16R1.27 CCSCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000757381 [0,0,0,1,0,0|3,0,0]=4 4659 B16R1.27 COCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011998445 [0,0,0,1,0,0|2,0,0]=3 4660 B16R1.27 COCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011998445 [0,0,0,1,0,0|2,0,0]=3 4661 B16R1.27 COCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011998445 [0,0,0,1,0,0|3,0,0]=4 4662 B16R1.27 COCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011998445 [0,0,0,1,0,0|2,0,0]=3 4663 B16R1.27 COCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000740836 [0,0,0,1,0,0|3,0,0]=4 4664 B16R1.27 COCCOCCCNC1CCNC(=O)C1 2230a_100016994916_100011216529 [0,0,0,1,0,0|3,0,0]=4 4665 B16R1.27 COCCOCCCNC1CCNC(=O)C1 34a_100016994916_100011216529 [0,0,0,1,0,0|3,0,0]=4 4666 B16R1.27 COCCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216529 [0,0,0,1,0,0|3,0,0]=4 4667 B16R1.27 COCCOCCOCC1CCNC(=O)C1 34a_100009886756_100000695917 [0,0,0,1,0,0|3,0,0]=4 4668 B16R1.27 N#CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100009813337 [0,0,0,1,0,0|2,0,1]=4 4669 B16R1.27 O=C1CC(CCN1)COCCCCCCF 34a_100009886756_100015922095 [0,0,0,1,0,0|2,0,0]=3 4670 B16R1.27 O=C1CC(CCN1)COCCCCCCO 34a_100009886756_100000766143 [0,0,0,1,0,0|2,0,0]=3 4671 B16R1.27 O=C1CC(CCN1)NCCCCCCCO 2230a_100016994916_100000760002 [0,0,0,1,0,0|2,0,0]=3 4672 B16R1.27 O=C1CC(CCN1)NCCCCCCCO 34a_100016994916_100000760002 [0,0,0,1,0,0|2,0,0]=3 4673 B16R1.27 O=C1CCCC(C1)OCCCCCCCO 34a_100012613340_100000760002 [0,0,0,1,0,0|3,0,0]=4 4674 B16R1.27 O=C1CN(CCN1)CCCCCCCCO 2230a_100000184651_100000033203 [0,0,0,1,0,0|2,0,0]=3 4675 B16R1.27 O=C1CN(CCN1)CCCNCCCCF 2230a_100000757908_100000729493 [0,0,0,1,0,0|3,0,0]=4 4676 B16R1.27 O=C1CN(CCN1)CCCNCCCCO 2230a_100000757908_100000210776 [0,0,0,1,0,0|3,0,0]=4 4677 B16R1.27 O=C1CN(CCO1)CCCCCCCCO 2230a_100000131268_100000033203 [0,0,0,1,0,0|3,0,0]=4 4678 B16R1.27 O=C1C[C@@H](CCN1)OCCCCCCCO 34a_100015189427_100000760002 [0,0,0,1,0,0|2,0,0]=3 4679 B16R1.250 CCCCCCCCCCCN1CC(C1)C 2230a_100000702820_100011215454 [0,0,0,1,0,0|3,0,0]=4 4680 B16R1.250 CCCCCCCCCCCN1CC(C1)C 269982a_100000702820_100011215454 [0,0,0,1,0,0|3,0,0]=4 4681 B16R1.250 CCCCCCCCCCCN1CC(C1)C 34a_100000702820_100011215454 [0,0,0,1,0,0|3,0,0]=4 4682 B16R1.258 CCCCCCCNC1CCC(=O)NC1=O 2230a_100000229938_100000694648 [0,0,0,1,0,0|2,0,1]=4 4683 B16R1.258 CCCCCCCNC1CCC(=O)NC1=O 2230a_100000691121_100000210681 [0,0,0,1,0,0|2,0,1]=4 4684 B16R1.258 CCCCCCCNC1CCC(=O)NC1=O 34a_100000691121_100000210614 [0,0,0,1,0,0|2,0,1]=4 4685 B16R1.258 CCCCCCCOC1CCC(=O)NC1=O 7a_100000210272_100000694648 [0,0,0,1,0,0|2,0,1]=4 4686 B16R1.258 CCCCCCCSC1CCC(=O)NC1=O 62a_100000210614_100000694648 [0,0,0,1,0,0|2,0,1]=4 4687 B16R1.258 CCCCCCCSC1CCC(=O)NC1=O 62a_100000694648_100000210316 [0,0,0,1,0,0|2,0,1]=4 4688 B16R1.258 CCCCCCNCC1CCC(=CC1C)C 269862a_100000210581_100000075207 [0,0,0,1,0,0|3,0,0]=4 4689 B16R1.298 CCOC(=O)CCCCN1CCC1COC 2230a_100015195929_100000750268 [0,0,0,1,0,0|3,0,0]=4 4690 B16R1.298 CCOC(=O)CCCCN1CCC1COC 269982a_100015195929_100000750268 [0,0,0,1,0,0|3,0,0]=4 4691 B16R1.298 CCOC(=O)CCCCN1CCC1COC 34a_100015195929_100000750268 [0,0,0,1,0,0|3,0,0]=4 4692 B16R1.694 C=CCC1CCCCC1NCC(=O)NCC 270004a_100016988866_100011214939 [0,0,0,1,0,0|1,0,2]=4 4693 B16R1.694 CCCC(=O)COC1CCCCC1CCC 7a_100011217265_100000747444 [0,0,0,1,0,0|2,0,0]=3 4694 B16R1.694 CCCC(=O)OCN1CCCCC1CCC 2230a_100000701414_100000034017 [0,0,0,1,0,0|3,0,0]=4 4695 B16R1.694 CCCC(=O)OCN1CCCCC1CCC 269982a_100000701414_100000034017 [0,0,0,1,0,0|3,0,0]=4 4696 B16R1.694 CCCC(=O)OCN1CCCCC1CCC 34a_100000701414_100000034017 [0,0,0,1,0,0|3,0,0]=4 4697 B16R1.694 CCCC1CCCCC1NCC(=O)NCC 270004a_100016988866_100011218038 [0,0,0,1,0,0|1,0,0]=2 4698 B16R1.694 CCCC1CCCCC1OCC(=O)NCC 34a_100011217265_100000183381 [0,0,0,1,0,0|1,0,0]=2 4699 B16R1.694 CCCC1CCCCC1OCC(=O)NCC 7a_100011217265_100000183381 [0,0,0,1,0,0|1,0,0]=2 4700 B16R1.694 CCCC1CCCCC1OCC(=O)NCO 34a_100011217265_100000185155 [0,0,0,1,0,0|2,0,0]=3 4701 B16R1.694 CCCC1CCCCC1OCC(=O)NCO 7a_100011217265_100000185155 [0,0,0,1,0,0|2,0,0]=3 4702 B16R1.694 CCCC1CCCCC1OCC(=O)OCC 34a_100011217265_100000188475 [0,0,0,1,0,0|2,0,0]=3 4703 B16R1.694 CCCC1CCCCC1OCC(=O)OCC 7a_100011217265_100000188475 [0,0,0,1,0,0|2,0,0]=3 4704 B16R1.694 CCCC1CCCCN1CCC(=O)NCC 2230a_100000701414_100000737597 [0,0,0,1,0,0|1,0,0]=2 4705 B16R1.694 CCCC1CCCCN1CCC(=O)NCC 269982a_100000701414_100000737597 [0,0,0,1,0,0|1,0,0]=2 4706 B16R1.694 CCCC1CCCCN1CCC(=O)OCC 2230a_100000701414_100011206558 [0,0,0,1,0,0|2,0,0]=3 4707 B16R1.694 CCCC1CCCCN1CCC(=O)OCC 269982a_100000701414_100011206558 [0,0,0,1,0,0|2,0,0]=3 4708 B16R1.694 CCCC1CCCCN1CCC(=O)OCC 34a_100000701414_100000765890 [0,0,0,1,0,0|2,0,0]=3 4709 B16R1.694 CCCC1COCCN1CCC(=O)NCC 2230a_102495339903_100000737597 [0,0,0,1,0,0|2,0,0]=3 4710 B16R1.694 CCCC1COCCN1CCC(=O)NCC 269982a_102495339903_100000737597 [0,0,0,1,0,0|2,0,0]=3 4711 B16R1.694 CCCC1COCCN1CCC(=O)OCC 2230a_102495339903_100011206558 [0,0,0,1,0,0|3,0,0]=4 4712 B16R1.694 CCCC1COCCN1CCC(=O)OCC 269982a_102495339903_100011206558 [0,0,0,1,0,0|3,0,0]=4 4713 B16R1.694 CCCC1COCCN1CCC(=O)OCC 34a_102495339903_100000765890 [0,0,0,1,0,0|3,0,0]=4 4714 B16R1.694 CCNC(=O)CCN1CCCCC1CC#N 2230a_100000133382_100000737597 [0,0,0,1,0,0|2,0,1]=4 4715 B16R1.694 CCNC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000737597 [0,0,0,1,0,0|2,0,0]=3 4716 B16R1.694 CCNC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000737597 [0,0,0,1,0,0|2,0,0]=3 4717 B16R1.694 CCNC(=O)CCN1CCCCC1COC 2230a_100015184032_100000737597 [0,0,0,1,0,0|2,0,0]=3 4718 B16R1.694 CCNC(=O)CCN1CCCCC1COC 269982a_100015184032_100000737597 [0,0,0,1,0,0|2,0,0]=3 4719 B16R1.694 CCNC(=O)CCN1CCOC[C@@H]1COC 2230a_100016989928_100000737597 [0,0,0,1,0,0|3,0,0]=4 4720 B16R1.694 CCNC(=O)CCN1CCOC[C@@H]1COC 269982a_100016989928_100000737597 [0,0,0,1,0,0|3,0,0]=4 4721 B16R1.694 CCNC(=O)CNC1CCCCC1CC#N 270004a_100016988866_100009866218 [0,0,0,1,0,0|2,0,1]=4 4722 B16R1.694 CCNC(=O)CNC1CCCCC1OCC 270004a_100016988866_200000031474 [0,0,0,1,0,0|2,0,0]=3 4723 B16R1.694 CCOC(=O)CCN1CCCCC1CCO 2230a_100000211664_100011206558 [0,0,0,1,0,0|3,0,0]=4 4724 B16R1.694 CCOC(=O)CCN1CCCCC1CCO 269982a_100000211664_100011206558 [0,0,0,1,0,0|3,0,0]=4 4725 B16R1.694 CCOC(=O)CCN1CCCCC1CCO 34a_100000211664_100000765890 [0,0,0,1,0,0|3,0,0]=4 4726 B16R1.694 CCOC(=O)CCN1CCCCC1COC 2230a_100015184032_100011206558 [0,0,0,1,0,0|3,0,0]=4 4727 B16R1.694 CCOC(=O)CCN1CCCCC1COC 269982a_100015184032_100011206558 [0,0,0,1,0,0|3,0,0]=4 4728 B16R1.694 CCOC(=O)CCN1CCCCC1COC 34a_100015184032_100000765890 [0,0,0,1,0,0|3,0,0]=4 4729 B16R1.889 CC1CCCCN1CCNCC(=O)NCO 2230a_100000739827_100000185155 [0,0,0,1,0,0|3,0,0]=4 4730 B16R1.889 CC1CCCCN1CCNCC(=O)NCO 34a_100000739827_100000185155 [0,0,0,1,0,0|3,0,0]=4 4731 B16R1.889 CC1CCCCN1CCOCC(=O)NCO 34a_100011305533_100000185155 [0,0,0,1,0,0|3,0,0]=4 4732 B16R1.889 CCCC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000747444 [0,0,0,1,0,0|3,0,0]=4 4733 B16R1.889 CCCC(=O)CSCCC1CCCCN1C 62a_100000211948_100000747444 [0,0,0,1,0,0|3,0,0]=4 4734 B16R1.889 CCCC(=O)CSCCC1CCCCN1C 62a_100000747444_100000211948 [0,0,0,1,0,0|3,0,0]=4 4735 B16R1.889 CCCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000211992 [0,0,0,1,0,0|3,0,0]=4 4736 B16R1.889 CCCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000211992 [0,0,0,1,0,0|3,0,0]=4 4737 B16R1.889 CCNC(=O)CCNCC1CC=CCC1C 269862a_100025743525_100000117039 [0,0,0,1,0,0|1,0,2]=4 4738 B16R1.889 CCNC(=O)CCNCC1CC=CCC1C 270004a_100025743525_100000117039 [0,0,0,1,0,0|1,0,2]=4 4739 B16R1.889 CCNC(=O)CCNCC1CCCCN1C 34a_100025743525_100015186950 [0,0,0,1,0,0|2,0,0]=3 4740 B16R1.889 CCNC(=O)CCOCC1CCCCC1=O 7a_100009861125_100000737597 [0,0,0,1,0,0|2,0,1]=4 4741 B16R1.889 CCNC(=O)CCSCC1CCCCN1C 62a_100000737597_100015185383 [0,0,0,1,0,0|2,0,0]=3 4742 B16R1.889 CCNC(=O)CCSCC1CCCCN1C 62a_100015185383_100000737597 [0,0,0,1,0,0|2,0,0]=3 4743 B16R1.889 CCNC(=O)CNCCC1CCCCN1C 2230a_100016988866_100000211948 [0,0,0,1,0,0|2,0,0]=3 4744 B16R1.889 CCNC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000183381 [0,0,0,1,0,0|2,0,0]=3 4745 B16R1.889 CCNC(=O)CNCCN1CCCCC1C 34a_100000739827_100000183381 [0,0,0,1,0,0|2,0,0]=3 4746 B16R1.889 CCNC(=O)COCCN1CCCCC1C 34a_100011305533_100000183381 [0,0,0,1,0,0|2,0,0]=3 4747 B16R1.889 CCNC(=O)CSCCC1CCCCN1C 62a_100000183381_100000211948 [0,0,0,1,0,0|2,0,0]=3 4748 B16R1.889 CCNC(=O)CSCCC1CCCCN1C 62a_100000211948_100000183381 [0,0,0,1,0,0|2,0,0]=3 4749 B16R1.889 CCNC(=O)NCCCN1CCCCC1C 2708a_100015525214_100000212276 [0,0,0,1,0,0|2,0,0]=3 4750 B16R1.889 CCNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100015525214 [0,0,0,1,0,0|2,0,0]=3 4751 B16R1.889 CCNC(=O)NCCCN1CCCCC1C 273464a_100015525214_100000212276 [0,0,0,1,0,0|2,0,0]=3 4752 B16R1.889 CCNC(=O)NCCCN1CCCCC1C 512a_100015525214_100000212276 [0,0,0,1,0,0|2,0,0]=3 4753 B16R1.889 CCOC(=O)CCCCN1CCCCC1C 2230a_100000211376_100000750268 [0,0,0,1,0,0|2,0,0]=3 4754 B16R1.889 CCOC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000750268 [0,0,0,1,0,0|2,0,0]=3 4755 B16R1.889 CCOC(=O)CCCCN1CCCCC1C 34a_100000211376_100000750268 [0,0,0,1,0,0|2,0,0]=3 4756 B16R1.889 CCOC(=O)CCCCN1CCOC[C@@H]1C 2230a_100009815349_100000750268 [0,0,0,1,0,0|3,0,0]=4 4757 B16R1.889 CCOC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000750268 [0,0,0,1,0,0|3,0,0]=4 4758 B16R1.889 CCOC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100000750268 [0,0,0,1,0,0|3,0,0]=4 4759 B16R1.889 CCOC(=O)CCCNC1CCCCC1C 2230a_100000211402_100009991533 [0,0,0,1,0,0|2,0,0]=3 4760 B16R1.889 CCOC(=O)CCCNC1CCCCC1C 34a_100000211402_100009991533 [0,0,0,1,0,0|2,0,0]=3 4761 B16R1.889 CCOC(=O)CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009991533 [0,0,0,1,0,0|3,0,0]=4 4762 B16R1.889 CCOC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100009991533 [0,0,0,1,0,0|3,0,0]=4 4763 B16R1.889 CCOC(=O)CCCOC1CCCCC1C 34a_100000211207_100009991533 [0,0,0,1,0,0|2,0,0]=3 4764 B16R1.889 CCOC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215271 [0,0,0,1,0,0|2,0,0]=3 4765 B16R1.889 CCOC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100009991533 [0,0,0,1,0,0|3,0,0]=4 4766 B16R1.889 CCOC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011215271 [0,0,0,1,0,0|3,0,0]=4 4767 B16R1.889 CCOC(=O)CCCOC1CCNCC1C 34a_100011998114_100009991533 [0,0,0,1,0,0|3,0,0]=4 4768 B16R1.889 CCOC(=O)CCCOC1CNCCC1C 34a_100000696640_100009991533 [0,0,0,1,0,0|3,0,0]=4 4769 B16R1.889 CCOC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100009991533 [0,0,0,1,0,0|3,0,0]=4 4770 B16R1.889 CCOC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215271 [0,0,0,1,0,0|3,0,0]=4 4771 B16R1.889 CCOC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100009991533 [0,0,0,1,0,0|3,0,0]=4 4772 B16R1.889 CCOC(=O)CCCSC1CCCCC1F 62a_100009991533_100015423560 [0,0,0,1,0,0|3,0,0]=4 4773 B16R1.889 CCOC(=O)CCCSC1CCCCC1F 62a_100015423560_100009991533 [0,0,0,1,0,0|3,0,0]=4 4774 B16R1.889 CCOC(=O)CCCSC1CCCCC1O 62a_100000038908_100009991533 [0,0,0,1,0,0|3,0,0]=4 4775 B16R1.889 CCOC(=O)CCCSC1CCCCC1O 62a_100009991533_100000038908 [0,0,0,1,0,0|3,0,0]=4 4776 B16R1.889 CCOC(=O)CCNCC1CCCCC1O 34a_100011216029_100000765890 [0,0,0,1,0,0|3,0,0]=4 4777 B16R1.889 CCOC(=O)CCNCC1CCCCN1C 34a_100011228421_100000765890 [0,0,0,1,0,0|3,0,0]=4 4778 B16R1.889 CCOC(=O)CCOCC1CCCCN1C 34a_100000225079_100000765890 [0,0,0,1,0,0|3,0,0]=4 4779 B16R1.889 CCOC(=O)CCSCC1CCCCN1C 62a_100000765890_100015185383 [0,0,0,1,0,0|3,0,0]=4 4780 B16R1.889 CCOC(=O)CCSCC1CCCCN1C 62a_100015185383_100000765890 [0,0,0,1,0,0|3,0,0]=4 4781 B16R1.889 CCOC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000188475 [0,0,0,1,0,0|3,0,0]=4 4782 B16R1.889 CCOC(=O)CNCCN1CCCCC1C 34a_100000739827_100000188475 [0,0,0,1,0,0|3,0,0]=4 4783 B16R1.889 CCOC(=O)COCCN1CCCCC1C 2230a_100000211376_100000088970 [0,0,0,1,0,0|3,0,0]=4 4784 B16R1.889 CCOC(=O)COCCN1CCCCC1C 269982a_100000211376_100000088970 [0,0,0,1,0,0|3,0,0]=4 4785 B16R1.889 CCOC(=O)COCCN1CCCCC1C 34a_100000211376_100000088970 [0,0,0,1,0,0|3,0,0]=4 4786 B16R1.889 CCOC(=O)COCCN1CCCCC1C 34a_100011305533_100000188475 [0,0,0,1,0,0|3,0,0]=4 4787 B16R1.889 CCOC(=O)CSCCC1CCCCN1C 62a_100000188475_100000211948 [0,0,0,1,0,0|3,0,0]=4 4788 B16R1.889 CCOC(=O)CSCCC1CCCCN1C 62a_100000211948_100000188475 [0,0,0,1,0,0|3,0,0]=4 4789 B16R1.889 CCOC(=O)NCCOC1CCCCC1C 7a_100000211207_200011445536 [0,0,0,1,0,0|3,0,0]=4 4790 B16R1.889 CN1CCCCC1CCSCC(=O)NCO 62a_100000185155_100000211948 [0,0,0,1,0,0|3,0,0]=4 4791 B16R1.889 CN1CCCCC1CCSCC(=O)NCO 62a_100000211948_100000185155 [0,0,0,1,0,0|3,0,0]=4 4792 B16R1.889 CNNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100016993582 [0,0,0,1,0,0|3,0,0]=4 4793 B16R1.889 CNNC(=O)NCCCN1CCCCC1C 512a_100016993582_100000212276 [0,0,0,1,0,0|3,0,0]=4 4794 B16R1.890 CCNC(=O)CCNCC1CCCN1CC 2230a_100000211693_100000737597 [0,0,0,1,0,0|2,0,0]=3 4795 B16R1.890 CCNC(=O)CCOC[C@H]1CCCN1CC 7a_100011739246_100000737597 [0,0,0,1,0,0|2,0,0]=3 4796 B16R1.890 CCOC(=O)CCCCN1CCCC1CC 2230a_100000754278_100000750268 [0,0,0,1,0,0|2,0,0]=3 4797 B16R1.890 CCOC(=O)CCCCN1CCCC1CC 269982a_100000754278_100000750268 [0,0,0,1,0,0|2,0,0]=3 4798 B16R1.890 CCOC(=O)CCCCN1CCCC1CC 34a_100000754278_100000750268 [0,0,0,1,0,0|2,0,0]=3 4799 B16R1.890 CCOC(=O)CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000750268 [0,0,0,1,0,0|3,0,0]=4 4800 B16R1.890 CCOC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000750268 [0,0,0,1,0,0|3,0,0]=4 4801 B16R1.890 CCOC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100000750268 [0,0,0,1,0,0|3,0,0]=4 4802 B16R1.890 CCOC(=O)CCNCC1CCCN1CC 2230a_100000211693_100011206558 [0,0,0,1,0,0|3,0,0]=4 4803 B16R1.890 CCOC(=O)CCOC[C@H]1CCCN1CC 34a_100011739246_100000765890 [0,0,0,1,0,0|3,0,0]=4 4804 B16R1.890 CCOC(=O)CCOC[C@H]1CCCN1CC 7a_100011739246_100011206558 [0,0,0,1,0,0|3,0,0]=4 4805 B16R1.890 CCOC(=O)COCCN1CCCC1CC 2230a_100000754278_100000088970 [0,0,0,1,0,0|3,0,0]=4 4806 B16R1.890 CCOC(=O)COCCN1CCCC1CC 269982a_100000754278_100000088970 [0,0,0,1,0,0|3,0,0]=4 4807 B16R1.890 CCOC(=O)COCCN1CCCC1CC 34a_100000754278_100000088970 [0,0,0,1,0,0|3,0,0]=4 4808 B16R1.932 CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210303 [0,0,0,1,0,0|2,0,0]=3 4809 B16R1.932 CCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100000210303 [0,0,0,1,0,0|3,0,0]=4 4810 B16R1.932 CCCC(=O)CCCCOC1CCCCO1 1458a_100000211992_100000031530 [0,0,0,1,0,0|3,0,0]=4 4811 B16R1.932 CCCC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747444 [0,0,0,1,0,0|2,0,0]=3 4812 B16R1.932 CCCC(=O)COCCCC1CCCCC1 7a_100000198086_100000747444 [0,0,0,1,0,0|2,0,0]=3 4813 B16R1.932 CCCC(=O)COCCOC1CCCCC1 7a_100011249652_100000747444 [0,0,0,1,0,0|3,0,0]=4 4814 B16R1.932 CCCC(=O)CSCCCC1CCCCC1 62a_100000747444_100011713725 [0,0,0,1,0,0|2,0,0]=3 4815 B16R1.932 CCCC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747444 [0,0,0,1,0,0|2,0,0]=3 4816 B16R1.932 CCCC(=O)CSCCCN1CCCCC1 62a_100000747444_100000007876 [0,0,0,1,0,0|3,0,0]=4 4817 B16R1.932 CCCC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747444 [0,0,0,1,0,0|3,0,0]=4 4818 B16R1.932 CCCC(=O)CSCCOC1CCCCC1 62a_100000747444_100011211530 [0,0,0,1,0,0|3,0,0]=4 4819 B16R1.932 CCCC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747444 [0,0,0,1,0,0|3,0,0]=4 4820 B16R1.932 CCCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000211992 [0,0,0,1,0,0|3,0,0]=4 4821 B16R1.932 CCCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000211992 [0,0,0,1,0,0|3,0,0]=4 4822 B16R1.932 CCCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000211992 [0,0,0,1,0,0|3,0,0]=4 4823 B16R1.932 CCCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000211992 [0,0,0,1,0,0|3,0,0]=4 4824 B16R1.932 CCCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000211992 [0,0,0,1,0,0|3,0,0]=4 4825 B16R1.932 CCCC(=O)OCNCCC1CCCCC1 2230a_100000738074_100000034017 [0,0,0,1,0,0|3,0,0]=4 4826 B16R1.932 CCCC(=O)OCNCCC1CCCCC1 34a_100000738074_100000034017 [0,0,0,1,0,0|3,0,0]=4 4827 B16R1.932 CCCC(=O)OCOCCC1CCCCC1 34a_100011217863_100000034017 [0,0,0,1,0,0|3,0,0]=4 4828 B16R1.932 CCCC(=O)OCSCCC1CCCCC1 62a_100012355289_100000034017 [0,0,0,1,0,0|3,0,0]=4 4829 B16R1.932 CCNC(=O)CCCCCN1CCCCC1 11a_100015525214_100012051570 [0,0,0,1,0,0|1,0,0]=2 4830 B16R1.932 CCNC(=O)CCCCCN1CCCCC1 240690a_100015525214_100012051570 [0,0,0,1,0,0|1,0,0]=2 4831 B16R1.932 CCNC(=O)CCCCCN1CCOCC1 11a_100015525214_100012051560 [0,0,0,1,0,0|2,0,0]=3 4832 B16R1.932 CCNC(=O)CCCCCN1CCOCC1 240690a_100015525214_100012051560 [0,0,0,1,0,0|2,0,0]=3 4833 B16R1.932 CCNC(=O)CCNCCC1=CCCCC1 2230a_100000212019_100000737597 [0,0,0,1,0,0|1,0,2]=4 4834 B16R1.932 CCNC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737597 [0,0,0,1,0,0|1,0,0]=2 4835 B16R1.932 CCNC(=O)CCNCCC1CCCCC1 270004a_100025743525_100011713444 [0,0,0,1,0,0|1,0,0]=2 4836 B16R1.932 CCNC(=O)CCNCCC1CCCCC1 34a_100025743525_100011209188 [0,0,0,1,0,0|1,0,0]=2 4837 B16R1.932 CCNC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000737597 [0,0,0,1,0,0|2,0,0]=3 4838 B16R1.932 CCNC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000737597 [0,0,0,1,0,0|2,0,0]=3 4839 B16R1.932 CCNC(=O)CCNCCC1CCOCC1 34a_100025743525_100011934994 [0,0,0,1,0,0|2,0,0]=3 4840 B16R1.932 CCNC(=O)CCNCCC1OCCCO1 34a_100025743525_100000764188 [0,0,0,1,0,0|3,0,0]=4 4841 B16R1.932 CCNC(=O)CCNCCN1CCCCC1 34a_100025743525_100000739454 [0,0,0,1,0,0|2,0,0]=3 4842 B16R1.932 CCNC(=O)CCNCCN1CCSCC1 2230a_100000755026_100000737597 [0,0,0,1,0,0|3,0,0]=4 4843 B16R1.932 CCNC(=O)CCNCOC1CCCCC1 34a_100025743525_100011935260 [0,0,0,1,0,0|2,0,0]=3 4844 B16R1.932 CCNC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737597 [0,0,0,1,0,0|1,0,0]=2 4845 B16R1.932 CCNC(=O)CCOCCC1CCOCC1 7a_100011933979_100000737597 [0,0,0,1,0,0|2,0,0]=3 4846 B16R1.932 CCNC(=O)CCOCCC1SCCCS1 7a_200011025297_100000737597 [0,0,0,1,0,0|3,0,0]=4 4847 B16R1.932 CCNC(=O)CCOCCN1CCSCC1 7a_100000686052_100000737597 [0,0,0,1,0,0|3,0,0]=4 4848 B16R1.932 CCNC(=O)CCSCCC1CCCCC1 62a_100000737597_100012355289 [0,0,0,1,0,0|1,0,0]=2 4849 B16R1.932 CCNC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737597 [0,0,0,1,0,0|1,0,0]=2 4850 B16R1.932 CCNC(=O)CCSCCC1CCOCC1 62a_100000737597_100011934994 [0,0,0,1,0,0|2,0,0]=3 4851 B16R1.932 CCNC(=O)CCSCCC1CCOCC1 62a_100011934994_100000737597 [0,0,0,1,0,0|2,0,0]=3 4852 B16R1.932 CCNC(=O)CCSCCC1OCCCO1 62a_100000737597_100000764188 [0,0,0,1,0,0|3,0,0]=4 4853 B16R1.932 CCNC(=O)CCSCCC1OCCCO1 62a_100000764188_100000737597 [0,0,0,1,0,0|3,0,0]=4 4854 B16R1.932 CCNC(=O)CCSCCN1CCCCC1 62a_100000737597_100000739454 [0,0,0,1,0,0|2,0,0]=3 4855 B16R1.932 CCNC(=O)CCSCCN1CCCCC1 62a_100000739454_100000737597 [0,0,0,1,0,0|2,0,0]=3 4856 B16R1.932 CCNC(=O)CCSCCN1CCOCC1 62a_100000737597_100000211760 [0,0,0,1,0,0|3,0,0]=4 4857 B16R1.932 CCNC(=O)CCSCOC1CCCCC1 62a_100000737597_100011935260 [0,0,0,1,0,0|2,0,0]=3 4858 B16R1.932 CCNC(=O)CCSCOC1CCCCC1 62a_100011935260_100000737597 [0,0,0,1,0,0|2,0,0]=3 4859 B16R1.932 CCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183381 [0,0,0,1,0,0|1,0,0]=2 4860 B16R1.932 CCNC(=O)CNCCCC1CCCCC1 2230a_100016988866_100011713725 [0,0,0,1,0,0|1,0,0]=2 4861 B16R1.932 CCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183381 [0,0,0,1,0,0|1,0,0]=2 4862 B16R1.932 CCNC(=O)CNCCCN1CCCCC1 2230a_100016988866_100000690320 [0,0,0,1,0,0|2,0,0]=3 4863 B16R1.932 CCNC(=O)CNCCCN1CCOCC1 2230a_100016988866_100000748698 [0,0,0,1,0,0|3,0,0]=4 4864 B16R1.932 CCNC(=O)CNCCOC1CCCCC1 2230a_100016988866_100011211530 [0,0,0,1,0,0|2,0,0]=3 4865 B16R1.932 CCNC(=O)CNCCOC1CCCCC1 34a_100015206981_100000183381 [0,0,0,1,0,0|2,0,0]=3 4866 B16R1.932 CCNC(=O)CNCCOC1CCCCO1 2230a_100016988866_100000744793 [0,0,0,1,0,0|3,0,0]=4 4867 B16R1.932 CCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183381 [0,0,0,1,0,0|1,0,0]=2 4868 B16R1.932 CCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183381 [0,0,0,1,0,0|1,0,0]=2 4869 B16R1.932 CCNC(=O)COCCCC1CCCCN1 34a_100011934581_100000183381 [0,0,0,1,0,0|2,0,0]=3 4870 B16R1.932 CCNC(=O)COCCCC1CCCNC1 34a_100150707839_100000183381 [0,0,0,1,0,0|2,0,0]=3 4871 B16R1.932 CCNC(=O)COCCCC1CCNCC1 34a_100016988962_100000183381 [0,0,0,1,0,0|2,0,0]=3 4872 B16R1.932 CCNC(=O)COCCCN1CCCCC1 34a_100000212458_100000183381 [0,0,0,1,0,0|2,0,0]=3 4873 B16R1.932 CCNC(=O)COCCCN1CCOCC1 34a_100000212840_100000183381 [0,0,0,1,0,0|3,0,0]=4 4874 B16R1.932 CCNC(=O)COCCNC1CCCCC1 34a_100000200466_100000183381 [0,0,0,1,0,0|2,0,0]=3 4875 B16R1.932 CCNC(=O)COCCNC1CCOCC1 34a_100000708129_100000183381 [0,0,0,1,0,0|3,0,0]=4 4876 B16R1.932 CCNC(=O)COCCOC1CCCCC1 34a_100011249652_100000183381 [0,0,0,1,0,0|2,0,0]=3 4877 B16R1.932 CCNC(=O)COCCOC1CCCCC1 7a_100011249652_100000183381 [0,0,0,1,0,0|2,0,0]=3 4878 B16R1.932 CCNC(=O)COCCOC1CCCCO1 34a_100000034223_100000183381 [0,0,0,1,0,0|3,0,0]=4 4879 B16R1.932 CCNC(=O)COCCOC1CCCCO1 7a_100000034223_100000183381 [0,0,0,1,0,0|3,0,0]=4 4880 B16R1.932 CCNC(=O)CSCCCC1CCCCC1 62a_100000183381_100011713725 [0,0,0,1,0,0|1,0,0]=2 4881 B16R1.932 CCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183381 [0,0,0,1,0,0|1,0,0]=2 4882 B16R1.932 CCNC(=O)CSCCCN1CCCCC1 62a_100000183381_100000007876 [0,0,0,1,0,0|2,0,0]=3 4883 B16R1.932 CCNC(=O)CSCCCN1CCCCC1 62a_100132302099_100000183381 [0,0,0,1,0,0|2,0,0]=3 4884 B16R1.932 CCNC(=O)CSCCCN1CCOCC1 62a_100000183381_100000748698 [0,0,0,1,0,0|3,0,0]=4 4885 B16R1.932 CCNC(=O)CSCCOC1CCCCC1 62a_100000183381_100011211530 [0,0,0,1,0,0|2,0,0]=3 4886 B16R1.932 CCNC(=O)CSCCOC1CCCCC1 62a_100011211530_100000183381 [0,0,0,1,0,0|2,0,0]=3 4887 B16R1.932 CCNC(=O)CSCCOC1CCCCO1 62a_100000183381_100000744793 [0,0,0,1,0,0|3,0,0]=4 4888 B16R1.932 CCNC(=O)CSCCOC1CCCCO1 62a_100000744793_100000183381 [0,0,0,1,0,0|3,0,0]=4 4889 B16R1.932 CCNC(=O)NCCCCN1CCCCC1 2708a_100015525214_200011207366 [0,0,0,1,0,0|2,0,0]=3 4890 B16R1.932 CCNC(=O)NCCCCN1CCCCC1 2708a_200011207366_100015525214 [0,0,0,1,0,0|2,0,0]=3 4891 B16R1.932 CCNC(=O)NCCCCN1CCCCC1 273464a_100015525214_200011207366 [0,0,0,1,0,0|2,0,0]=3 4892 B16R1.932 CCNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100015525214 [0,0,0,1,0,0|2,0,0]=3 4893 B16R1.932 CCNC(=O)NCCCCN1CCCCC1 512a_100015525214_200011207366 [0,0,0,1,0,0|2,0,0]=3 4894 B16R1.932 CCNC(=O)NCCCCN1CCOCC1 2708a_100000740306_100015525214 [0,0,0,1,0,0|3,0,0]=4 4895 B16R1.932 CCNC(=O)NCCCCN1CCOCC1 2708a_100015525214_100000740306 [0,0,0,1,0,0|3,0,0]=4 4896 B16R1.932 CCNC(=O)NCCCCN1CCOCC1 273464a_100000740306_100015525214 [0,0,0,1,0,0|3,0,0]=4 4897 B16R1.932 CCNC(=O)NCCCCN1CCOCC1 273464a_100015525214_100000740306 [0,0,0,1,0,0|3,0,0]=4 4898 B16R1.932 CCNC(=O)NCCCCN1CCOCC1 512a_100000740306_100015525214 [0,0,0,1,0,0|3,0,0]=4 4899 B16R1.932 CCNC(=O)NCCCCN1CCOCC1 512a_100015525214_100000740306 [0,0,0,1,0,0|3,0,0]=4 4900 B16R1.932 CCNC(=O)NCCCOC1CCCCC1 2708a_100000205933_100015525214 [0,0,0,1,0,0|2,0,0]=3 4901 B16R1.932 CCNC(=O)NCCCOC1CCCCC1 2708a_100015525214_100000205933 [0,0,0,1,0,0|2,0,0]=3 4902 B16R1.932 CCNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100015525214 [0,0,0,1,0,0|2,0,0]=3 4903 B16R1.932 CCNC(=O)NCCCOC1CCCCC1 273464a_100015525214_100000205933 [0,0,0,1,0,0|2,0,0]=3 4904 B16R1.932 CCNC(=O)NCCCOC1CCCCC1 512a_100000205933_100015525214 [0,0,0,1,0,0|2,0,0]=3 4905 B16R1.932 CCNC(=O)NCCCOC1CCCCC1 512a_100015525214_100000205933 [0,0,0,1,0,0|2,0,0]=3 4906 B16R1.932 CCOC(=O)CCCCCN1CCCOC1 2230a_100000131196_100000755133 [0,0,0,1,0,0|3,0,0]=4 4907 B16R1.932 CCOC(=O)CCCCCN1CCCOC1 269982a_100000131196_100000755133 [0,0,0,1,0,0|3,0,0]=4 4908 B16R1.932 CCOC(=O)CCCCCN1CCCOC1 34a_100000131196_100000755133 [0,0,0,1,0,0|3,0,0]=4 4909 B16R1.932 CCOC(=O)CCCCCN1CCOCC1 2230a_100015191051_100000755133 [0,0,0,1,0,0|3,0,0]=4 4910 B16R1.932 CCOC(=O)CCCCCN1CCOCC1 269982a_100015191051_100000755133 [0,0,0,1,0,0|3,0,0]=4 4911 B16R1.932 CCOC(=O)CCCCCN1CCOCC1 34a_100015191051_100000755133 [0,0,0,1,0,0|3,0,0]=4 4912 B16R1.932 CCOC(=O)CCCCCN1CCSCC1 2230a_100000737611_100000755133 [0,0,0,1,0,0|3,0,0]=4 4913 B16R1.932 CCOC(=O)CCCCCN1CCSCC1 269982a_100000737611_100000755133 [0,0,0,1,0,0|3,0,0]=4 4914 B16R1.932 CCOC(=O)CCCCNC1CCCCC1 2230a_100000182618_100000750268 [0,0,0,1,0,0|2,0,0]=3 4915 B16R1.932 CCOC(=O)CCCCNC1CCCCC1 34a_100000182618_100000750268 [0,0,0,1,0,0|2,0,0]=3 4916 B16R1.932 CCOC(=O)CCCCNC1CCCOC1 2230a_100000719290_100000750268 [0,0,0,1,0,0|3,0,0]=4 4917 B16R1.932 CCOC(=O)CCCCNC1CCCOC1 34a_100000719290_100000750268 [0,0,0,1,0,0|3,0,0]=4 4918 B16R1.932 CCOC(=O)CCCCNC1CCOCC1 2230a_100000741149_100000750268 [0,0,0,1,0,0|3,0,0]=4 4919 B16R1.932 CCOC(=O)CCCCNC1CCOCC1 34a_100000741149_100000750268 [0,0,0,1,0,0|3,0,0]=4 4920 B16R1.932 CCOC(=O)CCCCNC1CCSCC1 2230a_100000748639_100000750268 [0,0,0,1,0,0|3,0,0]=4 4921 B16R1.932 CCOC(=O)CCCCNC1CCSCC1 34a_100000748639_100000750268 [0,0,0,1,0,0|3,0,0]=4 4922 B16R1.932 CCOC(=O)CCCCOC1CCCCC1 34a_100000210231_100000750268 [0,0,0,1,0,0|2,0,0]=3 4923 B16R1.932 CCOC(=O)CCCCOC1CCCCC1 7a_100000210231_100000750268 [0,0,0,1,0,0|2,0,0]=3 4924 B16R1.932 CCOC(=O)CCCCOC1CCCCO1 34a_100000033831_100000750268 [0,0,0,1,0,0|3,0,0]=4 4925 B16R1.932 CCOC(=O)CCCCOC1CCCOC1 34a_100000754041_100000750268 [0,0,0,1,0,0|3,0,0]=4 4926 B16R1.932 CCOC(=O)CCCCOC1CCCSC1 7a_100015962668_100000750268 [0,0,0,1,0,0|3,0,0]=4 4927 B16R1.932 CCOC(=O)CCCCOC1CCOCC1 34a_100000744328_100000750268 [0,0,0,1,0,0|3,0,0]=4 4928 B16R1.932 CCOC(=O)CCCCOC1CCSCC1 34a_100000731022_100000750268 [0,0,0,1,0,0|3,0,0]=4 4929 B16R1.932 CCOC(=O)CCCCOC1CCSCC1 7a_100000731022_100000750268 [0,0,0,1,0,0|3,0,0]=4 4930 B16R1.932 CCOC(=O)CCCCSC1CCCCC1 62a_100000210327_100000750268 [0,0,0,1,0,0|2,0,0]=3 4931 B16R1.932 CCOC(=O)CCCCSC1CCCCC1 62a_100000750268_100000210327 [0,0,0,1,0,0|2,0,0]=3 4932 B16R1.932 CCOC(=O)CCCCSC1CCCOC1 62a_100000750268_100000693364 [0,0,0,1,0,0|3,0,0]=4 4933 B16R1.932 CCOC(=O)CCCCSC1CCOCC1 62a_100000750268_100011324220 [0,0,0,1,0,0|3,0,0]=4 4934 B16R1.932 CCOC(=O)CCCCSC1CCSCC1 62a_100000750268_100000069128 [0,0,0,1,0,0|3,0,0]=4 4935 B16R1.932 CCOC(=O)CCCNCC1CCCCC1 2230a_100000210473_100009991533 [0,0,0,1,0,0|2,0,0]=3 4936 B16R1.932 CCOC(=O)CCCNCC1CCCCC1 34a_100000210473_100009991533 [0,0,0,1,0,0|2,0,0]=3 4937 B16R1.932 CCOC(=O)CCCNCC1CCCCO1 2230a_100000174945_100009991533 [0,0,0,1,0,0|3,0,0]=4 4938 B16R1.932 CCOC(=O)CCCNCC1CCCCO1 34a_100000174945_100009991533 [0,0,0,1,0,0|3,0,0]=4 4939 B16R1.932 CCOC(=O)CCCNCC1CCCOC1 2230a_100000720124_100009991533 [0,0,0,1,0,0|3,0,0]=4 4940 B16R1.932 CCOC(=O)CCCNCC1CCCOC1 34a_100000720124_100009991533 [0,0,0,1,0,0|3,0,0]=4 4941 B16R1.932 CCOC(=O)CCCNCC1CCOCC1 2230a_100000746373_100009991533 [0,0,0,1,0,0|3,0,0]=4 4942 B16R1.932 CCOC(=O)CCCNCC1CCOCC1 34a_100000746373_100009991533 [0,0,0,1,0,0|3,0,0]=4 4943 B16R1.932 CCOC(=O)CCCNCC1CCSCC1 2230a_100015188806_100009991533 [0,0,0,1,0,0|3,0,0]=4 4944 B16R1.932 CCOC(=O)CCCNCC1CCSCC1 34a_100015188806_100009991533 [0,0,0,1,0,0|3,0,0]=4 4945 B16R1.932 CCOC(=O)CCCOCC1CCCCC1 34a_100000212181_100009991533 [0,0,0,1,0,0|2,0,0]=3 4946 B16R1.932 CCOC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215271 [0,0,0,1,0,0|2,0,0]=3 4947 B16R1.932 CCOC(=O)CCCOCC1CCCCC1 7a_100012001163_100000211423 [0,0,0,1,0,0|2,0,0]=3 4948 B16R1.932 CCOC(=O)CCCOCC1CCCCN1 34a_100000210821_100009991533 [0,0,0,1,0,0|3,0,0]=4 4949 B16R1.932 CCOC(=O)CCCOCC1CCCCO1 34a_100000211370_100009991533 [0,0,0,1,0,0|3,0,0]=4 4950 B16R1.932 CCOC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215271 [0,0,0,1,0,0|3,0,0]=4 4951 B16R1.932 CCOC(=O)CCCOCC1CCCCO1 7a_100012001163_100000211543 [0,0,0,1,0,0|3,0,0]=4 4952 B16R1.932 CCOC(=O)CCCOCC1CCCNC1 34a_100000211344_100009991533 [0,0,0,1,0,0|3,0,0]=4 4953 B16R1.932 CCOC(=O)CCCOCC1CCCOC1 34a_100000741520_100009991533 [0,0,0,1,0,0|3,0,0]=4 4954 B16R1.932 CCOC(=O)CCCOCC1CCCOC1 7a_100012001163_100000741521 [0,0,0,1,0,0|3,0,0]=4 4955 B16R1.932 CCOC(=O)CCCOCC1CCNCC1 34a_100000738675_100009991533 [0,0,0,1,0,0|3,0,0]=4 4956 B16R1.932 CCOC(=O)CCCOCC1CCOCC1 34a_100000749013_100009991533 [0,0,0,1,0,0|3,0,0]=4 4957 B16R1.932 CCOC(=O)CCCOCC1CCOCC1 7a_100012001163_100000754603 [0,0,0,1,0,0|3,0,0]=4 4958 B16R1.932 CCOC(=O)CCCOCC1CCSCC1 34a_100000070558_100009991533 [0,0,0,1,0,0|3,0,0]=4 4959 B16R1.932 CCOC(=O)CCCOCC1CCSCC1 7a_100000070558_100011215271 [0,0,0,1,0,0|3,0,0]=4 4960 B16R1.932 CCOC(=O)CCCSCC1CCCCC1 62a_100000211423_100009991533 [0,0,0,1,0,0|2,0,0]=3 4961 B16R1.932 CCOC(=O)CCCSCC1CCCCC1 62a_100009991533_100000211423 [0,0,0,1,0,0|2,0,0]=3 4962 B16R1.932 CCOC(=O)CCCSCC1CCCCO1 62a_100000211543_100009991533 [0,0,0,1,0,0|3,0,0]=4 4963 B16R1.932 CCOC(=O)CCCSCC1CCCCO1 62a_100009991533_100000211543 [0,0,0,1,0,0|3,0,0]=4 4964 B16R1.932 CCOC(=O)CCCSCC1CCCOC1 62a_100000741521_100009991533 [0,0,0,1,0,0|3,0,0]=4 4965 B16R1.932 CCOC(=O)CCCSCC1CCCOC1 62a_100009991533_100000741521 [0,0,0,1,0,0|3,0,0]=4 4966 B16R1.932 CCOC(=O)CCCSCC1CCOCC1 62a_100000754603_100009991533 [0,0,0,1,0,0|3,0,0]=4 4967 B16R1.932 CCOC(=O)CCCSCC1CCOCC1 62a_100009991533_100000749018 [0,0,0,1,0,0|3,0,0]=4 4968 B16R1.932 CCOC(=O)CCNCCC1CCCCC1 2230a_100000738074_100011206558 [0,0,0,1,0,0|2,0,0]=3 4969 B16R1.932 CCOC(=O)CCNCCC1CCCCC1 34a_100000738074_100000765890 [0,0,0,1,0,0|2,0,0]=3 4970 B16R1.932 CCOC(=O)CCNCCC1CCCCO1 2230a_100015183643_100011206558 [0,0,0,1,0,0|3,0,0]=4 4971 B16R1.932 CCOC(=O)CCNCCC1CCCCO1 34a_100015183643_100000765890 [0,0,0,1,0,0|3,0,0]=4 4972 B16R1.932 CCOC(=O)CCNCCC1CCOCC1 2230a_100000755988_100011206558 [0,0,0,1,0,0|3,0,0]=4 4973 B16R1.932 CCOC(=O)CCNCCC1CCOCC1 34a_100000755988_100000765890 [0,0,0,1,0,0|3,0,0]=4 4974 B16R1.932 CCOC(=O)CCOCCC1CCCCC1 34a_100011217863_100000765890 [0,0,0,1,0,0|2,0,0]=3 4975 B16R1.932 CCOC(=O)CCOCCC1CCCCC1 7a_100011217863_100011206558 [0,0,0,1,0,0|2,0,0]=3 4976 B16R1.932 CCOC(=O)CCOCCC1CCCCN1 34a_100000211664_100000765890 [0,0,0,1,0,0|3,0,0]=4 4977 B16R1.932 CCOC(=O)CCOCCC1CCCNC1 34a_100000752241_100000765890 [0,0,0,1,0,0|3,0,0]=4 4978 B16R1.932 CCOC(=O)CCOCCC1CCNCC1 34a_100015190746_100000765890 [0,0,0,1,0,0|3,0,0]=4 4979 B16R1.932 CCOC(=O)CCOCCC1CCOCC1 34a_100011933979_100000765890 [0,0,0,1,0,0|3,0,0]=4 4980 B16R1.932 CCOC(=O)CCOCCC1CCOCC1 7a_100011933979_100011206558 [0,0,0,1,0,0|3,0,0]=4 4981 B16R1.932 CCOC(=O)CCSCCC1CCCCC1 62a_100000765890_100012355289 [0,0,0,1,0,0|2,0,0]=3 4982 B16R1.932 CCOC(=O)CCSCCC1CCCCC1 62a_100012355289_100000765890 [0,0,0,1,0,0|2,0,0]=3 4983 B16R1.932 CCOC(=O)CCSCCC1CCOCC1 62a_100000765890_100011934994 [0,0,0,1,0,0|3,0,0]=4 4984 B16R1.932 CCOC(=O)CCSCCC1CCOCC1 62a_100011934994_100000765890 [0,0,0,1,0,0|3,0,0]=4 4985 B16R1.932 CCOC(=O)CCSCCN1CCCCC1 62a_100000739454_100000765890 [0,0,0,1,0,0|3,0,0]=4 4986 B16R1.932 CCOC(=O)CCSCCN1CCCCC1 62a_100000765890_100000739454 [0,0,0,1,0,0|3,0,0]=4 4987 B16R1.932 CCOC(=O)CCSCOC1CCCCC1 62a_100000765890_100011935260 [0,0,0,1,0,0|3,0,0]=4 4988 B16R1.932 CCOC(=O)CCSCOC1CCCCC1 62a_100011935260_100000765890 [0,0,0,1,0,0|3,0,0]=4 4989 B16R1.932 CCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000188475 [0,0,0,1,0,0|2,0,0]=3 4990 B16R1.932 CCOC(=O)CNCCCC1CCCCC1 34a_100011211642_100000188475 [0,0,0,1,0,0|2,0,0]=3 4991 B16R1.932 CCOC(=O)CNCCOC1CCCCC1 34a_100015206981_100000188475 [0,0,0,1,0,0|3,0,0]=4 4992 B16R1.932 CCOC(=O)COCCCC1CCCCC1 34a_100000198086_100000188475 [0,0,0,1,0,0|2,0,0]=3 4993 B16R1.932 CCOC(=O)COCCCC1CCCCC1 7a_100000198086_100000188475 [0,0,0,1,0,0|2,0,0]=3 4994 B16R1.932 CCOC(=O)COCCCC1CCCCN1 34a_100011934581_100000188475 [0,0,0,1,0,0|3,0,0]=4 4995 B16R1.932 CCOC(=O)COCCCC1CCCNC1 34a_100150707839_100000188475 [0,0,0,1,0,0|3,0,0]=4 4996 B16R1.932 CCOC(=O)COCCCC1CCNCC1 34a_100016988962_100000188475 [0,0,0,1,0,0|3,0,0]=4 4997 B16R1.932 CCOC(=O)COCCCN1CCCCC1 34a_100000212458_100000188475 [0,0,0,1,0,0|3,0,0]=4 4998 B16R1.932 CCOC(=O)COCCNC1CCCCC1 2230a_100000182618_100000088970 [0,0,0,1,0,0|3,0,0]=4 4999 B16R1.932 CCOC(=O)COCCNC1CCCCC1 34a_100000182618_100000088970 [0,0,0,1,0,0|3,0,0]=4 5000 B16R1.932 CCOC(=O)COCCNC1CCCCC1 34a_100000200466_100000188475 [0,0,0,1,0,0|3,0,0]=4 5001 B16R1.932 CCOC(=O)COCCOC1CCCCC1 34a_100000210231_100000088970 [0,0,0,1,0,0|3,0,0]=4 5002 B16R1.932 CCOC(=O)COCCOC1CCCCC1 34a_100011249652_100000188475 [0,0,0,1,0,0|3,0,0]=4 5003 B16R1.932 CCOC(=O)COCCOC1CCCCC1 7a_100000210231_100000088970 [0,0,0,1,0,0|3,0,0]=4 5004 B16R1.932 CCOC(=O)COCCOC1CCCCC1 7a_100011249652_100000188475 [0,0,0,1,0,0|3,0,0]=4 5005 B16R1.932 CCOC(=O)COCCSC1CCCCC1 62a_100000088970_100000210327 [0,0,0,1,0,0|3,0,0]=4 5006 B16R1.932 CCOC(=O)COCCSC1CCCCC1 62a_100000210327_100000088970 [0,0,0,1,0,0|3,0,0]=4 5007 B16R1.932 CCOC(=O)CSCCCC1CCCCC1 62a_100000188475_100011713725 [0,0,0,1,0,0|2,0,0]=3 5008 B16R1.932 CCOC(=O)CSCCCC1CCCCC1 62a_100011713725_100000188475 [0,0,0,1,0,0|2,0,0]=3 5009 B16R1.932 CCOC(=O)CSCCCN1CCCCC1 62a_100000188475_100000007876 [0,0,0,1,0,0|3,0,0]=4 5010 B16R1.932 CCOC(=O)CSCCCN1CCCCC1 62a_100132302099_100000188475 [0,0,0,1,0,0|3,0,0]=4 5011 B16R1.932 CCOC(=O)CSCCOC1CCCCC1 62a_100000188475_100011211530 [0,0,0,1,0,0|3,0,0]=4 5012 B16R1.932 CCOC(=O)CSCCOC1CCCCC1 62a_100011211530_100000188475 [0,0,0,1,0,0|3,0,0]=4 5013 B16R1.932 CCOC(=O)CSCCOC1CCCCC1 7a_200000230590_100000210327 [0,0,0,1,0,0|3,0,0]=4 5014 B16R1.932 CCOC(=O)NCCOCC1CCCCC1 34a_100000158857_100000211423 [0,0,0,1,0,0|3,0,0]=4 5015 B16R1.932 CCOC(=O)NCCOCC1CCCCC1 7a_100000212181_200011445536 [0,0,0,1,0,0|3,0,0]=4 5016 B16R1.932 CCOC(=O)NCCSCC1CCCCC1 62a_100000211423_200011445536 [0,0,0,1,0,0|3,0,0]=4 5017 B16R1.932 CCOC(=O)OCSCCC1CCCCC1 62a_100012355289_100000075025 [0,0,0,1,0,0|3,0,0]=4 5018 B16R1.932 CNNC(=O)CCCCCN1CCCCC1 22a_100016993582_100012051570 [0,0,0,1,0,0|2,0,0]=3 5019 B16R1.932 CNNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100016993582 [0,0,0,1,0,0|3,0,0]=4 5020 B16R1.932 CNNC(=O)NCCCCN1CCCCC1 512a_100016993582_200011207366 [0,0,0,1,0,0|3,0,0]=4 5021 B16R1.932 CNNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100016993582 [0,0,0,1,0,0|3,0,0]=4 5022 B16R1.932 CNNC(=O)NCCCOC1CCCCC1 512a_100000205933_100016993582 [0,0,0,1,0,0|3,0,0]=4 5023 B16R1.932 CNNC(=O)NCCCOC1CCCCC1 512a_100016993582_100000205933 [0,0,0,1,0,0|3,0,0]=4 5024 B16R1.932 O=C(CCF)CCCCCN1CCCCC1 1458a_100012051570_100011217306 [0,0,0,1,0,0|3,0,0]=4 5025 B16R1.932 O=C(CCO)CCCCCN1CCCCC1 1458a_100012051570_100000211926 [0,0,0,1,0,0|3,0,0]=4 5026 B16R1.932 O=C(CNCCCC1CCCCC1)NCO 2230a_100011211642_100000185155 [0,0,0,1,0,0|2,0,0]=3 5027 B16R1.932 O=C(CNCCCC1CCCCC1)NCO 34a_100011211642_100000185155 [0,0,0,1,0,0|2,0,0]=3 5028 B16R1.932 O=C(CNCCOC1CCCCC1)NCO 34a_100015206981_100000185155 [0,0,0,1,0,0|3,0,0]=4 5029 B16R1.932 O=C(COCCCC1CCCCC1)NCO 34a_100000198086_100000185155 [0,0,0,1,0,0|2,0,0]=3 5030 B16R1.932 O=C(COCCCC1CCCCC1)NCO 7a_100000198086_100000185155 [0,0,0,1,0,0|2,0,0]=3 5031 B16R1.932 O=C(COCCCC1CCCCN1)NCO 34a_100011934581_100000185155 [0,0,0,1,0,0|3,0,0]=4 5032 B16R1.932 O=C(COCCCC1CCCNC1)NCO 34a_100150707839_100000185155 [0,0,0,1,0,0|3,0,0]=4 5033 B16R1.932 O=C(COCCCC1CCNCC1)NCO 34a_100016988962_100000185155 [0,0,0,1,0,0|3,0,0]=4 5034 B16R1.932 O=C(COCCCN1CCCCC1)NCO 34a_100000212458_100000185155 [0,0,0,1,0,0|3,0,0]=4 5035 B16R1.932 O=C(COCCNC1CCCCC1)NCO 34a_100000200466_100000185155 [0,0,0,1,0,0|3,0,0]=4 5036 B16R1.932 O=C(COCCOC1CCCCC1)NCO 34a_100011249652_100000185155 [0,0,0,1,0,0|3,0,0]=4 5037 B16R1.932 O=C(COCCOC1CCCCC1)NCO 7a_100011249652_100000185155 [0,0,0,1,0,0|3,0,0]=4 5038 B16R1.932 O=C(CSCCCC1CCCCC1)NCO 62a_100000185155_100011713725 [0,0,0,1,0,0|2,0,0]=3 5039 B16R1.932 O=C(CSCCCC1CCCCC1)NCO 62a_100011713725_100000185155 [0,0,0,1,0,0|2,0,0]=3 5040 B16R1.932 O=C(CSCCCN1CCCCC1)NCO 62a_100000185155_100000007876 [0,0,0,1,0,0|3,0,0]=4 5041 B16R1.932 O=C(CSCCCN1CCCCC1)NCO 62a_100132302099_100000185155 [0,0,0,1,0,0|3,0,0]=4 5042 B16R1.932 O=C(CSCCOC1CCCCC1)NCO 62a_100000185155_100011211530 [0,0,0,1,0,0|3,0,0]=4 5043 B16R1.932 O=C(CSCCOC1CCCCC1)NCO 62a_100011211530_100000185155 [0,0,0,1,0,0|3,0,0]=4 5044 B16R1.947 CCNC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000737597 [0,0,0,1,0,0|2,0,1]=4 5045 B16R1.947 CCNC(=O)CCSC1CCCCCC1=O 62a_100000737597_100000243696 [0,0,0,1,0,0|2,0,1]=4 5046 B16R1.948 CCC1CCCCN1CCNC(=O)NNC 273464a_100000755458_100016993582 [0,0,0,1,0,0|3,0,0]=4 5047 B16R1.948 CCC1CCCCN1CCNC(=O)NNC 512a_100000755458_100016993582 [0,0,0,1,0,0|3,0,0]=4 5048 B16R1.948 CCC1CCCCN1CCNC(=O)NNC 512a_100016993582_100000755458 [0,0,0,1,0,0|3,0,0]=4 5049 B16R1.948 CCCC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000747444 [0,0,0,1,0,0|3,0,0]=4 5050 B16R1.948 CCCC(=O)COCC1CCCCN1CC 7a_100000225091_100000747444 [0,0,0,1,0,0|3,0,0]=4 5051 B16R1.948 CCCC(=O)NCCN1CCCCC1CC 11a_100000755458_100000211992 [0,0,0,1,0,0|3,0,0]=4 5052 B16R1.948 CCCC(=O)NCCN1CCCCC1CC 1626a_100000755458_100000211992 [0,0,0,1,0,0|3,0,0]=4 5053 B16R1.948 CCCC(=O)NCCN1CCCCC1CC 240690a_100000755458_100000211992 [0,0,0,1,0,0|3,0,0]=4 5054 B16R1.948 CCCC(=O)NCCN1CCCCC1CC 527a_100000755458_100000211992 [0,0,0,1,0,0|3,0,0]=4 5055 B16R1.948 CCCC(=O)OCOC1CCCCC1CC 34a_100000210738_100000034017 [0,0,0,1,0,0|3,0,0]=4 5056 B16R1.948 CCN1CCCCC1CNCC(=O)NCO 2230a_100000754393_100000185155 [0,0,0,1,0,0|3,0,0]=4 5057 B16R1.948 CCN1CCCCC1CNCC(=O)NCO 34a_100000754393_100000185155 [0,0,0,1,0,0|3,0,0]=4 5058 B16R1.948 CCN1CCCCC1COCC(=O)NCO 34a_100000225091_100000185155 [0,0,0,1,0,0|3,0,0]=4 5059 B16R1.948 CCN1CCCCC1COCC(=O)NCO 7a_100000225091_100000185155 [0,0,0,1,0,0|3,0,0]=4 5060 B16R1.948 CCNC(=O)CCNC1CCCCC1CC 269862a_100025743525_100000757040 [0,0,0,1,0,0|1,0,0]=2 5061 B16R1.948 CCNC(=O)CCNC1CCCCC1CC 270004a_100025743525_100000757040 [0,0,0,1,0,0|1,0,0]=2 5062 B16R1.948 CCNC(=O)CCNC1CCCCC1CO 270004a_100025743525_100009861125 [0,0,0,1,0,0|2,0,0]=3 5063 B16R1.948 CCNC(=O)CCNC1CCCCC1OC 270004a_100025743525_100000740605 [0,0,0,1,0,0|2,0,0]=3 5064 B16R1.948 CCNC(=O)CCNC1CCOCC1CO 2230a_214813039666_100000737597 [0,0,0,1,0,0|3,0,0]=4 5065 B16R1.948 CCNC(=O)CCNC1CCOCC1OC 270004a_100025743525_100000095984 [0,0,0,1,0,0|3,0,0]=4 5066 B16R1.948 CCNC(=O)CCOC1CCCCC1CC 7a_100000210738_100000737597 [0,0,0,1,0,0|1,0,0]=2 5067 B16R1.948 CCNC(=O)CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000737597 [0,0,0,1,0,0|2,0,0]=3 5068 B16R1.948 CCNC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000183381 [0,0,0,1,0,0|2,0,0]=3 5069 B16R1.948 CCNC(=O)CNCC1CCCCN1CC 34a_100000754393_100000183381 [0,0,0,1,0,0|2,0,0]=3 5070 B16R1.948 CCNC(=O)COCC1CCCCN1CC 34a_100000225091_100000183381 [0,0,0,1,0,0|2,0,0]=3 5071 B16R1.948 CCNC(=O)COCC1CCCCN1CC 7a_100000225091_100000183381 [0,0,0,1,0,0|2,0,0]=3 5072 B16R1.948 CCNC(=O)NCCN1CCCCC1CC 2708a_100000755458_100015525214 [0,0,0,1,0,0|2,0,0]=3 5073 B16R1.948 CCNC(=O)NCCN1CCCCC1CC 2708a_100015525214_100000755458 [0,0,0,1,0,0|2,0,0]=3 5074 B16R1.948 CCNC(=O)NCCN1CCCCC1CC 273464a_100000755458_100015525214 [0,0,0,1,0,0|2,0,0]=3 5075 B16R1.948 CCNC(=O)NCCN1CCCCC1CC 273464a_100015525214_100000755458 [0,0,0,1,0,0|2,0,0]=3 5076 B16R1.948 CCNC(=O)NCCN1CCCCC1CC 512a_100000755458_100015525214 [0,0,0,1,0,0|2,0,0]=3 5077 B16R1.948 CCNC(=O)NCCN1CCCCC1CC 512a_100015525214_100000755458 [0,0,0,1,0,0|2,0,0]=3 5078 B16R1.948 CCNC(=O)NCCN1CCCCC1CO 2708a_100015525214_100011473795 [0,0,0,1,0,0|3,0,0]=4 5079 B16R1.948 CCNC(=O)NCCN1CCCCC1CO 273464a_100011473795_100015525214 [0,0,0,1,0,0|3,0,0]=4 5080 B16R1.948 CCNC(=O)NCCN1CCCCC1CO 273464a_100015525214_100011473795 [0,0,0,1,0,0|3,0,0]=4 5081 B16R1.948 CCNC(=O)NCCN1CCCCC1CO 512a_100015525214_100011473795 [0,0,0,1,0,0|3,0,0]=4 5082 B16R1.948 CCOC(=O)CCCN1CCCCC1CC 2230a_100000210034_100009991533 [0,0,0,1,0,0|2,0,0]=3 5083 B16R1.948 CCOC(=O)CCCN1CCCCC1CC 269982a_100000210034_100009991533 [0,0,0,1,0,0|2,0,0]=3 5084 B16R1.948 CCOC(=O)CCCN1CCCCC1CC 34a_100000210034_100009991533 [0,0,0,1,0,0|2,0,0]=3 5085 B16R1.948 CCOC(=O)CCCN1CCCCC1CO 2230a_100000210821_100009991533 [0,0,0,1,0,0|3,0,0]=4 5086 B16R1.948 CCOC(=O)CCCN1CCCCC1CO 269982a_100000210821_100009991533 [0,0,0,1,0,0|3,0,0]=4 5087 B16R1.948 CCOC(=O)CCCN1CCCCC1CO 34a_100000210821_100009991533 [0,0,0,1,0,0|3,0,0]=4 5088 B16R1.948 CCOC(=O)CCCN1CCOC[C@@H]1CC 2230a_100016988097_100009991533 [0,0,0,1,0,0|3,0,0]=4 5089 B16R1.948 CCOC(=O)CCCN1CCOC[C@@H]1CC 269982a_100016988097_100009991533 [0,0,0,1,0,0|3,0,0]=4 5090 B16R1.948 CCOC(=O)CCCN1CCOC[C@@H]1CC 34a_100016988097_100009991533 [0,0,0,1,0,0|3,0,0]=4 5091 B16R1.948 CCOC(=O)CCNC1CCCCC1OC 34a_100011208099_100000765890 [0,0,0,1,0,0|3,0,0]=4 5092 B16R1.948 CCOC(=O)CCOC1CCCCC1CC 34a_100000210738_100000765890 [0,0,0,1,0,0|2,0,0]=3 5093 B16R1.948 CCOC(=O)CCOC1CCCCC1CC 7a_100000210738_100011206558 [0,0,0,1,0,0|2,0,0]=3 5094 B16R1.948 CCOC(=O)CCOC1CCCCC1CN 34a_100011216029_100000765890 [0,0,0,1,0,0|3,0,0]=4 5095 B16R1.948 CCOC(=O)CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000765890 [0,0,0,1,0,0|3,0,0]=4 5096 B16R1.948 CCOC(=O)CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000765890 [0,0,0,1,0,0|3,0,0]=4 5097 B16R1.948 CCOC(=O)CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011206558 [0,0,0,1,0,0|3,0,0]=4 5098 B16R1.948 CCOC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000188475 [0,0,0,1,0,0|3,0,0]=4 5099 B16R1.948 CCOC(=O)CNCC1CCCCN1CC 34a_100000754393_100000188475 [0,0,0,1,0,0|3,0,0]=4 5100 B16R1.948 CCOC(=O)COCC1CCCCN1CC 34a_100000225091_100000188475 [0,0,0,1,0,0|3,0,0]=4 5101 B16R1.948 CCOC(=O)COCC1CCCCN1CC 7a_100000225091_100000188475 [0,0,0,1,0,0|3,0,0]=4 5102 B16R1.948 CCOC(=O)NCCN1CCCCC1CC 269982a_100000210034_200011445536 [0,0,0,1,0,0|3,0,0]=4 5103 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000211992 [0,0,0,1,0,0|3,0,0]=4 5104 B16R1.949 CCCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000211992 [0,0,0,1,0,0|3,0,0]=4 5105 B16R1.949 CCCC(=O)OCNCCCC1CCCC1 2230a_100000736752_100000034017 [0,0,0,1,0,0|3,0,0]=4 5106 B16R1.949 CCCC(=O)OCNCCCC1CCCC1 34a_100000736752_100000034017 [0,0,0,1,0,0|3,0,0]=4 5107 B16R1.949 CCCC(=O)OCOCCCC1CCCC1 34a_100011215328_100000034017 [0,0,0,1,0,0|3,0,0]=4 5108 B16R1.949 CCCC(=O)OCSCCCC1CCCC1 62a_100011713738_100000034017 [0,0,0,1,0,0|3,0,0]=4 5109 B16R1.949 CCNC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737597 [0,0,0,1,0,0|1,0,0]=2 5110 B16R1.949 CCNC(=O)CCNCCCC1CCCC1 34a_100025743525_100011713738 [0,0,0,1,0,0|1,0,0]=2 5111 B16R1.949 CCNC(=O)CCNCCCC1OCCO1 34a_100025743525_100009861162 [0,0,0,1,0,0|3,0,0]=4 5112 B16R1.949 CCNC(=O)CCNCCCN1CCCC1 34a_100025743525_100016991639 [0,0,0,1,0,0|2,0,0]=3 5113 B16R1.949 CCNC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737597 [0,0,0,1,0,0|1,0,0]=2 5114 B16R1.949 CCNC(=O)CCOCCCC1OCCO1 7a_100009871617_100000737597 [0,0,0,1,0,0|3,0,0]=4 5115 B16R1.949 CCNC(=O)CCOCCOC1CCCC1 7a_100000738311_100000737597 [0,0,0,1,0,0|2,0,0]=3 5116 B16R1.949 CCNC(=O)CCSCCCC1CCCC1 62a_100000737597_100011713738 [0,0,0,1,0,0|1,0,0]=2 5117 B16R1.949 CCNC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737597 [0,0,0,1,0,0|1,0,0]=2 5118 B16R1.949 CCNC(=O)CCSCCCC1OCCO1 62a_100000737597_100000042513 [0,0,0,1,0,0|3,0,0]=4 5119 B16R1.949 CCNC(=O)CCSCCCN1CCCC1 62a_100000737597_100011445909 [0,0,0,1,0,0|2,0,0]=3 5120 B16R1.949 CCNC(=O)CCSCCCN1CCCC1 62a_100016991639_100000737597 [0,0,0,1,0,0|2,0,0]=3 5121 B16R1.949 CCNC(=O)CNCCCCC1OCCO1 2230a_100016988866_100000034956 [0,0,0,1,0,0|3,0,0]=4 5122 B16R1.949 CCNC(=O)CNCCCOC1CCCC1 34a_100000747560_100000183381 [0,0,0,1,0,0|2,0,0]=3 5123 B16R1.949 CCNC(=O)CSCCCCC1OCCO1 62a_100000183381_100000034956 [0,0,0,1,0,0|3,0,0]=4 5124 B16R1.949 CCNC(=O)NCCCCCN1CCCC1 2708a_100011491779_100015525214 [0,0,0,1,0,0|2,0,0]=3 5125 B16R1.949 CCNC(=O)NCCCCCN1CCCC1 2708a_100015525214_100011491779 [0,0,0,1,0,0|2,0,0]=3 5126 B16R1.949 CCNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100015525214 [0,0,0,1,0,0|2,0,0]=3 5127 B16R1.949 CCNC(=O)NCCCCCN1CCCC1 273464a_100015525214_100011491779 [0,0,0,1,0,0|2,0,0]=3 5128 B16R1.949 CCNC(=O)NCCCCCN1CCCC1 512a_100015525214_100011491779 [0,0,0,1,0,0|2,0,0]=3 5129 B16R1.949 CCNC(=O)NCCOCCN1CCCC1 2708a_100011651305_100015525214 [0,0,0,1,0,0|3,0,0]=4 5130 B16R1.949 CCNC(=O)NCCOCCN1CCCC1 2708a_100015525214_100011651305 [0,0,0,1,0,0|3,0,0]=4 5131 B16R1.949 CCNC(=O)NCCOCCN1CCCC1 273464a_100011651305_100015525214 [0,0,0,1,0,0|3,0,0]=4 5132 B16R1.949 CCNC(=O)NCCOCCN1CCCC1 273464a_100015525214_100011651305 [0,0,0,1,0,0|3,0,0]=4 5133 B16R1.949 CCOC(=O)CCCCCCN1CCCC1 2230a_100000188435_100009814379 [0,0,0,1,0,0|2,0,0]=3 5134 B16R1.949 CCOC(=O)CCCCCCN1CCCC1 269982a_100000188435_100009814379 [0,0,0,1,0,0|2,0,0]=3 5135 B16R1.949 CCOC(=O)CCCCCCN1CCSC1 2230a_100011215254_100009814379 [0,0,0,1,0,0|3,0,0]=4 5136 B16R1.949 CCOC(=O)CCCCCCN1CCSC1 269982a_100011215254_100009814379 [0,0,0,1,0,0|3,0,0]=4 5137 B16R1.949 CCOC(=O)CCCCCNC1CCCC1 2230a_100000211070_100000755133 [0,0,0,1,0,0|2,0,0]=3 5138 B16R1.949 CCOC(=O)CCCCCNC1CCCC1 34a_100000211070_100000755133 [0,0,0,1,0,0|2,0,0]=3 5139 B16R1.949 CCOC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000755133 [0,0,0,1,0,0|3,0,0]=4 5140 B16R1.949 CCOC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100000755133 [0,0,0,1,0,0|3,0,0]=4 5141 B16R1.949 CCOC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100000755133 [0,0,0,1,0,0|3,0,0]=4 5142 B16R1.949 CCOC(=O)CCCCCOC1CCCC1 34a_100000210269_100000755133 [0,0,0,1,0,0|2,0,0]=3 5143 B16R1.949 CCOC(=O)CCCCCOC1CCCC1 7a_100000210269_100000755133 [0,0,0,1,0,0|2,0,0]=3 5144 B16R1.949 CCOC(=O)CCCCCOC1CCCC1 7a_100011214988_100000179811 [0,0,0,1,0,0|2,0,0]=3 5145 B16R1.949 CCOC(=O)CCCCCOC1CCCO1 34a_100000085407_100000755133 [0,0,0,1,0,0|3,0,0]=4 5146 B16R1.949 CCOC(=O)CCCCCOC1CCOC1 7a_100011214988_100000731011 [0,0,0,1,0,0|3,0,0]=4 5147 B16R1.949 CCOC(=O)CCCCCOC1CCSC1 7a_100011232664_100000755133 [0,0,0,1,0,0|3,0,0]=4 5148 B16R1.949 CCOC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100000755133 [0,0,0,1,0,0|3,0,0]=4 5149 B16R1.949 CCOC(=O)CCCCCSC1CCCC1 62a_100000755133_100000179811 [0,0,0,1,0,0|2,0,0]=3 5150 B16R1.949 CCOC(=O)CCCCCSC1CCCC1 62a_100011217020_100000755133 [0,0,0,1,0,0|2,0,0]=3 5151 B16R1.949 CCOC(=O)CCCCCSC1CCOC1 62a_100000755133_100000690089 [0,0,0,1,0,0|3,0,0]=4 5152 B16R1.949 CCOC(=O)CCCCNCC1CCCC1 2230a_100000737975_100000750268 [0,0,0,1,0,0|2,0,0]=3 5153 B16R1.949 CCOC(=O)CCCCNCC1CCCC1 34a_100000737975_100000750268 [0,0,0,1,0,0|2,0,0]=3 5154 B16R1.949 CCOC(=O)CCCCNCC1CCOC1 2230a_100000737293_100000750268 [0,0,0,1,0,0|3,0,0]=4 5155 B16R1.949 CCOC(=O)CCCCNCC1CCOC1 34a_100000737293_100000750268 [0,0,0,1,0,0|3,0,0]=4 5156 B16R1.949 CCOC(=O)CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000750268 [0,0,0,1,0,0|3,0,0]=4 5157 B16R1.949 CCOC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100000750268 [0,0,0,1,0,0|3,0,0]=4 5158 B16R1.949 CCOC(=O)CCCCOCC1CCCC1 34a_100000742336_100000750268 [0,0,0,1,0,0|2,0,0]=3 5159 B16R1.949 CCOC(=O)CCCCOCC1CCCC1 7a_100000742336_100000750268 [0,0,0,1,0,0|2,0,0]=3 5160 B16R1.949 CCOC(=O)CCCCOCC1CCCO1 34a_100000210270_100000750268 [0,0,0,1,0,0|3,0,0]=4 5161 B16R1.949 CCOC(=O)CCCCOCC1CCCO1 7a_100000210270_100000750268 [0,0,0,1,0,0|3,0,0]=4 5162 B16R1.949 CCOC(=O)CCCCOCC1CCNC1 34a_100000748654_100000750268 [0,0,0,1,0,0|3,0,0]=4 5163 B16R1.949 CCOC(=O)CCCCOCC1CCOC1 34a_100000740260_100000750268 [0,0,0,1,0,0|3,0,0]=4 5164 B16R1.949 CCOC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100000750268 [0,0,0,1,0,0|3,0,0]=4 5165 B16R1.949 CCOC(=O)CCCCSCC1CCCC1 62a_100000740388_100000750268 [0,0,0,1,0,0|2,0,0]=3 5166 B16R1.949 CCOC(=O)CCCCSCC1CCCC1 62a_100000750268_100000740388 [0,0,0,1,0,0|2,0,0]=3 5167 B16R1.949 CCOC(=O)CCCCSCC1CCCO1 62a_100000203698_100000750268 [0,0,0,1,0,0|3,0,0]=4 5168 B16R1.949 CCOC(=O)CCCCSCC1CCCO1 62a_100000750268_100000203698 [0,0,0,1,0,0|3,0,0]=4 5169 B16R1.949 CCOC(=O)CCCCSCC1CCOC1 62a_100000702531_100000750268 [0,0,0,1,0,0|3,0,0]=4 5170 B16R1.949 CCOC(=O)CCCCSCC1CCOC1 62a_100000750268_100000702531 [0,0,0,1,0,0|3,0,0]=4 5171 B16R1.949 CCOC(=O)CCCNCCC1CCCC1 2230a_100000739158_100009991533 [0,0,0,1,0,0|2,0,0]=3 5172 B16R1.949 CCOC(=O)CCCNCCC1CCCC1 34a_100000739158_100009991533 [0,0,0,1,0,0|2,0,0]=3 5173 B16R1.949 CCOC(=O)CCCOCCC1CCCC1 34a_100000749090_100009991533 [0,0,0,1,0,0|2,0,0]=3 5174 B16R1.949 CCOC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215271 [0,0,0,1,0,0|2,0,0]=3 5175 B16R1.949 CCOC(=O)CCCOCCC1CCCC1 7a_100012001163_100000760354 [0,0,0,1,0,0|2,0,0]=3 5176 B16R1.949 CCOC(=O)CCCOCCC1CCNC1 34a_100016987287_100009991533 [0,0,0,1,0,0|3,0,0]=4 5177 B16R1.949 CCOC(=O)CCCOCCC1CCOC1 34a_100011879284_100009991533 [0,0,0,1,0,0|3,0,0]=4 5178 B16R1.949 CCOC(=O)CCCOCCN1CCCC1 7a_100012001163_100000004467 [0,0,0,1,0,0|3,0,0]=4 5179 B16R1.949 CCOC(=O)CCCSCCC1CCCC1 62a_100000760354_100009991533 [0,0,0,1,0,0|2,0,0]=3 5180 B16R1.949 CCOC(=O)CCCSCCC1CCCC1 62a_100009991533_100000760354 [0,0,0,1,0,0|2,0,0]=3 5181 B16R1.949 CCOC(=O)CCCSCCN1CCCC1 62a_100000700749_100009991533 [0,0,0,1,0,0|3,0,0]=4 5182 B16R1.949 CCOC(=O)CCCSCCN1CCCC1 62a_100009991533_100000004467 [0,0,0,1,0,0|3,0,0]=4 5183 B16R1.949 CCOC(=O)CCNCCCC1CCCC1 2230a_100000736752_100011206558 [0,0,0,1,0,0|2,0,0]=3 5184 B16R1.949 CCOC(=O)CCNCCCC1CCCC1 34a_100000736752_100000765890 [0,0,0,1,0,0|2,0,0]=3 5185 B16R1.949 CCOC(=O)CCNCCOC1CCCC1 34a_100000741755_100000765890 [0,0,0,1,0,0|3,0,0]=4 5186 B16R1.949 CCOC(=O)CCOCCCC1CCCC1 34a_100011215328_100000765890 [0,0,0,1,0,0|2,0,0]=3 5187 B16R1.949 CCOC(=O)CCOCCCC1CCCC1 7a_100011215328_100011206558 [0,0,0,1,0,0|2,0,0]=3 5188 B16R1.949 CCOC(=O)CCOCCNC1CCCC1 34a_200000200444_100000765890 [0,0,0,1,0,0|3,0,0]=4 5189 B16R1.949 CCOC(=O)CCOCCOC1CCCC1 34a_100000738311_100000765890 [0,0,0,1,0,0|3,0,0]=4 5190 B16R1.949 CCOC(=O)CCOCCOC1CCCC1 7a_100000738311_100011206558 [0,0,0,1,0,0|3,0,0]=4 5191 B16R1.949 CCOC(=O)CCSCCCC1CCCC1 62a_100000765890_100011713738 [0,0,0,1,0,0|2,0,0]=3 5192 B16R1.949 CCOC(=O)CCSCCCC1CCCC1 62a_100011713738_100000765890 [0,0,0,1,0,0|2,0,0]=3 5193 B16R1.949 CCOC(=O)CCSCCCN1CCCC1 62a_100000765890_100011445909 [0,0,0,1,0,0|3,0,0]=4 5194 B16R1.949 CCOC(=O)CCSCCCN1CCCC1 62a_100016991639_100000765890 [0,0,0,1,0,0|3,0,0]=4 5195 B16R1.949 CCOC(=O)CNCCCOC1CCCC1 34a_100000747560_100000188475 [0,0,0,1,0,0|3,0,0]=4 5196 B16R1.949 CCOC(=O)COCCCNC1CCCC1 2230a_100000211070_100009893628 [0,0,0,1,0,0|3,0,0]=4 5197 B16R1.949 CCOC(=O)COCCCNC1CCCC1 34a_100000211070_100009893628 [0,0,0,1,0,0|3,0,0]=4 5198 B16R1.949 CCOC(=O)COCCCOC1CCCC1 34a_100000210269_100009893628 [0,0,0,1,0,0|3,0,0]=4 5199 B16R1.949 CCOC(=O)COCCCOC1CCCC1 7a_100000210269_100009893628 [0,0,0,1,0,0|3,0,0]=4 5200 B16R1.949 CCOC(=O)COCCCSC1CCCC1 62a_100009893628_100000179811 [0,0,0,1,0,0|3,0,0]=4 5201 B16R1.949 CCOC(=O)COCCCSC1CCCC1 62a_100011217020_100009893628 [0,0,0,1,0,0|3,0,0]=4 5202 B16R1.949 CCOC(=O)COCCNCC1CCCC1 2230a_100000737975_100000088970 [0,0,0,1,0,0|3,0,0]=4 5203 B16R1.949 CCOC(=O)COCCNCC1CCCC1 34a_100000737975_100000088970 [0,0,0,1,0,0|3,0,0]=4 5204 B16R1.949 CCOC(=O)COCCOCC1CCCC1 34a_100000742336_100000088970 [0,0,0,1,0,0|3,0,0]=4 5205 B16R1.949 CCOC(=O)COCCOCC1CCCC1 7a_100000742336_100000088970 [0,0,0,1,0,0|3,0,0]=4 5206 B16R1.949 CCOC(=O)COCCSCC1CCCC1 62a_100000088970_100000740388 [0,0,0,1,0,0|3,0,0]=4 5207 B16R1.949 CCOC(=O)COCCSCC1CCCC1 62a_100000740388_100000088970 [0,0,0,1,0,0|3,0,0]=4 5208 B16R1.949 CCOC(=O)CSCCOCC1CCCC1 7a_200000230590_100000740388 [0,0,0,1,0,0|3,0,0]=4 5209 B16R1.949 CCOC(=O)NCCOCCC1CCCC1 34a_100000158857_100000760354 [0,0,0,1,0,0|3,0,0]=4 5210 B16R1.949 CCOC(=O)NCCOCCC1CCCC1 7a_100000749090_200011445536 [0,0,0,1,0,0|3,0,0]=4 5211 B16R1.949 CCOC(=O)NCCSCCC1CCCC1 62a_100000760354_200011445536 [0,0,0,1,0,0|3,0,0]=4 5212 B16R1.949 CCOC(=O)OCSCCCC1CCCC1 62a_100011713738_100000075025 [0,0,0,1,0,0|3,0,0]=4 5213 B16R1.949 CNNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100016993582 [0,0,0,1,0,0|3,0,0]=4 5214 B16R1.949 CNNC(=O)NCCCCCN1CCCC1 512a_100016993582_100011491779 [0,0,0,1,0,0|3,0,0]=4 5215 B16R1.949 O=C(CNCCCOC1CCCC1)NCO 34a_100000747560_100000185155 [0,0,0,1,0,0|3,0,0]=4 5216 B16R1.1193 BrCCCCCCCCOCC1=NCCN1 34a_100009813846_100000737910 [0,0,0,1,0,0|3,0,0]=4 5217 B16R1.1193 BrCCCCCCCCOCC1=NCCN1 7a_100009813846_100000737910 [0,0,0,1,0,0|3,0,0]=4 5218 B16R1.1193 CCCCCCCCCCCN1CCCC1 2230a_100000188435_100011215454 [0,0,0,1,0,0|3,0,0]=4 5219 B16R1.1193 CCCCCCCCCCCN1CCCC1 269982a_100000188435_100011215454 [0,0,0,1,0,0|3,0,0]=4 5220 B16R1.1193 CCCCCCCCCNCC1=NCCN1 34a_100000212291_100000737910 [0,0,0,1,0,0|2,0,0]=3 5221 B16R1.1193 CCCCCCCCCOCC1=NCCN1 34a_100000210712_100000737910 [0,0,0,1,0,0|2,0,0]=3 5222 B16R1.1193 CCCCCCCCCOCC1=NCCN1 7a_100000210712_100000737910 [0,0,0,1,0,0|2,0,0]=3 5223 B16R1.1193 CCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100011214924 [0,0,0,1,0,0|2,0,1]=4 5224 B16R1.1193 CCCCCCCCCSCC1=NCCN1 62a_100000737910_100000210670 [0,0,0,1,0,0|2,0,0]=3 5225 B16R1.1193 CCCCCCOCCOCC1=NCCN1 34a_100000691444_100000737910 [0,0,0,1,0,0|3,0,0]=4 5226 B16R1.1193 CCCCCCOCCOCC1=NCCN1 7a_100000691444_100000737910 [0,0,0,1,0,0|3,0,0]=4 5227 B16R1.1193 CCCCNCCCCOCC1=NCCN1 34a_200011216965_100000737910 [0,0,0,1,0,0|3,0,0]=4 5228 B16R1.1193 CCCCOCCCCOCC1=NCCN1 34a_200000760531_100000737910 [0,0,0,1,0,0|3,0,0]=4 5229 B16R1.1193 CCCCOCCCCOCC1=NCCN1 7a_200000760531_100000737910 [0,0,0,1,0,0|3,0,0]=4 5230 B16R1.1193 ClCCCCCCCCOCC1=NCCN1 34a_100000033203_100000737910 [0,0,0,1,0,0|3,0,0]=4 5231 B16R1.1193 ClCCCCCCCCOCC1=NCCN1 7a_100000033203_100000737910 [0,0,0,1,0,0|3,0,0]=4 5232 B16R1.1193 NCCCCCCCCOCC1=NCCN1 34a_102515433106_100000737910 [0,0,0,1,0,0|3,0,0]=4 5233 B16R1.1193 OCCCCCCCCNCC1=NCCN1 34a_102515433106_100000737910 [0,0,0,1,0,0|3,0,0]=4 5234 B16R1.1193 OCCCCCCCCSCC1=NCCN1 62a_100000033203_100000737910 [0,0,0,1,0,0|3,0,0]=4 5235 B16R1.1193 OCCCCCCCCSCC1=NCCN1 62a_100000737910_100000033203 [0,0,0,1,0,0|3,0,0]=4 5236 B16R1.1269 CCCCC1C=CCN1CCC(=O)NCC 2230a_100015184376_100000737597 [0,0,0,1,0,0|1,0,2]=4 5237 B16R1.1269 CCCCC1C=CCN1CCC(=O)NCC 269982a_100015184376_100000737597 [0,0,0,1,0,0|1,0,2]=4 5238 B16R1.1269 CCCCC1CCCC1NCC(=O)NCC 270004a_100016988866_100000750825 [0,0,0,1,0,0|1,0,0]=2 5239 B16R1.1269 CCNC(=O)CNC1CCCC1CCC#N 270004a_100016988866_100000073560 [0,0,0,1,0,0|2,0,1]=4 5240 B16R1.2034 CC=CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210699 [0,0,0,1,0,0|2,0,1]=4 5241 B16R1.2034 CC=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210699 [0,0,0,1,0,0|2,0,1]=4 5242 B16R1.2034 CC=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210699 [0,0,0,1,0,0|2,0,1]=4 5243 B16R1.2034 CCCC(=O)COCC1CCCCCCC1 7a_100011216312_100000747444 [0,0,0,1,0,0|2,0,0]=3 5244 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000211992 [0,0,0,1,0,0|2,0,0]=3 5245 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000211992 [0,0,0,1,0,0|2,0,0]=3 5246 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000211992 [0,0,0,1,0,0|2,0,0]=3 5247 B16R1.2034 CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000211992 [0,0,0,1,0,0|2,0,0]=3 5248 B16R1.2034 CCCC(=O)OCNC1CCCCCCC1 2230a_100000211152_100000034017 [0,0,0,1,0,0|3,0,0]=4 5249 B16R1.2034 CCCC(=O)OCNC1CCCCCCC1 34a_100000211152_100000034017 [0,0,0,1,0,0|3,0,0]=4 5250 B16R1.2034 CCCC(=O)OCOC1CCCCCCC1 34a_100000210054_100000034017 [0,0,0,1,0,0|3,0,0]=4 5251 B16R1.2034 CCNC(=O)CCNC1CC/C=C\CCC1 34a_100025743525_100021000466 [0,0,0,1,0,0|1,0,2]=4 5252 B16R1.2034 CCNC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737597 [0,0,0,1,0,0|1,0,0]=2 5253 B16R1.2034 CCNC(=O)CCNC1CCCCCCC1 270004a_100025743525_100000210524 [0,0,0,1,0,0|1,0,0]=2 5254 B16R1.2034 CCNC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737597 [0,0,0,1,0,0|1,0,0]=2 5255 B16R1.2034 CCNC(=O)CCSC1CC/C=C\CCC1 62a_100000737597_100021000466 [0,0,0,1,0,0|1,0,2]=4 5256 B16R1.2034 CCNC(=O)CCSC1CC/C=C\CCC1 62a_100021000466_100000737597 [0,0,0,1,0,0|1,0,2]=4 5257 B16R1.2034 CCNC(=O)CNCC1CC/C=C\CCC1 2230a_100102730862_100000183381 [0,0,0,1,0,0|1,0,2]=4 5258 B16R1.2034 CCNC(=O)CNCC1CC/C=C\CCC1 34a_100102730862_100000183381 [0,0,0,1,0,0|1,0,2]=4 5259 B16R1.2034 CCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183381 [0,0,0,1,0,0|1,0,0]=2 5260 B16R1.2034 CCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183381 [0,0,0,1,0,0|1,0,0]=2 5261 B16R1.2034 CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100015525214 [0,0,0,1,0,0|1,0,0]=2 5262 B16R1.2034 CCNC(=O)NCCC1CCCCCCC1 2708a_100015525214_100011532352 [0,0,0,1,0,0|1,0,0]=2 5263 B16R1.2034 CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100015525214 [0,0,0,1,0,0|1,0,0]=2 5264 B16R1.2034 CCNC(=O)NCCC1CCCCCCC1 273464a_100015525214_100011532352 [0,0,0,1,0,0|1,0,0]=2 5265 B16R1.2034 CCNC(=O)NCCC1CCCCCCC1 512a_100015525214_100011532352 [0,0,0,1,0,0|1,0,0]=2 5266 B16R1.2034 CCOC(=O)CCCN1CCCCCCC1 2230a_100000211400_100009991533 [0,0,0,1,0,0|2,0,0]=3 5267 B16R1.2034 CCOC(=O)CCCN1CCCCCCC1 269982a_100000211400_100009991533 [0,0,0,1,0,0|2,0,0]=3 5268 B16R1.2034 CCOC(=O)CCCN1CCCCCCC1 34a_100000211400_100009991533 [0,0,0,1,0,0|2,0,0]=3 5269 B16R1.2034 CCOC(=O)CCNC1CCCCCCC1 2230a_100000211152_100011206558 [0,0,0,1,0,0|2,0,0]=3 5270 B16R1.2034 CCOC(=O)CCNC1CCCCCCC1 34a_100000211152_100000765890 [0,0,0,1,0,0|2,0,0]=3 5271 B16R1.2034 CCOC(=O)CCOC1CCCCCCC1 34a_100000210054_100000765890 [0,0,0,1,0,0|2,0,0]=3 5272 B16R1.2034 CCOC(=O)CCOC1CCCCCCC1 7a_100000210054_100011206558 [0,0,0,1,0,0|2,0,0]=3 5273 B16R1.2034 CCOC(=O)COCC1CCCCCCC1 34a_100011216312_100000188475 [0,0,0,1,0,0|2,0,0]=3 5274 B16R1.2034 CCOC(=O)COCC1CCCCCCC1 7a_100011216312_100000188475 [0,0,0,1,0,0|2,0,0]=3 5275 B16R1.2034 CCOC(=O)NCCN1CCCCCCC1 269982a_100000211400_200011445536 [0,0,0,1,0,0|3,0,0]=4 5276 B16R1.2034 CNNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100016993582 [0,0,0,1,0,0|2,0,0]=3 5277 B16R1.2034 CNNC(=O)NCCC1CCCCCCC1 512a_100016993582_100011532352 [0,0,0,1,0,0|2,0,0]=3 5278 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210968 [0,0,0,1,0,0|3,0,0]=4 5279 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210968 [0,0,0,1,0,0|3,0,0]=4 5280 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210968 [0,0,0,1,0,0|3,0,0]=4 5281 B16R1.2034 COCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210968 [0,0,0,1,0,0|3,0,0]=4 5282 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000184570 [0,0,0,1,0,0|3,0,0]=4 5283 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000184570 [0,0,0,1,0,0|3,0,0]=4 5284 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000184570 [0,0,0,1,0,0|3,0,0]=4 5285 B16R1.2034 CSCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000184570 [0,0,0,1,0,0|3,0,0]=4 5286 B16R1.2034 O=C(CCO)NCCC1CCCCCCC1 240690a_100011532352_100011216618 [0,0,0,1,0,0|3,0,0]=4 5287 B16R1.2034 O=C(COCC1CCCCCCC1)NCO 34a_100011216312_100000185155 [0,0,0,1,0,0|2,0,0]=3 5288 B16R1.2034 O=C(COCC1CCCCCCC1)NCO 7a_100011216312_100000185155 [0,0,0,1,0,0|2,0,0]=3 5289 B16R1.4433 CCOC(=O)CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009814379 [0,0,0,1,0,0|3,0,0]=4 5290 B16R1.4433 CCOC(=O)CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009814379 [0,0,0,1,0,0|3,0,0]=4 5291 B16R1.4433 CCOC(=O)CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009814379 [0,0,0,1,0,0|3,0,0]=4 5292 B16R1.4433 CCOC(=O)CCCCCOCC1CC1C 34a_100000744939_100000755133 [0,0,0,1,0,0|2,0,0]=3 5293 B16R1.4433 CCOC(=O)CCCCCOCC1CC1C 7a_100000744939_100000755133 [0,0,0,1,0,0|2,0,0]=3 5294 B16R1.4433 CCOC(=O)COCCCOCC1CC1C 34a_100000744939_100009893628 [0,0,0,1,0,0|3,0,0]=4 5295 B16R1.4433 CCOC(=O)COCCCOCC1CC1C 7a_100000744939_100009893628 [0,0,0,1,0,0|3,0,0]=4 5296 B16R1.4434 CCOC(=O)CCCCCCCN1CCC1 269982a_100000754969_100009991516 [0,0,0,1,0,0|2,0,0]=3 5297 B16R1.4434 CCOC(=O)CCCCCCNC1CCC1 2230a_100000749019_100009814379 [0,0,0,1,0,0|2,0,0]=3 5298 B16R1.4434 CCOC(=O)CCCCCCNC1CCC1 34a_100000749019_100009814379 [0,0,0,1,0,0|2,0,0]=3 5299 B16R1.4434 CCOC(=O)CCCCCCNC1COC1 2230a_100016991112_100009814379 [0,0,0,1,0,0|3,0,0]=4 5300 B16R1.4434 CCOC(=O)CCCCCCOC1CCC1 34a_100000748187_100009814379 [0,0,0,1,0,0|2,0,0]=3 5301 B16R1.4434 CCOC(=O)CCCCCCOC1CSC1 7a_100000072292_100009814379 [0,0,0,1,0,0|3,0,0]=4 5302 B16R1.4434 CCOC(=O)CCCCCNCC1CCC1 2230a_100000738700_100000755133 [0,0,0,1,0,0|2,0,0]=3 5303 B16R1.4434 CCOC(=O)CCCCCNCC1CCC1 34a_100000738700_100000755133 [0,0,0,1,0,0|2,0,0]=3 5304 B16R1.4434 CCOC(=O)CCCCCNCC1COC1 2230a_100015281925_100000755133 [0,0,0,1,0,0|3,0,0]=4 5305 B16R1.4434 CCOC(=O)CCCCCNCC1COC1 34a_100015281925_100000755133 [0,0,0,1,0,0|3,0,0]=4 5306 B16R1.4434 CCOC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000755133 [0,0,0,1,0,0|3,0,0]=4 5307 B16R1.4434 CCOC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100000755133 [0,0,0,1,0,0|3,0,0]=4 5308 B16R1.4434 CCOC(=O)CCCCCOCC1CCC1 34a_100000760304_100000755133 [0,0,0,1,0,0|2,0,0]=3 5309 B16R1.4434 CCOC(=O)CCCCCOCC1CCC1 7a_100011214988_100000763275 [0,0,0,1,0,0|2,0,0]=3 5310 B16R1.4434 CCOC(=O)CCCCCOCC1CCO1 34a_100000039022_100000755133 [0,0,0,1,0,0|3,0,0]=4 5311 B16R1.4434 CCOC(=O)CCCCCOCC1CCO1 7a_100011214988_100000103362 [0,0,0,1,0,0|3,0,0]=4 5312 B16R1.4434 CCOC(=O)CCCCCOCC1CNC1 34a_100016987283_100000755133 [0,0,0,1,0,0|3,0,0]=4 5313 B16R1.4434 CCOC(=O)CCCCCOCC1COC1 34a_100000060846_100000755133 [0,0,0,1,0,0|3,0,0]=4 5314 B16R1.4434 CCOC(=O)CCCCCOCC1COC1 7a_100011214988_100010264016 [0,0,0,1,0,0|3,0,0]=4 5315 B16R1.4434 CCOC(=O)CCCCCSCC1CCC1 62a_100000755133_100000763275 [0,0,0,1,0,0|2,0,0]=3 5316 B16R1.4434 CCOC(=O)CCCCCSCC1CCC1 62a_100000763275_100000755133 [0,0,0,1,0,0|2,0,0]=3 5317 B16R1.4434 CCOC(=O)CCCCCSCC1CCO1 62a_100000103362_100000755133 [0,0,0,1,0,0|3,0,0]=4 5318 B16R1.4434 CCOC(=O)CCCCCSCC1CCO1 62a_100000755133_100000103362 [0,0,0,1,0,0|3,0,0]=4 5319 B16R1.4434 CCOC(=O)CCCCCSCC1COC1 62a_100000755133_100010264016 [0,0,0,1,0,0|3,0,0]=4 5320 B16R1.4434 CCOC(=O)CCCCCSCC1COC1 62a_100010264016_100000755133 [0,0,0,1,0,0|3,0,0]=4 5321 B16R1.4434 CCOC(=O)CCCCOCCC1COC1 34a_100009855314_100000750268 [0,0,0,1,0,0|3,0,0]=4 5322 B16R1.4434 CCOC(=O)COCCCNCC1CCC1 2230a_100000738700_100009893628 [0,0,0,1,0,0|3,0,0]=4 5323 B16R1.4434 CCOC(=O)COCCCNCC1CCC1 34a_100000738700_100009893628 [0,0,0,1,0,0|3,0,0]=4 5324 B16R1.4434 CCOC(=O)COCCCOCC1CCC1 34a_100000760304_100009893628 [0,0,0,1,0,0|3,0,0]=4 5325 B16R1.4434 CCOC(=O)COCCCSCC1CCC1 62a_100000763275_100009893628 [0,0,0,1,0,0|3,0,0]=4 5326 B16R1.4434 CCOC(=O)COCCCSCC1CCC1 62a_100009893628_100000763275 [0,0,0,1,0,0|3,0,0]=4 5327 B16R1.4695 CCCCCCCCNC1CC(=O)NC1=O 2230a_100102712934_100000210759 [0,0,0,1,0,0|2,0,1]=4 5328 B16R1.6680 C#CCCCCCCCNC1CCNC1=O 2230a_100016995588_100153394163 [0,0,0,1,0,0|1,0,2]=4 5329 B16R1.6680 C#CCCCCCCCNC1CCNC1=O 34a_100016995588_100153394163 [0,0,0,1,0,0|1,0,2]=4 5330 B16R1.6680 C#CCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100153394163 [0,0,0,1,0,0|1,0,2]=4 5331 B16R1.6680 C#CCCCCCCOCC1CCNC1=O 34a_100000133458_100012276617 [0,0,0,1,0,0|1,0,2]=4 5332 B16R1.6680 C=CCCCCCCCNC1CCNC1=O 2230a_100016995588_100012355270 [0,0,0,1,0,0|1,0,2]=4 5333 B16R1.6680 C=CCCCCCCCNC1CCNC1=O 34a_100016995588_100012355270 [0,0,0,1,0,0|1,0,2]=4 5334 B16R1.6680 C=CCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100012355270 [0,0,0,1,0,0|1,0,2]=4 5335 B16R1.6680 C=CCCCCCCOCC1CCNC1=O 34a_100000133458_100011215473 [0,0,0,1,0,0|1,0,2]=4 5336 B16R1.6680 CCCCC#CCCCNC1CCNC1=O 2230a_100016995588_200000047210 [0,0,0,1,0,0|1,0,2]=4 5337 B16R1.6680 CCCCC#CCCCNC1CCNC1=O 34a_100016995588_200000047210 [0,0,0,1,0,0|1,0,2]=4 5338 B16R1.6680 CCCCC#CCCCO[C@H]1CCNC1=O 34a_100000688343_200000047210 [0,0,0,1,0,0|1,0,2]=4 5339 B16R1.6680 CCCCCC#CCOCC1CCNC1=O 34a_100000133458_100009816472 [0,0,0,1,0,0|1,0,2]=4 5340 B16R1.6680 CCCCCCCCCNC1CCCC1=O 2230a_100000212291_100000211823 [0,0,0,1,0,0|2,0,0]=3 5341 B16R1.6680 CCCCCCCCCNC1CCCC1=O 34a_100000212291_100000709159 [0,0,0,1,0,0|2,0,0]=3 5342 B16R1.6680 CCCCCCCCCNC1CCNC1=O 2230a_100016995588_100011214924 [0,0,0,1,0,0|1,0,0]=2 5343 B16R1.6680 CCCCCCCCCNC1CCNC1=O 34a_100016995588_100011214924 [0,0,0,1,0,0|1,0,0]=2 5344 B16R1.6680 CCCCCCCCCNC1CCOC1=O 2230a_100000212291_100000211211 [0,0,0,1,0,0|2,0,0]=3 5345 B16R1.6680 CCCCCCCCCNC1CCOC1=O 34a_100000212291_100000211211 [0,0,0,1,0,0|2,0,0]=3 5346 B16R1.6680 CCCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100011214924 [0,0,0,1,0,0|2,0,0]=3 5347 B16R1.6680 CCCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100011214924 [0,0,0,1,0,0|2,0,0]=3 5348 B16R1.6680 CCCCCCCCCOC1CCCC1=O 34a_100000210712_100000709159 [0,0,0,1,0,0|2,0,0]=3 5349 B16R1.6680 CCCCCCCCCOC1CCCC1=O 34a_200000719330_100011214924 [0,0,0,1,0,0|2,0,0]=3 5350 B16R1.6680 CCCCCCCCCOC1CCCC1=O 7a_100000210712_100000211823 [0,0,0,1,0,0|2,0,0]=3 5351 B16R1.6680 CCCCCCCCCOC1CCOC1=O 34a_100000210712_100000211211 [0,0,0,1,0,0|2,0,0]=3 5352 B16R1.6680 CCCCCCCCCOC1CCOC1=O 7a_100000210712_100000211211 [0,0,0,1,0,0|2,0,0]=3 5353 B16R1.6680 CCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011214924 [0,0,0,1,0,0|1,0,0]=2 5354 B16R1.6680 CCCCCCCCCSC1CCCC1=O 62a_100000211823_100000210670 [0,0,0,1,0,0|2,0,0]=3 5355 B16R1.6680 CCCCCCCCCSC1CCOC1=O 62a_100000211211_100000210670 [0,0,0,1,0,0|2,0,0]=3 5356 B16R1.6680 CCCCCCCCOCC1CCNC1=O 34a_100000133458_100000210759 [0,0,0,1,0,0|1,0,0]=2 5357 B16R1.6680 CCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210317 [0,0,0,1,0,0|3,0,0]=4 5358 B16R1.6680 CCCCCCCCSCN1CCCC1=O 62a_100000210759_100000026320 [0,0,0,1,0,0|3,0,0]=4 5359 B16R1.6680 CCCCCCCNCCN1CCCC1=O 2230a_100000229938_100000739059 [0,0,0,1,0,0|3,0,0]=4 5360 B16R1.6680 CCCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210681 [0,0,0,1,0,0|3,0,0]=4 5361 B16R1.6680 CCCCCCCNCCN1CCNC1=O 2230a_100000229938_100000090651 [0,0,0,1,0,0|2,0,0]=3 5362 B16R1.6680 CCCCCCCNCCN1CCNC1=O 2230a_100011207550_100000210681 [0,0,0,1,0,0|2,0,0]=3 5363 B16R1.6680 CCCCCCCOCCN1CCCC1=O 34a_100000210272_100000739059 [0,0,0,1,0,0|3,0,0]=4 5364 B16R1.6680 CCCCCCCOCCN1CCCC1=O 34a_100000211209_100000210614 [0,0,0,1,0,0|3,0,0]=4 5365 B16R1.6680 CCCCCCCOCCN1CCCC1=O 7a_100000210272_100000739059 [0,0,0,1,0,0|3,0,0]=4 5366 B16R1.6680 CCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210614 [0,0,0,1,0,0|3,0,0]=4 5367 B16R1.6680 CCCCCCCOCCN1CCNC1=O 34a_100000216532_100000210614 [0,0,0,1,0,0|2,0,0]=3 5368 B16R1.6680 CCCCCCCOCCN1CCNC1=O 7a_100000210272_100000090651 [0,0,0,1,0,0|2,0,0]=3 5369 B16R1.6680 CCCCCCCSCCN1CCCC1=O 62a_100000210614_100000739059 [0,0,0,1,0,0|3,0,0]=4 5370 B16R1.6680 CCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210316 [0,0,0,1,0,0|3,0,0]=4 5371 B16R1.6680 CCCCCCCSCCN1CCNC1=O 62a_100000090651_100000210316 [0,0,0,1,0,0|2,0,0]=3 5372 B16R1.6680 CCCCCCCSCCN1CCNC1=O 62a_100000210614_100000090651 [0,0,0,1,0,0|2,0,0]=3 5373 B16R1.6680 CCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210314 [0,0,0,1,0,0|3,0,0]=4 5374 B16R1.6680 CCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210314 [0,0,0,1,0,0|3,0,0]=4 5375 B16R1.6680 CCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210314 [0,0,0,1,0,0|3,0,0]=4 5376 B16R1.6680 CCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210314 [0,0,0,1,0,0|3,0,0]=4 5377 B16R1.6680 CCCCCCOCCOC1CCCC1=O 34a_100000691444_100000709159 [0,0,0,1,0,0|3,0,0]=4 5378 B16R1.6680 CCCCCCOCCOC1CCCC1=O 7a_100000691444_100000211823 [0,0,0,1,0,0|3,0,0]=4 5379 B16R1.6680 CCCCCCOCCOC1CCOC1=O 34a_100000691444_100000211211 [0,0,0,1,0,0|3,0,0]=4 5380 B16R1.6680 CCCCCCOCCOC1CCOC1=O 7a_100000691444_100000211211 [0,0,0,1,0,0|3,0,0]=4 5381 B16R1.6680 CCCCNCCCCOC1CCCC1=O 34a_200011216965_100000709159 [0,0,0,1,0,0|3,0,0]=4 5382 B16R1.6680 CCCCNCCCCOC1CCOC1=O 34a_200011216965_100000211211 [0,0,0,1,0,0|3,0,0]=4 5383 B16R1.6680 CCCCOCCCCOC1CCCC1=O 34a_200000760531_100000709159 [0,0,0,1,0,0|3,0,0]=4 5384 B16R1.6680 CCCCOCCCCOC1CCCC1=O 7a_200000760531_100000211823 [0,0,0,1,0,0|3,0,0]=4 5385 B16R1.6680 CCCCOCCCCOC1CCOC1=O 34a_200000760531_100000211211 [0,0,0,1,0,0|3,0,0]=4 5386 B16R1.6680 CCCCOCCCCOC1CCOC1=O 7a_200000760531_100000211211 [0,0,0,1,0,0|3,0,0]=4 5387 B16R1.6680 CCCCOCCNCCN1CCNC1=O 2230a_100011207550_100000743108 [0,0,0,1,0,0|3,0,0]=4 5388 B16R1.6680 CCCCOCCOCCN1CCNC1=O 34a_100000216532_100000743108 [0,0,0,1,0,0|3,0,0]=4 5389 B16R1.6680 CCCCOCCOCCN1CCNC1=O 7a_100000210238_100000090651 [0,0,0,1,0,0|3,0,0]=4 5390 B16R1.6680 CCCCOCCSCCN1CCNC1=O 62a_100000090651_100000743108 [0,0,0,1,0,0|3,0,0]=4 5391 B16R1.6680 CCCCOCCSCCN1CCNC1=O 62a_100000743108_100000090651 [0,0,0,1,0,0|3,0,0]=4 5392 B16R1.6680 CCCCSCCNCCN1CCNC1=O 2230a_100025743550_100000090651 [0,0,0,1,0,0|3,0,0]=4 5393 B16R1.6680 CCCCSCCOCCN1CCNC1=O 7a_200000230436_100000090651 [0,0,0,1,0,0|3,0,0]=4 5394 B16R1.6680 CCCOCCCNCCN1CCNC1=O 2230a_100011217757_100000090651 [0,0,0,1,0,0|3,0,0]=4 5395 B16R1.6680 CCOCCOCCOCC1CCNC1=O 34a_100000133458_100011211534 [0,0,0,1,0,0|3,0,0]=4 5396 B16R1.6680 COCCCCCCOCC1CCNC1=O 34a_100000133458_100011998445 [0,0,0,1,0,0|2,0,0]=3 5397 B16R1.6680 COCCCCCNCCN1CCNC1=O 2230a_100000747528_100000090651 [0,0,0,1,0,0|3,0,0]=4 5398 B16R1.6680 COCCOCCCOCC1CCNC1=O 34a_100000133458_100011216529 [0,0,0,1,0,0|3,0,0]=4 5399 B16R1.6680 NCCCCCCCCOC1CCCC1=O 34a_102515433106_100000709159 [0,0,0,1,0,0|3,0,0]=4 5400 B16R1.6680 NCCCCCCCCOC1CCOC1=O 34a_102515433106_100000211211 [0,0,0,1,0,0|3,0,0]=4 5401 B16R1.6680 O=C1CCCC1NCCCCCCCCO 2230a_102515433106_100000211823 [0,0,0,1,0,0|3,0,0]=4 5402 B16R1.6680 O=C1CCCC1NCCCCCCCCO 34a_102515433106_100000709159 [0,0,0,1,0,0|3,0,0]=4 5403 B16R1.6680 O=C1CCCC1OCCCCCCCCBr 34a_100009813846_100000709159 [0,0,0,1,0,0|3,0,0]=4 5404 B16R1.6680 O=C1CCCC1OCCCCCCCCBr 7a_100009813846_100000211823 [0,0,0,1,0,0|3,0,0]=4 5405 B16R1.6680 O=C1CCCC1OCCCCCCCCCl 34a_100000033203_100000709159 [0,0,0,1,0,0|3,0,0]=4 5406 B16R1.6680 O=C1CCCC1OCCCCCCCCCl 7a_100000033203_100000211823 [0,0,0,1,0,0|3,0,0]=4 5407 B16R1.6680 O=C1CCCC1OCCCCCCCCO 34a_200000719330_100000033203 [0,0,0,1,0,0|3,0,0]=4 5408 B16R1.6680 O=C1CCCC1SCCCCCCCCO 62a_100000033203_100000211823 [0,0,0,1,0,0|3,0,0]=4 5409 B16R1.6680 O=C1CCCC1SCCCCCCCCO 62a_100000211823_100000033203 [0,0,0,1,0,0|3,0,0]=4 5410 B16R1.6680 O=C1NCCC1COCCCCCCCO 34a_100000133458_100000760002 [0,0,0,1,0,0|2,0,0]=3 5411 B16R1.6680 O=C1NCCC1NCCCCCCCCO 2230a_100016995588_100000033203 [0,0,0,1,0,0|2,0,0]=3 5412 B16R1.6680 O=C1NCCC1NCCCCCCCCO 34a_100016995588_100000033203 [0,0,0,1,0,0|2,0,0]=3 5413 B16R1.6680 O=C1NCCN1CCNCCCCCCF 2230a_100011207550_100015922095 [0,0,0,1,0,0|3,0,0]=4 5414 B16R1.6680 O=C1NCCN1CCNCCCCCCO 2230a_100000686447_100000090651 [0,0,0,1,0,0|3,0,0]=4 5415 B16R1.6680 O=C1NCCN1CCNCCCCCCO 2230a_100011207550_100000766143 [0,0,0,1,0,0|3,0,0]=4 5416 B16R1.6680 O=C1NCCN1CCOCCCCCCBr 7a_100011215345_100000090651 [0,0,0,1,0,0|3,0,0]=4 5417 B16R1.6680 O=C1NCCN1CCOCCCCCCCl 7a_100000766143_100000090651 [0,0,0,1,0,0|3,0,0]=4 5418 B16R1.6680 O=C1NCCN1CCOCCCCCCF 34a_100000216532_100015922095 [0,0,0,1,0,0|3,0,0]=4 5419 B16R1.6680 O=C1NCCN1CCOCCCCCCF 7a_100000732779_100000090651 [0,0,0,1,0,0|3,0,0]=4 5420 B16R1.6680 O=C1NCCN1CCOCCCCCCO 34a_100000216532_100000766143 [0,0,0,1,0,0|3,0,0]=4 5421 B16R1.6680 O=C1NCCN1CCSCCCCCCF 62a_100000090651_100015922095 [0,0,0,1,0,0|3,0,0]=4 5422 B16R1.6680 O=C1NCCN1CCSCCCCCCF 62a_100015922095_100000090651 [0,0,0,1,0,0|3,0,0]=4 5423 B16R1.6680 O=C1NCCN1CCSCCCCCCO 62a_100000090651_100000766143 [0,0,0,1,0,0|3,0,0]=4 5424 B16R1.6680 O=C1NCCN1CCSCCCCCCO 62a_100000766143_100000090651 [0,0,0,1,0,0|3,0,0]=4 5425 B16R1.6680 O=C1NCC[C@@H]1OCCCCCCCCO 34a_100000688343_100000033203 [0,0,0,1,0,0|2,0,0]=3 5426 B16R1.6680 O=C1NOC[C@H]1NCCCCCCCCO 2230a_100000765999_100000033203 [0,0,0,1,0,0|3,0,0]=4 5427 B16R1.6680 O=C1NOC[C@H]1NCCCCCCCCO 34a_100000765999_100000033203 [0,0,0,1,0,0|3,0,0]=4 5428 B16R1.6680 O=C1OCCC1NCCCCCCCCO 2230a_102515433106_100000211211 [0,0,0,1,0,0|3,0,0]=4 5429 B16R1.6680 O=C1OCCC1NCCCCCCCCO 34a_102515433106_100000211211 [0,0,0,1,0,0|3,0,0]=4 5430 B16R1.6680 O=C1OCCC1OCCCCCCCCBr 34a_100009813846_100000211211 [0,0,0,1,0,0|3,0,0]=4 5431 B16R1.6680 O=C1OCCC1OCCCCCCCCBr 7a_100009813846_100000211211 [0,0,0,1,0,0|3,0,0]=4 5432 B16R1.6680 O=C1OCCC1OCCCCCCCCCl 34a_100000033203_100000211211 [0,0,0,1,0,0|3,0,0]=4 5433 B16R1.6680 O=C1OCCC1OCCCCCCCCCl 7a_100000033203_100000211211 [0,0,0,1,0,0|3,0,0]=4 5434 B16R1.6680 O=C1OCCC1SCCCCCCCCO 62a_100000033203_100000211211 [0,0,0,1,0,0|3,0,0]=4 5435 B16R1.6680 O=C1OCCC1SCCCCCCCCO 62a_100000211211_100000033203 [0,0,0,1,0,0|3,0,0]=4 5436 B16R1.6694 CCCC(=O)COCC1CCCN1CCC 7a_200000694710_100000747444 [0,0,0,1,0,0|3,0,0]=4 5437 B16R1.6694 CCCC1CCCC1NCCC(=O)NCC 269862a_100025743525_100000723119 [0,0,0,1,0,0|1,0,0]=2 5438 B16R1.6694 CCCC1CCCC1NCCC(=O)NCC 270004a_100025743525_100000723119 [0,0,0,1,0,0|1,0,0]=2 5439 B16R1.6694 CCCN1CCCC1COCC(=O)NCC 34a_200000694710_100000183381 [0,0,0,1,0,0|2,0,0]=3 5440 B16R1.6694 CCCN1CCCC1COCC(=O)NCC 7a_200000694710_100000183381 [0,0,0,1,0,0|2,0,0]=3 5441 B16R1.6694 CCCN1CCCC1COCC(=O)NCO 34a_200000694710_100000185155 [0,0,0,1,0,0|3,0,0]=4 5442 B16R1.6694 CCCN1CCCC1COCC(=O)NCO 7a_200000694710_100000185155 [0,0,0,1,0,0|3,0,0]=4 5443 B16R1.6694 CCCN1CCCC1COCC(=O)OCC 34a_200000694710_100000188475 [0,0,0,1,0,0|3,0,0]=4 5444 B16R1.6694 CCCN1CCCC1COCC(=O)OCC 7a_200000694710_100000188475 [0,0,0,1,0,0|3,0,0]=4 5445 B16R1.6694 CCOC(=O)CCCN1CCC[C@H]1COC 2230a_100020646714_100009991533 [0,0,0,1,0,0|3,0,0]=4 5446 B16R1.6694 CCOC(=O)CCCN1CCC[C@H]1COC 269982a_100020646714_100009991533 [0,0,0,1,0,0|3,0,0]=4 5447 B16R1.6694 CCOC(=O)CCCN1CCC[C@H]1COC 34a_100020646714_100009991533 [0,0,0,1,0,0|3,0,0]=4 5448 B16R1.7359 CCCC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747444 [0,0,0,1,0,0|3,0,0]=4 5449 B16R1.7359 CCCC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000747444 [0,0,0,1,0,0|3,0,0]=4 5450 B16R1.7359 CCCC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000747444 [0,0,0,1,0,0|3,0,0]=4 5451 B16R1.7359 CCCC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000747444 [0,0,0,1,0,0|3,0,0]=4 5452 B16R1.7359 CCCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210211 [0,0,0,1,0,0|2,0,0]=3 5453 B16R1.7359 CCCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210211 [0,0,0,1,0,0|2,0,0]=3 5454 B16R1.7359 CCNC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000183381 [0,0,0,1,0,0|2,0,0]=3 5455 B16R1.7359 CCNC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000183381 [0,0,0,1,0,0|2,0,0]=3 5456 B16R1.7359 CCNC(=O)CN1CCCCC1CCCO 34a_100011934581_100000183381 [0,0,0,1,0,0|2,0,0]=3 5457 B16R1.7359 CCNC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000183381 [0,0,0,1,0,0|2,0,0]=3 5458 B16R1.7359 CCNC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000183381 [0,0,0,1,0,0|2,0,0]=3 5459 B16R1.7359 CCNC(=O)CN1CCCCC1CCOC 34a_100015186528_100000183381 [0,0,0,1,0,0|2,0,0]=3 5460 B16R1.7359 CCOC(=O)CC1CCCCN1CCCF 2230a_100116209990_100011934791 [0,0,0,1,0,0|3,0,0]=4 5461 B16R1.7359 CCOC(=O)CC1CCCCN1CCCF 269982a_100116209990_100011934791 [0,0,0,1,0,0|3,0,0]=4 5462 B16R1.7359 CCOC(=O)CC1CCCCN1CCCO 2230a_100116209990_100000230001 [0,0,0,1,0,0|3,0,0]=4 5463 B16R1.7359 CCOC(=O)CC1CCCCN1CCCO 269982a_100116209990_100011215043 [0,0,0,1,0,0|3,0,0]=4 5464 B16R1.7359 CCOC(=O)CC1CCCCN1CCOC 2230a_100116209990_100011201679 [0,0,0,1,0,0|3,0,0]=4 5465 B16R1.7359 CCOC(=O)CC1CCCCN1CCOC 269982a_100116209990_100000233755 [0,0,0,1,0,0|3,0,0]=4 5466 B16R1.7359 CCOC(=O)CC1CCCCN1CCSC 2230a_100116209990_100000751147 [0,0,0,1,0,0|3,0,0]=4 5467 B16R1.7359 CCOC(=O)CC1CCCCN1CCSC 269982a_100116209990_100000212216 [0,0,0,1,0,0|3,0,0]=4 5468 B16R1.7359 CCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000188475 [0,0,0,1,0,0|3,0,0]=4 5469 B16R1.7359 CCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000188475 [0,0,0,1,0,0|3,0,0]=4 5470 B16R1.7359 CCOC(=O)CN1CCCCC1CCCO 34a_100011934581_100000188475 [0,0,0,1,0,0|3,0,0]=4 5471 B16R1.7359 CCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000188475 [0,0,0,1,0,0|3,0,0]=4 5472 B16R1.7359 CCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000188475 [0,0,0,1,0,0|3,0,0]=4 5473 B16R1.7359 CCOC(=O)CN1CCCCC1CCOC 34a_100015186528_100000188475 [0,0,0,1,0,0|3,0,0]=4 5474 B16R1.7359 CCOCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000739092 [0,0,0,1,0,0|3,0,0]=4 5475 B16R1.7359 COCCC1CCCCN1CC(=O)NCO 2230a_100015186528_100000185155 [0,0,0,1,0,0|3,0,0]=4 5476 B16R1.7359 COCCC1CCCCN1CC(=O)NCO 269982a_100015186528_100000185155 [0,0,0,1,0,0|3,0,0]=4 5477 B16R1.7359 COCCC1CCCCN1CC(=O)NCO 34a_100015186528_100000185155 [0,0,0,1,0,0|3,0,0]=4 5478 B16R1.7359 O=C(CN1CCCCC1CCCO)NCO 2230a_100011934581_100000185155 [0,0,0,1,0,0|3,0,0]=4 5479 B16R1.7359 O=C(CN1CCCCC1CCCO)NCO 269982a_100011934581_100000185155 [0,0,0,1,0,0|3,0,0]=4 5480 B16R1.7359 O=C(CN1CCCCC1CCCO)NCO 34a_100011934581_100000185155 [0,0,0,1,0,0|3,0,0]=4 5481 B16R1.8378 C#CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100012276617 [0,0,0,1,0,0|1,0,2]=4 5482 B16R1.8378 C#CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100012276617 [0,0,0,1,0,0|1,0,2]=4 5483 B16R1.8378 C=CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011215473 [0,0,0,1,0,0|1,0,2]=4 5484 B16R1.8378 C=CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100011215473 [0,0,0,1,0,0|1,0,2]=4 5485 B16R1.8378 CCCCCC#CCN1CCNC(=O)CC1 2230a_100000698595_100009816472 [0,0,0,1,0,0|1,0,2]=4 5486 B16R1.8378 CCCCCC#CCN1CCNC(=O)CC1 269982a_100000698595_100009816472 [0,0,0,1,0,0|1,0,2]=4 5487 B16R1.8378 CCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210759 [0,0,0,1,0,0|1,0,0]=2 5488 B16R1.8378 CCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210759 [0,0,0,1,0,0|1,0,0]=2 5489 B16R1.8378 CCOCCOCCN1CCNC(=O)CC1 2230a_100000698595_100011211534 [0,0,0,1,0,0|3,0,0]=4 5490 B16R1.8378 CCOCCOCCN1CCNC(=O)CC1 269982a_100000698595_100011211534 [0,0,0,1,0,0|3,0,0]=4 5491 B16R1.8378 COCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011998445 [0,0,0,1,0,0|2,0,0]=3 5492 B16R1.8378 COCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100011998445 [0,0,0,1,0,0|2,0,0]=3 5493 B16R1.8378 COCCOCCCN1CCNC(=O)CC1 2230a_100000698595_100011216529 [0,0,0,1,0,0|3,0,0]=4 5494 B16R1.8378 COCCOCCCN1CCNC(=O)CC1 269982a_100000698595_100011216529 [0,0,0,1,0,0|3,0,0]=4 5495 B16R1.8378 N#CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100009813337 [0,0,0,1,0,0|2,0,1]=4 5496 B16R1.8378 N#CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100009813337 [0,0,0,1,0,0|2,0,1]=4 5497 B16R1.8378 O=C1CCN(CCN1)CCCCCCCO 2230a_100000698595_100000760002 [0,0,0,1,0,0|2,0,0]=3 5498 B16R1.8378 O=C1CCN(CCN1)CCCCCCCO 269982a_100000698595_100000760002 [0,0,0,1,0,0|2,0,0]=3 5499 B16R1.12723 CCCC(=O)N1CCCCC1CCCOC 11a_100011804088_100000211992 [0,0,0,1,0,0|3,0,0]=4 5500 B16R1.12723 CCCC(=O)N1CCCCC1CCCOC 1626a_100011804088_100000211992 [0,0,0,1,0,0|3,0,0]=4 5501 B16R1.12723 CCCC(=O)N1CCCCC1CCCOC 240690a_100011804088_100000211992 [0,0,0,1,0,0|3,0,0]=4 5502 B16R1.12723 CCCC(=O)N1CCCCC1CCCOC 527a_100011804088_100000211992 [0,0,0,1,0,0|3,0,0]=4 5503 B16R1.12723 CCCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210326 [0,0,0,1,0,0|2,0,0]=3 5504 B16R1.12723 CCCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210215 [0,0,0,1,0,0|2,0,0]=3 5505 B16R1.12723 CCCCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210326 [0,0,0,1,0,0|3,0,0]=4 5506 B16R1.12723 CCCCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210215 [0,0,0,1,0,0|3,0,0]=4 5507 B16R1.12723 CCCCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210326 [0,0,0,1,0,0|3,0,0]=4 5508 B16R1.12723 CCCCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210215 [0,0,0,1,0,0|3,0,0]=4 5509 B16R1.12723 CCCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210211 [0,0,0,1,0,0|2,0,0]=3 5510 B16R1.12723 CCNC(=O)N1CCCCC1CCCOC 2708a_100015525214_100011804088 [0,0,0,1,0,0|2,0,0]=3 5511 B16R1.12723 CCNC(=O)N1CCCCC1CCCOC 273464a_100015525214_100011804088 [0,0,0,1,0,0|2,0,0]=3 5512 B16R1.12723 CCOC(=O)C1CCCCC1OCCCF 7a_100000038711_100011934791 [0,0,0,1,0,0|3,0,0]=4 5513 B16R1.12723 CCOC(=O)C1CCCCC1OCCCO 7a_100000038711_100011215043 [0,0,0,1,0,0|3,0,0]=4 5514 B16R1.12723 CCOC(=O)C1CCCCC1OCCOC 7a_100000038711_100000233755 [0,0,0,1,0,0|3,0,0]=4 5515 B16R1.12723 CCOC(=O)C1CCCCC1OCCSC 7a_100000038711_100000212216 [0,0,0,1,0,0|3,0,0]=4 5516 B16R1.12723 CCOC(=O)C1CCCCN1CCCCF 2230a_100016990872_100000729493 [0,0,0,1,0,0|3,0,0]=4 5517 B16R1.12723 CCOC(=O)C1CCCCN1CCCCF 269982a_100016990872_100000729493 [0,0,0,1,0,0|3,0,0]=4 5518 B16R1.12723 CCOC(=O)C1CCCCN1CCCCO 2230a_100016990872_100000210776 [0,0,0,1,0,0|3,0,0]=4 5519 B16R1.12723 CCOC(=O)C1CCCCN1CCCCO 269982a_100016990872_100000210776 [0,0,0,1,0,0|3,0,0]=4 5520 B16R1.12723 CCOC(=O)C1CCCCN1CCCOC 2230a_100016990872_100000740836 [0,0,0,1,0,0|3,0,0]=4 5521 B16R1.12723 CCOC(=O)C1CCCCN1CCCOC 269982a_100016990872_100000740836 [0,0,0,1,0,0|3,0,0]=4 5522 B16R1.12723 CCOC(=O)C1CCCCN1CCSCC 2230a_100016990872_100000757381 [0,0,0,1,0,0|3,0,0]=4 5523 B16R1.12723 CCOC(=O)C1CCCCN1CCSCC 269982a_100016990872_100000757381 [0,0,0,1,0,0|3,0,0]=4 5524 B16R1.12723 CCOCCN1CCCCC1C(=O)OCC 2230a_100016990872_100011215890 [0,0,0,1,0,0|3,0,0]=4 5525 B16R1.12723 CCOCCN1CCCCC1C(=O)OCC 269982a_100016990872_100011215890 [0,0,0,1,0,0|3,0,0]=4 5526 B16R1.14009 CCNC(=O)CCNCCC1CCCN1C 34a_100025743525_100000005710 [0,0,0,1,0,0|2,0,0]=3 5527 B16R1.14009 CCNC(=O)CCOCCC1CCCN1C 7a_100011215177_100000737597 [0,0,0,1,0,0|2,0,0]=3 5528 B16R1.14009 CCNC(=O)CCSCCC1CCCN1C 62a_100000005710_100000737597 [0,0,0,1,0,0|2,0,0]=3 5529 B16R1.14009 CCNC(=O)CCSCCC1CCCN1C 62a_100000737597_100000005710 [0,0,0,1,0,0|2,0,0]=3 5530 B16R1.14009 CCOC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000755133 [0,0,0,1,0,0|2,0,0]=3 5531 B16R1.14009 CCOC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000755133 [0,0,0,1,0,0|2,0,0]=3 5532 B16R1.14009 CCOC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_100000755133 [0,0,0,1,0,0|2,0,0]=3 5533 B16R1.14009 CCOC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_100000755133 [0,0,0,1,0,0|2,0,0]=3 5534 B16R1.14009 CCOC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_100000755133 [0,0,0,1,0,0|2,0,0]=3 5535 B16R1.14009 CCOC(=O)CCCCCN1CCSC1C 2230a_200011216479_100000755133 [0,0,0,1,0,0|3,0,0]=4 5536 B16R1.14009 CCOC(=O)CCCCCN1CCSC1C 269982a_200011216479_100000755133 [0,0,0,1,0,0|3,0,0]=4 5537 B16R1.14009 CCOC(=O)CCCCCN1CCSC1C 34a_200011216479_100000755133 [0,0,0,1,0,0|3,0,0]=4 5538 B16R1.14009 CCOC(=O)CCCCOC1CCCC1C 34a_100011216460_100000750268 [0,0,0,1,0,0|2,0,0]=3 5539 B16R1.14009 CCOC(=O)CCCCOC1CCCC1C 7a_100011216460_100000750268 [0,0,0,1,0,0|2,0,0]=3 5540 B16R1.14009 CCOC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000750268 [0,0,0,1,0,0|3,0,0]=4 5541 B16R1.14009 CCOC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000750268 [0,0,0,1,0,0|3,0,0]=4 5542 B16R1.14009 CCOC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000750268 [0,0,0,1,0,0|3,0,0]=4 5543 B16R1.14009 CCOC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000750268_200016002552 [0,0,0,1,0,0|3,0,0]=4 5544 B16R1.14009 CCOC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000750268 [0,0,0,1,0,0|3,0,0]=4 5545 B16R1.14009 CCOC(=O)CCCOCC1CCCN1C 34a_100000743107_100009991533 [0,0,0,1,0,0|3,0,0]=4 5546 B16R1.14009 CCOC(=O)CCOCCC1CCCN1C 34a_100011215177_100000765890 [0,0,0,1,0,0|3,0,0]=4 5547 B16R1.14009 CCOC(=O)CCOCCC1CCCN1C 7a_100011215177_100011206558 [0,0,0,1,0,0|3,0,0]=4 5548 B16R1.14009 CCOC(=O)CCSCCC1CCCN1C 62a_100000005710_100000765890 [0,0,0,1,0,0|3,0,0]=4 5549 B16R1.14009 CCOC(=O)CCSCCC1CCCN1C 62a_100000765890_100000005710 [0,0,0,1,0,0|3,0,0]=4 5550 B16R1.14009 CCOC(=O)COCCCN1CCC[C@@H]1C 2230a_100020605311_100009893628 [0,0,0,1,0,0|3,0,0]=4 5551 B16R1.14009 CCOC(=O)COCCCN1CCC[C@@H]1C 269982a_100020605311_100009893628 [0,0,0,1,0,0|3,0,0]=4 5552 B16R1.14009 CCOC(=O)COCCCN1CCC[C@H]1C 2230a_100015189458_100009893628 [0,0,0,1,0,0|3,0,0]=4 5553 B16R1.14009 CCOC(=O)COCCCN1CCC[C@H]1C 269982a_100015189458_100009893628 [0,0,0,1,0,0|3,0,0]=4 5554 B16R1.14009 CCOC(=O)COCCCN1CCC[C@H]1C 34a_100015189458_100009893628 [0,0,0,1,0,0|3,0,0]=4 5555 B16R1.14009 CCOC(=O)COCCOC1CCCC1C 34a_100011216460_100000088970 [0,0,0,1,0,0|3,0,0]=4 5556 B16R1.14009 CCOC(=O)COCCOC1CCCC1C 7a_100011216460_100000088970 [0,0,0,1,0,0|3,0,0]=4 5557 B16R1.14018 CCOC(=O)CCCCCCN1CCC1C 269982a_100000755817_100009814379 [0,0,0,1,0,0|2,0,0]=3 5558 B16R1.14018 CCOC(=O)CCCCCCN1CCC1C 34a_100000755817_100009814379 [0,0,0,1,0,0|2,0,0]=3 5559 B16R1.15027 CCCC(=O)OCN1CCCCCCCC1 2230a_100000039187_100000034017 [0,0,0,1,0,0|3,0,0]=4 5560 B16R1.15027 CCCC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000034017 [0,0,0,1,0,0|3,0,0]=4 5561 B16R1.15027 CCCC(=O)OCN1CCCCCCCC1 34a_100000039187_100000034017 [0,0,0,1,0,0|3,0,0]=4 5562 B16R1.15027 CCNC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737597 [0,0,0,1,0,0|1,0,0]=2 5563 B16R1.15027 CCNC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737597 [0,0,0,1,0,0|1,0,0]=2 5564 B16R1.15027 CCNC(=O)CNC1CCCCCCCC1 270004a_100016988866_100000038600 [0,0,0,1,0,0|1,0,0]=2 5565 B16R1.15027 CCOC(=O)CCN1CCCCCCCC1 2230a_100000039187_100011206558 [0,0,0,1,0,0|2,0,0]=3 5566 B16R1.15027 CCOC(=O)CCN1CCCCCCCC1 269982a_100000039187_100011206558 [0,0,0,1,0,0|2,0,0]=3 5567 B16R1.15027 CCOC(=O)CCN1CCCCCCCC1 34a_100000039187_100000765890 [0,0,0,1,0,0|2,0,0]=3 5568 B16R1.15047 CCCC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747444 [0,0,0,1,0,0|2,0,0]=3 5569 B16R1.15047 CCCC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747444 [0,0,0,1,0,0|3,0,0]=4 5570 B16R1.15047 CCCC(=O)CSCCN1CCCCCC1 62a_100000747444_100000722644 [0,0,0,1,0,0|3,0,0]=4 5571 B16R1.15047 CCCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000211992 [0,0,0,1,0,0|3,0,0]=4 5572 B16R1.15047 CCCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000211992 [0,0,0,1,0,0|3,0,0]=4 5573 B16R1.15047 CCCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000211992 [0,0,0,1,0,0|3,0,0]=4 5574 B16R1.15047 CCCC(=O)OCNCC1CCCCCC1 2230a_100015204231_100000034017 [0,0,0,1,0,0|3,0,0]=4 5575 B16R1.15047 CCCC(=O)OCNCC1CCCCCC1 34a_100015204231_100000034017 [0,0,0,1,0,0|3,0,0]=4 5576 B16R1.15047 CCCC(=O)OCOCC1CCCCCC1 34a_100000699130_100000034017 [0,0,0,1,0,0|3,0,0]=4 5577 B16R1.15047 CCCC(=O)OCSCC1CCCCCC1 62a_200000696569_100000034017 [0,0,0,1,0,0|3,0,0]=4 5578 B16R1.15047 CCNC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737597 [0,0,0,1,0,0|1,0,0]=2 5579 B16R1.15047 CCNC(=O)CCNCC1CCCCCC1 269862a_100025743525_200000763224 [0,0,0,1,0,0|1,0,0]=2 5580 B16R1.15047 CCNC(=O)CCNCC1CCCCCC1 34a_100025743525_200000696569 [0,0,0,1,0,0|1,0,0]=2 5581 B16R1.15047 CCNC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737597 [0,0,0,1,0,0|1,0,0]=2 5582 B16R1.15047 CCNC(=O)CCSCC1CCCCCC1 62a_100000737597_200000696569 [0,0,0,1,0,0|1,0,0]=2 5583 B16R1.15047 CCNC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737597 [0,0,0,1,0,0|1,0,0]=2 5584 B16R1.15047 CCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183381 [0,0,0,1,0,0|1,0,0]=2 5585 B16R1.15047 CCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183381 [0,0,0,1,0,0|1,0,0]=2 5586 B16R1.15047 CCNC(=O)COCCN1CCCCCC1 34a_100000238007_100000183381 [0,0,0,1,0,0|2,0,0]=3 5587 B16R1.15047 CCNC(=O)CSCCN1CCCCCC1 62a_100000183381_100000722644 [0,0,0,1,0,0|2,0,0]=3 5588 B16R1.15047 CCNC(=O)CSCCN1CCCCCC1 62a_100000722644_100000183381 [0,0,0,1,0,0|2,0,0]=3 5589 B16R1.15047 CCNC(=O)NCCCN1CCCCCC1 2708a_100015525214_100000181460 [0,0,0,1,0,0|2,0,0]=3 5590 B16R1.15047 CCNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100015525214 [0,0,0,1,0,0|2,0,0]=3 5591 B16R1.15047 CCNC(=O)NCCCN1CCCCCC1 273464a_100015525214_100000181460 [0,0,0,1,0,0|2,0,0]=3 5592 B16R1.15047 CCNC(=O)NCCCN1CCCCCC1 512a_100000181460_100015525214 [0,0,0,1,0,0|2,0,0]=3 5593 B16R1.15047 CCNC(=O)NCCCN1CCCCCC1 512a_100015525214_100000181460 [0,0,0,1,0,0|2,0,0]=3 5594 B16R1.15047 CCOC(=O)CCCCN1CCCCCC1 2230a_100000185865_100000750268 [0,0,0,1,0,0|2,0,0]=3 5595 B16R1.15047 CCOC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000750268 [0,0,0,1,0,0|2,0,0]=3 5596 B16R1.15047 CCOC(=O)CCCCN1CCCCCC1 34a_100000185865_100000750268 [0,0,0,1,0,0|2,0,0]=3 5597 B16R1.15047 CCOC(=O)CCCCN1CCCOCC1 2230a_100000685342_100000750268 [0,0,0,1,0,0|3,0,0]=4 5598 B16R1.15047 CCOC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000750268 [0,0,0,1,0,0|3,0,0]=4 5599 B16R1.15047 CCOC(=O)CCCCN1CCCOCC1 34a_100000685342_100000750268 [0,0,0,1,0,0|3,0,0]=4 5600 B16R1.15047 CCOC(=O)CCCNC1CCCCCC1 2230a_100000210984_100009991533 [0,0,0,1,0,0|2,0,0]=3 5601 B16R1.15047 CCOC(=O)CCCNC1CCCCCC1 34a_100000210984_100009991533 [0,0,0,1,0,0|2,0,0]=3 5602 B16R1.15047 CCOC(=O)CCCOC1CCCCCC1 34a_100000210887_100009991533 [0,0,0,1,0,0|2,0,0]=3 5603 B16R1.15047 CCOC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215271 [0,0,0,1,0,0|2,0,0]=3 5604 B16R1.15047 CCOC(=O)CCCSC1CCCCCC1 62a_100009991533_100011217769 [0,0,0,1,0,0|2,0,0]=3 5605 B16R1.15047 CCOC(=O)CCCSC1CCCCCC1 62a_100011217769_100009991533 [0,0,0,1,0,0|2,0,0]=3 5606 B16R1.15047 CCOC(=O)CCNCC1CCCCCC1 2230a_100015204231_100011206558 [0,0,0,1,0,0|2,0,0]=3 5607 B16R1.15047 CCOC(=O)CCNCC1CCCCCC1 34a_100015204231_100000765890 [0,0,0,1,0,0|2,0,0]=3 5608 B16R1.15047 CCOC(=O)CCOCC1CCCCCC1 34a_100000699130_100000765890 [0,0,0,1,0,0|2,0,0]=3 5609 B16R1.15047 CCOC(=O)CCOCC1CCCCCC1 7a_100000699130_100011206558 [0,0,0,1,0,0|2,0,0]=3 5610 B16R1.15047 CCOC(=O)CCSCC1CCCCCC1 62a_100000765890_200000696569 [0,0,0,1,0,0|2,0,0]=3 5611 B16R1.15047 CCOC(=O)CCSCC1CCCCCC1 62a_200000696569_100000765890 [0,0,0,1,0,0|2,0,0]=3 5612 B16R1.15047 CCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000188475 [0,0,0,1,0,0|2,0,0]=3 5613 B16R1.15047 CCOC(=O)CNCCC1CCCCCC1 34a_100011532351_100000188475 [0,0,0,1,0,0|2,0,0]=3 5614 B16R1.15047 CCOC(=O)COCCN1CCCCCC1 2230a_100000185865_100000088970 [0,0,0,1,0,0|3,0,0]=4 5615 B16R1.15047 CCOC(=O)COCCN1CCCCCC1 269982a_100000185865_100000088970 [0,0,0,1,0,0|3,0,0]=4 5616 B16R1.15047 CCOC(=O)COCCN1CCCCCC1 34a_100000185865_100000088970 [0,0,0,1,0,0|3,0,0]=4 5617 B16R1.15047 CCOC(=O)COCCN1CCCCCC1 34a_100000238007_100000188475 [0,0,0,1,0,0|3,0,0]=4 5618 B16R1.15047 CCOC(=O)CSCCN1CCCCCC1 62a_100000188475_100000722644 [0,0,0,1,0,0|3,0,0]=4 5619 B16R1.15047 CCOC(=O)CSCCN1CCCCCC1 62a_100000722644_100000188475 [0,0,0,1,0,0|3,0,0]=4 5620 B16R1.15047 CCOC(=O)NCCOC1CCCCCC1 34a_100000158857_100011217769 [0,0,0,1,0,0|3,0,0]=4 5621 B16R1.15047 CCOC(=O)NCCOC1CCCCCC1 7a_100000210887_200011445536 [0,0,0,1,0,0|3,0,0]=4 5622 B16R1.15047 CCOC(=O)NCCSC1CCCCCC1 62a_100011217769_200011445536 [0,0,0,1,0,0|3,0,0]=4 5623 B16R1.15047 CCOC(=O)OCSCC1CCCCCC1 62a_200000696569_100000075025 [0,0,0,1,0,0|3,0,0]=4 5624 B16R1.15047 CNNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100016993582 [0,0,0,1,0,0|3,0,0]=4 5625 B16R1.15047 CNNC(=O)NCCCN1CCCCCC1 512a_100000181460_100016993582 [0,0,0,1,0,0|3,0,0]=4 5626 B16R1.15047 CNNC(=O)NCCCN1CCCCCC1 512a_100016993582_100000181460 [0,0,0,1,0,0|3,0,0]=4 5627 B16R1.15047 O=C(CNCCC1CCCCCC1)NCO 2230a_100011532351_100000185155 [0,0,0,1,0,0|2,0,0]=3 5628 B16R1.15047 O=C(CNCCC1CCCCCC1)NCO 34a_100011532351_100000185155 [0,0,0,1,0,0|2,0,0]=3 5629 B16R1.15047 O=C(COCCN1CCCCCC1)NCO 34a_100000238007_100000185155 [0,0,0,1,0,0|3,0,0]=4 5630 B16R1.15047 O=C(CSCCN1CCCCCC1)NCO 62a_100000185155_100000722644 [0,0,0,1,0,0|3,0,0]=4 5631 B16R1.15047 O=C(CSCCN1CCCCCC1)NCO 62a_100000722644_100000185155 [0,0,0,1,0,0|3,0,0]=4 5632 B16R1.15313 CCNC(=O)COCCCCOCC1CO1 34a_100010889290_100000183381 [0,0,0,1,0,0|3,0,0]=4 5633 B16R1.15313 CCNC(=O)COCCCCOCC1CO1 7a_100010889290_100000183381 [0,0,0,1,0,0|3,0,0]=4 5634 B16R1.15313 CCOC(=O)CCCCCCCNC1CC1 34a_100000212008_100009991516 [0,0,0,1,0,0|2,0,0]=3 5635 B16R1.15313 CCOC(=O)CCCCCCNCC1CC1 2230a_100000735609_100009814379 [0,0,0,1,0,0|2,0,0]=3 5636 B16R1.15313 CCOC(=O)CCCCCCNCC1CC1 34a_100000735609_100009814379 [0,0,0,1,0,0|2,0,0]=3 5637 B16R1.15313 CCOC(=O)CCCCCCOCC1CC1 34a_100000211283_100009814379 [0,0,0,1,0,0|2,0,0]=3 5638 B16R1.15313 CCOC(=O)CCCCCCOC[C@@H]1CO1 34a_100000757423_100009814379 [0,0,0,1,0,0|3,0,0]=4 5639 B16R1.15313 CCOC(=O)CCCCCCSCC1CC1 62a_100000756562_100009814379 [0,0,0,1,0,0|2,0,0]=3 5640 B16R1.15313 CCOC(=O)CCCCCCSCC1CO1 62a_102125554688_100009814379 [0,0,0,1,0,0|3,0,0]=4 5641 B16R1.15313 CCOC(=O)CCCCCCSCC1CS1 62a_100000031435_100009814379 [0,0,0,1,0,0|3,0,0]=4 5642 B16R1.15313 CCOC(=O)CCCCCCSC[C@@H]1CO1 62a_100000745022_100009814379 [0,0,0,1,0,0|3,0,0]=4 5643 B16R1.15313 CCOC(=O)CCCCCNCCC1CC1 34a_100000764129_100000755133 [0,0,0,1,0,0|2,0,0]=3 5644 B16R1.15313 CCOC(=O)CCCCCOCCC1CC1 34a_100000754188_100000755133 [0,0,0,1,0,0|2,0,0]=3 5645 B16R1.15313 CCOC(=O)CCCCCOCCC1CC1 7a_100000754188_100000755133 [0,0,0,1,0,0|2,0,0]=3 5646 B16R1.15313 CCOC(=O)CCCCCOCCC1CC1 7a_100011214988_100000764125 [0,0,0,1,0,0|2,0,0]=3 5647 B16R1.15313 CCOC(=O)CCCCCOCCC1CO1 7a_100011214988_100000732470 [0,0,0,1,0,0|3,0,0]=4 5648 B16R1.15313 CCOC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100000755133 [0,0,0,1,0,0|3,0,0]=4 5649 B16R1.15313 CCOC(=O)CCCCCSCCC1CC1 62a_100000755133_100000764125 [0,0,0,1,0,0|2,0,0]=3 5650 B16R1.15313 CCOC(=O)CCCCCSCCC1CC1 62a_100000764125_100000755133 [0,0,0,1,0,0|2,0,0]=3 5651 B16R1.15313 CCOC(=O)CCCCCSCCC1CO1 62a_100000732470_100000755133 [0,0,0,1,0,0|3,0,0]=4 5652 B16R1.15313 CCOC(=O)CCCCCSCCC1CO1 62a_100000755133_100000732470 [0,0,0,1,0,0|3,0,0]=4 5653 B16R1.15313 CCOC(=O)CCCCOCCNC1CC1 34a_100000738766_100000750268 [0,0,0,1,0,0|3,0,0]=4 5654 B16R1.15313 CCOC(=O)CCCCSCCCC1CO1 62a_100000733510_100000750268 [0,0,0,1,0,0|3,0,0]=4 5655 B16R1.15313 CCOC(=O)CCCCSCCCC1CO1 62a_100000750268_100000733510 [0,0,0,1,0,0|3,0,0]=4 5656 B16R1.15313 CCOC(=O)COCCCNCCC1CC1 34a_100000764129_100009893628 [0,0,0,1,0,0|3,0,0]=4 5657 B16R1.15313 CCOC(=O)COCCCOCCC1CC1 34a_100000754188_100009893628 [0,0,0,1,0,0|3,0,0]=4 5658 B16R1.15313 CCOC(=O)COCCCOCCC1CC1 7a_100000754188_100009893628 [0,0,0,1,0,0|3,0,0]=4 5659 B16R1.15313 CCOC(=O)COCCCSCCC1CC1 62a_100000764125_100009893628 [0,0,0,1,0,0|3,0,0]=4 5660 B16R1.15313 CCOC(=O)COCCCSCCC1CC1 62a_100009893628_100000764125 [0,0,0,1,0,0|3,0,0]=4 5661 B16R1.17465 C#CCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100010269958 [0,0,0,1,0,0|1,0,2]=4 5662 B16R1.17465 C#CCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100010269958 [0,0,0,1,0,0|1,0,2]=4 5663 B16R1.17465 C#CCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100010269958 [0,0,0,1,0,0|1,0,2]=4 5664 B16R1.17465 C=CCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100011215482 [0,0,0,1,0,0|1,0,2]=4 5665 B16R1.17465 C=CCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100011215482 [0,0,0,1,0,0|1,0,2]=4 5666 B16R1.17465 C=CCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100011215482 [0,0,0,1,0,0|1,0,2]=4 5667 B16R1.17465 CC/C=C\CCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100015370543 [0,0,0,1,0,0|1,0,2]=4 5668 B16R1.17465 CC/C=C\CCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100015370543 [0,0,0,1,0,0|1,0,2]=4 5669 B16R1.17465 CC/C=C\CCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100015370543 [0,0,0,1,0,0|1,0,2]=4 5670 B16R1.17465 CCCCCCC1CCCC1N(C)CCC 270004a_100000747261_100000189428 [0,0,0,1,0,0|3,0,0]=4 5671 B16R1.17465 CCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210314 [0,0,0,1,0,0|1,0,0]=2 5672 B16R1.17465 CCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210757 [0,0,0,1,0,0|1,0,0]=2 5673 B16R1.17465 CCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210314 [0,0,0,1,0,0|1,0,0]=2 5674 B16R1.17465 CCCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210314 [0,0,0,1,0,0|2,0,0]=3 5675 B16R1.17465 CCCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210757 [0,0,0,1,0,0|2,0,0]=3 5676 B16R1.17465 CCCCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210757 [0,0,0,1,0,0|3,0,0]=4 5677 B16R1.17465 CCCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210326 [0,0,0,1,0,0|2,0,0]=3 5678 B16R1.17465 CCCCOCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100011995733 [0,0,0,1,0,0|2,0,0]=3 5679 B16R1.17465 CCCCOCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100011995733 [0,0,0,1,0,0|2,0,0]=3 5680 B16R1.17465 CCCCOCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100011995733 [0,0,0,1,0,0|2,0,0]=3 5681 B16R1.17465 CCCCOCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100011995733 [0,0,0,1,0,0|3,0,0]=4 5682 B16R1.17465 CCCCOCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100011995733 [0,0,0,1,0,0|3,0,0]=4 5683 B16R1.17465 CCCOCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100011215938 [0,0,0,1,0,0|2,0,0]=3 5684 B16R1.17465 CCCOCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100011215938 [0,0,0,1,0,0|2,0,0]=3 5685 B16R1.17465 CCCOCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100011215938 [0,0,0,1,0,0|2,0,0]=3 5686 B16R1.17465 CCCOCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100011215938 [0,0,0,1,0,0|3,0,0]=4 5687 B16R1.17465 CCCOCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100011215938 [0,0,0,1,0,0|3,0,0]=4 5688 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCC#N 2230a_100020641767_100000211819 [0,0,0,1,0,0|2,0,1]=4 5689 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCC#N 269982a_100020641767_100011219923 [0,0,0,1,0,0|2,0,1]=4 5690 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCC=O 2230a_100020641767_100000139335 [0,0,0,1,0,0|2,0,1]=4 5691 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCC=O 269982a_100020641767_100000139335 [0,0,0,1,0,0|2,0,1]=4 5692 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCCF 2230a_100020641767_100000729378 [0,0,0,1,0,0|2,0,0]=3 5693 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCCF 269982a_100020641767_100000729378 [0,0,0,1,0,0|2,0,0]=3 5694 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCCF 34a_100020641767_100000729378 [0,0,0,1,0,0|2,0,0]=3 5695 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCCO 2230a_100020641767_100000746330 [0,0,0,1,0,0|2,0,0]=3 5696 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCCO 269982a_100020641767_100000746330 [0,0,0,1,0,0|2,0,0]=3 5697 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCCO 34a_100020641767_100000746330 [0,0,0,1,0,0|2,0,0]=3 5698 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCOC 2230a_100020641767_100000730899 [0,0,0,1,0,0|2,0,0]=3 5699 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCOC 269982a_100020641767_100000730899 [0,0,0,1,0,0|2,0,0]=3 5700 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCCOC 34a_100020641767_100000755781 [0,0,0,1,0,0|2,0,0]=3 5701 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCOCC 2230a_100020641767_100012232248 [0,0,0,1,0,0|2,0,0]=3 5702 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCOCC 269982a_100020641767_100012232248 [0,0,0,1,0,0|2,0,0]=3 5703 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCCOCC 34a_100020641767_100012232248 [0,0,0,1,0,0|2,0,0]=3 5704 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCOCCO 2230a_100020641767_100011215305 [0,0,0,1,0,0|3,0,0]=4 5705 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCOCCO 269982a_100020641767_100011215305 [0,0,0,1,0,0|3,0,0]=4 5706 B16R1.17465 CCNC(=O)[C@@H]1CCCN1CCOCCO 34a_100020641767_100000692535 [0,0,0,1,0,0|3,0,0]=4 5707 B16R1.17465 CCNC(=O)[C@@H]1CCCN1COCCOC 2230a_100020641767_100000231047 [0,0,0,1,0,0|3,0,0]=4 5708 B16R1.17465 CCNC(=O)[C@@H]1CCCN1COCCOC 269982a_100020641767_100000231047 [0,0,0,1,0,0|3,0,0]=4 5709 B16R1.17465 CCOC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000703725_100000729378 [0,0,0,1,0,0|3,0,0]=4 5710 B16R1.17465 CCOC(=O)[C@@H]1CCCN1CCCCCF 269982a_100000703725_100000729378 [0,0,0,1,0,0|3,0,0]=4 5711 B16R1.17465 CCOC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000703725_100000746330 [0,0,0,1,0,0|3,0,0]=4 5712 B16R1.17465 CCOC(=O)[C@@H]1CCCN1CCCCCO 269982a_100000703725_100000746330 [0,0,0,1,0,0|3,0,0]=4 5713 B16R1.17465 CCOC(=O)[C@@H]1CCCN1CCCCOC 2230a_100000703725_100000730899 [0,0,0,1,0,0|3,0,0]=4 5714 B16R1.17465 CCOC(=O)[C@@H]1CCCN1CCCCOC 269982a_100000703725_100000730899 [0,0,0,1,0,0|3,0,0]=4 5715 B16R1.17465 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCCF 7a_200015395474_100000729493 [0,0,0,1,0,0|3,0,0]=4 5716 B16R1.17465 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCCO 7a_200015395474_100000210776 [0,0,0,1,0,0|3,0,0]=4 5717 B16R1.17465 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCOC 7a_200015395474_100000740836 [0,0,0,1,0,0|3,0,0]=4 5718 B16R1.17465 CCOC(=O)[C@@H]1CCC[C@@H]1OCCSCC 7a_200015395474_100000757381 [0,0,0,1,0,0|3,0,0]=4 5719 B16R1.17465 CCOCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100012232248 [0,0,0,1,0,0|3,0,0]=4 5720 B16R1.17465 CCOCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100012232248 [0,0,0,1,0,0|3,0,0]=4 5721 B16R1.17465 CCOCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100011215890 [0,0,0,1,0,0|3,0,0]=4 5722 B16R1.17792 CCCCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210681 [0,0,0,1,0,0|3,0,0]=4 5723 B16R1.17792 CCCCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210681 [0,0,0,1,0,0|3,0,0]=4 5724 B16R1.17792 CCCCCCCN1CCNC(=O)C1CC 34a_100000187962_100000210614 [0,0,0,1,0,0|3,0,0]=4 5725 B16R1.20656 C=CCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100009814027 [0,0,0,1,0,0|1,0,2]=4 5726 B16R1.20656 CCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011215454 [0,0,0,1,0,0|1,0,0]=2 5727 B16R1.20656 CCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100011215454 [0,0,0,1,0,0|2,0,0]=3 5728 B16R1.20656 CCCCCCCCCCCN(C)C1CC1 2230a_100000226674_100011215454 [0,0,0,1,0,0|3,0,0]=4 5729 B16R1.20656 CCCCCCCCCCCN(C)C1CC1 269982a_100000226674_100011215454 [0,0,0,1,0,0|3,0,0]=4 5730 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 11a_100000684558_100000210395 [0,0,0,1,0,0|2,0,0]=3 5731 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 1626a_100000684558_100000210395 [0,0,0,1,0,0|2,0,0]=3 5732 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 240690a_100000684558_100000210395 [0,0,0,1,0,0|2,0,0]=3 5733 B16R1.20656 CCCCCCCCCCNC(=O)C1CC1 527a_100000684558_100000210395 [0,0,0,1,0,0|2,0,0]=3 5734 B16R1.20656 CCCCCCCCCCNC(=O)C1CO1 11a_100000684558_100000701028 [0,0,0,1,0,0|3,0,0]=4 5735 B16R1.20656 CCCCCCCCCCNC(=O)C1CO1 1626a_100000684558_100000701028 [0,0,0,1,0,0|3,0,0]=4 5736 B16R1.20656 CCCCCCCCCCNC(=O)C1CO1 240690a_100000684558_100000701028 [0,0,0,1,0,0|3,0,0]=4 5737 B16R1.20656 CCCCCCCCCCNC(=O)C1CO1 527a_100000684558_100000701028 [0,0,0,1,0,0|3,0,0]=4 5738 B16R1.20656 CCCCCCCCCNCC(=O)C1CC1 2230a_100000212291_100000746382 [0,0,0,1,0,0|2,0,0]=3 5739 B16R1.20656 CCCCCCCCCNCC(=O)C1CC1 34a_100000212291_100000746382 [0,0,0,1,0,0|2,0,0]=3 5740 B16R1.20656 CCCCCCCCCOCC(=O)C1CC1 34a_100000210712_100000746382 [0,0,0,1,0,0|2,0,0]=3 5741 B16R1.20656 CCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100011214924 [0,0,0,1,0,0|2,0,0]=3 5742 B16R1.20656 CCCCCCCCCOCC(=O)C1CC1 7a_100000210712_100000746382 [0,0,0,1,0,0|2,0,0]=3 5743 B16R1.20656 CCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210670 [0,0,0,1,0,0|2,0,0]=3 5744 B16R1.20656 CCCCCCCCNCOC(=O)C1CC1 2230a_100000229939_100000140896 [0,0,0,1,0,0|3,0,0]=4 5745 B16R1.20656 CCCCCCCCNCOC(=O)C1CC1 34a_100000229939_100000140896 [0,0,0,1,0,0|3,0,0]=4 5746 B16R1.20656 CCCCCCCCOCOC(=O)C1CC1 34a_100000210232_100000140896 [0,0,0,1,0,0|3,0,0]=4 5747 B16R1.20656 CCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210317 [0,0,0,1,0,0|3,0,0]=4 5748 B16R1.20656 CCCCCCCCSCOC(=O)C1CC1 62a_100000210759_100000140896 [0,0,0,1,0,0|3,0,0]=4 5749 B16R1.20656 CCCCCCOCCOCC(=O)C1CC1 34a_100000691444_100000746382 [0,0,0,1,0,0|3,0,0]=4 5750 B16R1.20656 CCCCCCOCCOCC(=O)C1CC1 7a_100000691444_100000746382 [0,0,0,1,0,0|3,0,0]=4 5751 B16R1.20656 CCCCNCCCCOCC(=O)C1CC1 34a_200011216965_100000746382 [0,0,0,1,0,0|3,0,0]=4 5752 B16R1.20656 CCCCOCCCCOCC(=O)C1CC1 34a_200000760531_100000746382 [0,0,0,1,0,0|3,0,0]=4 5753 B16R1.20656 CCCCOCCCCOCC(=O)C1CC1 7a_200000760531_100000746382 [0,0,0,1,0,0|3,0,0]=4 5754 B16R1.20656 NCCCCCCCCOCC(=O)C1CC1 34a_102515433106_100000746382 [0,0,0,1,0,0|3,0,0]=4 5755 B16R1.20656 O=C(CCCCCCCCCCO)C1CC1 1458a_100000210395_100009813290 [0,0,0,1,0,0|2,0,0]=3 5756 B16R1.20656 O=C(CCCCCCCCCCO)C1CO1 1458a_100000701028_100009813290 [0,0,0,1,0,0|3,0,0]=4 5757 B16R1.20656 O=C(CNCCCCCCCCO)C1CC1 2230a_102515433106_100000746382 [0,0,0,1,0,0|3,0,0]=4 5758 B16R1.20656 O=C(CNCCCCCCCCO)C1CC1 34a_102515433106_100000746382 [0,0,0,1,0,0|3,0,0]=4 5759 B16R1.20656 O=C(COCCCCCCCCBr)C1CC1 34a_100009813846_100000746382 [0,0,0,1,0,0|3,0,0]=4 5760 B16R1.20656 O=C(COCCCCCCCCBr)C1CC1 7a_100009813846_100000746382 [0,0,0,1,0,0|3,0,0]=4 5761 B16R1.20656 O=C(COCCCCCCCCCl)C1CC1 34a_100000033203_100000746382 [0,0,0,1,0,0|3,0,0]=4 5762 B16R1.20656 O=C(COCCCCCCCCCl)C1CC1 7a_100000033203_100000746382 [0,0,0,1,0,0|3,0,0]=4 5763 B16R1.20656 O=C(COCCCCCCCCO)C1CC1 34a_100000686663_100000033203 [0,0,0,1,0,0|3,0,0]=4 5764 B16R1.20656 O=C(CSCCCCCCCCO)C1CC1 62a_100000033203_100000746382 [0,0,0,1,0,0|3,0,0]=4 5765 B16R1.20656 O=C(CSCCCCCCCCO)C1CC1 62a_100000746382_100000033203 [0,0,0,1,0,0|3,0,0]=4 5766 B16R1.20656 O=C(NCCCCCCCCCO)C1CC1 240690a_100000078944_100000210395 [0,0,0,1,0,0|3,0,0]=4 5767 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [2,0,0,0,0,0|2,0,0]=4 5768 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [2,0,0,0,0,0|2,0,0]=4 5769 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [2,0,0,0,0,0|2,0,0]=4 5770 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [2,0,0,0,0,0|2,0,0]=4 5771 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [2,0,0,0,0,0|2,0,0]=4 5772 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [2,0,0,0,0,0|2,0,0]=4 5773 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [2,0,0,0,0,0|2,0,0]=4 5774 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [2,0,0,0,0,0|2,0,0]=4 5775 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [2,0,0,0,0,0|2,0,0]=4 5776 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [2,0,0,0,0,0|2,0,0]=4 5777 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [2,0,0,0,0,0|2,0,0]=4 5778 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [2,0,0,0,0,0|2,0,0]=4 5779 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [2,0,0,0,0,0|2,0,0]=4 5780 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [2,0,0,0,0,0|0,0,2]=4 5781 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [2,0,0,0,0,0|1,0,0]=3 5782 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [2,0,0,0,0,0|2,0,0]=4 5783 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [2,0,0,0,0,0|2,0,0]=4 5784 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [2,0,0,0,0,0|2,0,0]=4 5785 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [2,0,0,0,0,0|2,0,0]=4 5786 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [2,0,0,0,0,0|2,0,0]=4 5787 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [2,0,0,0,0,0|2,0,0]=4 5788 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [2,0,0,0,0,0|2,0,0]=4 5789 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [2,0,0,0,0,0|2,0,0]=4 5790 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [2,0,0,0,0,0|2,0,0]=4 5791 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [2,0,0,0,0,0|2,0,0]=4 5792 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [2,0,0,0,0,0|2,0,0]=4 5793 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [2,0,0,0,0,0|2,0,0]=4 5794 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [2,0,0,0,0,0|2,0,0]=4 5795 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [2,0,0,0,0,0|2,0,0]=4 5796 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [2,0,0,0,0,0|2,0,0]=4 5797 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [2,0,0,0,0,0|2,0,0]=4 5798 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [2,0,0,0,0,0|2,0,0]=4 5799 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [2,0,0,0,0,0|2,0,0]=4 5800 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [2,0,0,0,0,0|2,0,0]=4 5801 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [2,0,0,0,0,0|2,0,0]=4 5802 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [2,0,0,0,0,0|2,0,0]=4 5803 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [2,0,0,0,0,0|2,0,0]=4 5804 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [2,0,0,0,0,0|2,0,0]=4 5805 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [2,0,0,0,0,0|2,0,0]=4 5806 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [2,0,0,0,0,0|2,0,0]=4 5807 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [2,0,0,0,0,0|2,0,0]=4 5808 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [2,0,0,0,0,0|2,0,0]=4 5809 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [2,0,0,0,0,0|2,0,0]=4 5810 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [2,0,0,0,0,0|2,0,0]=4 5811 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [2,0,0,0,0,0|2,0,0]=4 5812 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [2,0,0,0,0,0|2,0,0]=4 5813 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [2,0,0,0,0,0|2,0,0]=4 5814 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [2,0,0,0,0,0|2,0,0]=4 5815 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [2,0,0,0,0,0|2,0,0]=4 5816 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [2,0,0,0,0,0|2,0,0]=4 5817 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [2,0,0,0,0,0|0,0,2]=4 5818 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [2,0,0,0,0,0|0,0,2]=4 5819 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [2,0,0,0,0,0|0,0,0]=2 5820 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [2,0,0,0,0,0|0,0,0]=2 5821 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [2,0,0,0,0,0|0,0,0]=2 5822 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [2,0,0,0,0,0|2,0,0]=4 5823 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [2,0,0,0,0,0|2,0,0]=4 5824 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [2,0,0,0,0,0|1,0,0]=3 5825 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [2,0,0,0,0,0|1,0,0]=3 5826 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [2,0,0,0,0,0|1,0,0]=3 5827 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [2,0,0,0,0,0|1,0,0]=3 5828 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [2,0,0,0,0,0|1,0,0]=3 5829 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [2,0,0,0,0,0|1,0,0]=3 5830 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [2,0,0,0,0,0|1,0,0]=3 5831 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [2,0,0,0,0,0|2,0,0]=4 5832 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [2,0,0,0,0,0|2,0,0]=4 5833 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [2,0,0,0,0,0|1,0,0]=3 5834 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [2,0,0,0,0,0|1,0,0]=3 5835 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [2,0,0,0,0,0|1,0,0]=3 5836 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [2,0,0,0,0,0|2,0,0]=4 5837 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [2,0,0,0,0,0|1,0,0]=3 5838 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [2,0,0,0,0,0|2,0,0]=4 5839 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [2,0,0,0,0,0|1,0,0]=3 5840 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [2,0,0,0,0,0|1,0,0]=3 5841 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [2,0,0,0,0,0|2,0,0]=4 5842 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [2,0,0,0,0,0|1,0,0]=3 5843 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [2,0,0,0,0,0|1,0,0]=3 5844 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [2,0,0,0,0,0|1,0,0]=3 5845 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [2,0,0,0,0,0|1,0,0]=3 5846 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [2,0,0,0,0,0|1,0,0]=3 5847 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [2,0,0,0,0,0|1,0,0]=3 5848 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [2,0,0,0,0,0|1,0,0]=3 5849 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [2,0,0,0,0,0|2,0,0]=4 5850 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [2,0,0,0,0,0|1,0,0]=3 5851 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [2,0,0,0,0,0|1,0,0]=3 5852 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [2,0,0,0,0,0|1,0,0]=3 5853 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [2,0,0,0,0,0|1,0,0]=3 5854 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [2,0,0,0,0,0|2,0,0]=4 5855 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [2,0,0,0,0,0|2,0,0]=4 5856 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [2,0,0,0,0,0|1,0,0]=3 5857 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [2,0,0,0,0,0|2,0,0]=4 5858 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [2,0,0,0,0,0|2,0,0]=4 5859 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [2,0,0,0,0,0|2,0,0]=4 5860 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [2,0,0,0,0,0|2,0,0]=4 5861 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [2,0,0,0,0,0|2,0,0]=4 5862 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [2,0,0,0,0,0|1,0,0]=3 5863 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [2,0,0,0,0,0|1,0,0]=3 5864 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [2,0,0,0,0,0|1,0,0]=3 5865 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [2,0,0,0,0,0|1,0,0]=3 5866 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [2,0,0,0,0,0|1,0,0]=3 5867 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [2,0,0,0,0,0|1,0,0]=3 5868 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [2,0,0,0,0,0|2,0,0]=4 5869 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [2,0,0,0,0,0|2,0,0]=4 5870 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [2,0,0,0,0,0|2,0,0]=4 5871 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [2,0,0,0,0,0|2,0,0]=4 5872 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [2,0,0,0,0,0|2,0,0]=4 5873 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [2,0,0,0,0,0|2,0,0]=4 5874 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [2,0,0,0,0,0|2,0,0]=4 5875 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [2,0,0,0,0,0|2,0,0]=4 5876 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [2,0,0,0,0,0|2,0,0]=4 5877 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [2,0,0,0,0,0|1,0,0]=3 5878 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [2,0,0,0,0,0|1,0,0]=3 5879 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [2,0,0,0,0,0|1,0,0]=3 5880 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [2,0,0,0,0,0|1,0,0]=3 5881 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [2,0,0,0,0,0|2,0,0]=4 5882 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [2,0,0,0,0,0|2,0,0]=4 5883 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [2,0,0,0,0,0|2,0,0]=4 5884 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [2,0,0,0,0,0|2,0,0]=4 5885 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [2,0,0,0,0,0|2,0,0]=4 5886 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [2,0,0,0,0,0|2,0,0]=4 5887 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [2,0,0,0,0,0|2,0,0]=4 5888 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [2,0,0,0,0,0|2,0,0]=4 5889 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [2,0,0,0,0,0|1,0,0]=3 5890 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [2,0,0,0,0,0|2,0,0]=4 5891 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [2,0,0,0,0,0|2,0,0]=4 5892 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [2,0,0,0,0,0|2,0,0]=4 5893 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [2,0,0,0,0,0|1,0,0]=3 5894 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [2,0,0,0,0,0|1,0,0]=3 5895 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [2,0,0,0,0,0|1,0,0]=3 5896 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [2,0,0,0,0,0|1,0,0]=3 5897 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [2,0,0,0,0,0|2,0,0]=4 5898 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [2,0,0,0,0,0|2,0,0]=4 5899 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [2,0,0,0,0,0|2,0,0]=4 5900 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [2,0,0,0,0,0|2,0,0]=4 5901 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [2,0,0,0,0,0|2,0,0]=4 5902 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [2,0,0,0,0,0|2,0,0]=4 5903 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [2,0,0,0,0,0|2,0,0]=4 5904 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [2,0,0,0,0,0|2,0,0]=4 5905 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [2,0,0,0,0,0|2,0,0]=4 5906 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [2,0,0,0,0,0|1,0,0]=3 5907 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [2,0,0,0,0,0|1,0,0]=3 5908 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [2,0,0,0,0,0|2,0,0]=4 5909 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [2,0,0,0,0,0|2,0,0]=4 5910 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [2,0,0,0,0,0|2,0,0]=4 5911 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [2,0,0,0,0,0|2,0,0]=4 5912 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [2,0,0,0,0,0|2,0,0]=4 5913 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [2,0,0,0,0,0|2,0,0]=4 5914 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [2,0,0,0,0,0|1,0,0]=3 5915 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [2,0,0,0,0,0|2,0,0]=4 5916 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [2,0,0,0,0,0|2,0,0]=4 5917 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [2,0,0,0,0,0|2,0,0]=4 5918 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [2,0,0,0,0,0|2,0,0]=4 5919 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [2,0,0,0,0,0|1,0,0]=3 5920 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [2,0,0,0,0,0|1,0,0]=3 5921 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [2,0,0,0,0,0|1,0,0]=3 5922 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [2,0,0,0,0,0|1,0,0]=3 5923 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [2,0,0,0,0,0|2,0,0]=4 5924 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [2,0,0,0,0,0|2,0,0]=4 5925 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [2,0,0,0,0,0|2,0,0]=4 5926 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [2,0,0,0,0,0|2,0,0]=4 5927 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [2,0,0,0,0,0|2,0,0]=4 5928 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [2,0,0,0,0,0|2,0,0]=4 5929 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [2,0,0,0,0,0|2,0,0]=4 5930 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [2,0,0,0,0,0|2,0,0]=4 5931 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [2,0,0,0,0,0|2,0,0]=4 5932 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [2,0,0,0,0,0|2,0,0]=4 5933 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [2,0,0,0,0,0|1,0,0]=3 5934 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [2,0,0,0,0,0|1,0,0]=3 5935 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [2,0,0,0,0,0|2,0,0]=4 5936 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [2,0,0,0,0,0|2,0,0]=4 5937 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [2,0,0,0,0,0|2,0,0]=4 5938 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [2,0,0,0,0,0|2,0,0]=4 5939 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [2,0,0,0,0,0|2,0,0]=4 5940 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [2,0,0,0,0,0|2,0,0]=4 5941 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [2,0,0,0,0,0|2,0,0]=4 5942 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [2,0,0,0,0,0|2,0,0]=4 5943 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [2,0,0,0,0,0|2,0,0]=4 5944 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [2,0,0,0,0,0|2,0,0]=4 5945 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [2,0,0,0,0,0|2,0,0]=4 5946 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [2,0,0,0,0,0|2,0,0]=4 5947 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [2,0,0,0,0,0|2,0,0]=4 5948 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [2,0,0,0,0,0|2,0,0]=4 5949 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [2,0,0,0,0,0|2,0,0]=4 5950 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [2,0,0,0,0,0|2,0,0]=4 5951 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [2,0,0,0,0,0|2,0,0]=4 5952 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [2,0,0,0,0,0|2,0,0]=4 5953 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [2,0,0,0,0,0|2,0,0]=4 5954 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [2,0,0,0,0,0|2,0,0]=4 5955 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [2,0,0,0,0,0|2,0,0]=4 5956 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [2,0,0,0,0,0|2,0,0]=4 5957 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [2,0,0,0,0,0|2,0,0]=4 5958 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [2,0,0,0,0,0|2,0,0]=4 5959 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [2,0,0,0,0,0|2,0,0]=4 5960 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [2,0,0,0,0,0|2,0,0]=4 5961 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [2,0,0,0,0,0|2,0,0]=4 5962 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [2,0,0,0,0,0|2,0,0]=4 5963 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [2,0,0,0,0,0|2,0,0]=4 5964 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [2,0,0,0,0,0|2,0,0]=4 5965 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [2,0,0,0,0,0|2,0,0]=4 5966 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [2,0,0,0,0,0|2,0,0]=4 5967 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [2,0,0,0,0,0|2,0,0]=4 5968 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [2,0,0,0,0,0|2,0,0]=4 5969 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [2,0,0,0,0,0|2,0,0]=4 5970 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [2,0,0,0,0,0|2,0,0]=4 5971 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [2,0,0,0,0,0|2,0,0]=4 5972 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [2,0,0,0,0,0|2,0,0]=4 5973 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [2,0,0,0,0,0|2,0,0]=4 5974 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [2,0,0,0,0,0|2,0,0]=4 5975 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [2,0,0,0,0,0|2,0,0]=4 5976 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [2,0,0,0,0,0|2,0,0]=4 5977 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [2,0,0,0,0,0|2,0,0]=4 5978 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [2,0,0,0,0,0|2,0,0]=4 5979 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [2,0,0,0,0,0|2,0,0]=4 5980 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [2,0,0,0,0,0|2,0,0]=4 5981 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [2,0,0,0,0,0|2,0,0]=4 5982 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [2,0,0,0,0,0|2,0,0]=4 5983 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [2,0,0,0,0,0|2,0,0]=4 5984 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [2,0,0,0,0,0|2,0,0]=4 5985 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [2,0,0,0,0,0|2,0,0]=4 5986 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [2,0,0,0,0,0|2,0,0]=4 5987 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [2,0,0,0,0,0|2,0,0]=4 5988 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [2,0,0,0,0,0|2,0,0]=4 5989 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [2,0,0,0,0,0|2,0,0]=4 5990 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [2,0,0,0,0,0|2,0,0]=4 5991 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [2,0,0,0,0,0|2,0,0]=4 5992 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [2,0,0,0,0,0|2,0,0]=4 5993 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [2,0,0,0,0,0|2,0,0]=4 5994 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [2,0,0,0,0,0|2,0,0]=4 5995 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [2,0,0,0,0,0|2,0,0]=4 5996 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [2,0,0,0,0,0|2,0,0]=4 5997 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [2,0,0,0,0,0|2,0,0]=4 5998 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [2,0,0,0,0,0|2,0,0]=4 5999 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [2,0,0,0,0,0|2,0,0]=4 6000 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [2,0,0,0,0,0|2,0,0]=4 6001 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [2,0,0,0,0,0|2,0,0]=4 6002 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [2,0,0,0,0,0|2,0,0]=4 6003 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [2,0,0,0,0,0|2,0,0]=4 6004 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [2,0,0,0,0,0|2,0,0]=4 6005 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [2,0,0,0,0,0|2,0,0]=4 6006 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [2,0,0,0,0,0|2,0,0]=4 6007 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [2,0,0,0,0,0|2,0,0]=4 6008 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [2,0,0,0,0,0|2,0,0]=4 6009 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [2,0,0,0,0,0|2,0,0]=4 6010 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [2,0,0,0,0,0|2,0,0]=4 6011 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [2,0,0,0,0,0|2,0,0]=4 6012 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [2,0,0,0,0,0|2,0,0]=4 6013 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [2,0,0,0,0,0|2,0,0]=4 6014 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [2,0,0,0,0,0|2,0,0]=4 6015 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [2,0,0,0,0,0|2,0,0]=4 6016 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [2,0,0,0,0,0|2,0,0]=4 6017 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [2,0,0,0,0,0|2,0,0]=4 6018 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [2,0,0,0,0,0|2,0,0]=4 6019 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [2,0,0,0,0,0|2,0,0]=4 6020 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [2,0,0,0,0,0|2,0,0]=4 6021 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [2,0,0,0,0,0|2,0,0]=4 6022 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [2,0,0,0,0,0|2,0,0]=4 6023 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [2,0,0,0,0,0|2,0,0]=4 6024 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [2,0,0,0,0,0|2,0,0]=4 6025 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [2,0,0,0,0,0|2,0,0]=4 6026 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [2,0,0,0,0,0|2,0,0]=4 6027 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [2,0,0,0,0,0|2,0,0]=4 6028 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [2,0,0,0,0,0|2,0,0]=4 6029 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [2,0,0,0,0,0|2,0,0]=4 6030 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [2,0,0,0,0,0|2,0,0]=4 6031 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [2,0,0,0,0,0|2,0,0]=4 6032 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [2,0,0,0,0,0|2,0,0]=4 6033 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [2,0,0,0,0,0|2,0,0]=4 6034 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [2,0,0,0,0,0|2,0,0]=4 6035 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [2,0,0,0,0,0|2,0,0]=4 6036 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [2,0,0,0,0,0|2,0,0]=4 6037 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [2,0,0,0,0,0|2,0,0]=4 6038 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [2,0,0,0,0,0|2,0,0]=4 6039 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [2,0,0,0,0,0|2,0,0]=4 6040 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [2,0,0,0,0,0|2,0,0]=4 6041 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [2,0,0,0,0,0|2,0,0]=4 6042 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [2,0,0,0,0,0|2,0,0]=4 6043 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [2,0,0,0,0,0|2,0,0]=4 6044 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [2,0,0,0,0,0|2,0,0]=4 6045 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [2,0,0,0,0,0|2,0,0]=4 6046 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [2,0,0,0,0,0|2,0,0]=4 6047 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [2,0,0,0,0,0|2,0,0]=4 6048 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [2,0,0,0,0,0|2,0,0]=4 6049 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [2,0,0,0,0,0|2,0,0]=4 6050 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [2,0,0,0,0,0|2,0,0]=4 6051 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [2,0,0,0,0,0|2,0,0]=4 6052 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [2,0,0,0,0,0|2,0,0]=4 6053 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [2,0,0,0,0,0|2,0,0]=4 6054 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [2,0,0,0,0,0|2,0,0]=4 6055 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [2,0,0,0,0,0|2,0,0]=4 6056 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [2,0,0,0,0,0|2,0,0]=4 6057 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [2,0,0,0,0,0|2,0,0]=4 6058 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [2,0,0,0,0,0|2,0,0]=4 6059 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [2,0,0,0,0,0|2,0,0]=4 6060 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [2,0,0,0,0,0|2,0,0]=4 6061 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [2,0,0,0,0,0|2,0,0]=4 6062 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [2,0,0,0,0,0|2,0,0]=4 6063 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [2,0,0,0,0,0|2,0,0]=4 6064 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [2,0,0,0,0,0|2,0,0]=4 6065 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [2,0,0,0,0,0|2,0,0]=4 6066 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [2,0,0,0,0,0|2,0,0]=4 6067 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [2,0,0,0,0,0|2,0,0]=4 6068 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [2,0,0,0,0,0|2,0,0]=4 6069 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [2,0,0,0,0,0|2,0,0]=4 6070 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [2,0,0,0,0,0|2,0,0]=4 6071 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [2,0,0,0,0,0|2,0,0]=4 6072 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [2,0,0,0,0,0|2,0,0]=4 6073 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [2,0,0,0,0,0|2,0,0]=4 6074 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [2,0,0,0,0,0|2,0,0]=4 6075 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [2,0,0,0,0,0|2,0,0]=4 6076 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [2,0,0,0,0,0|2,0,0]=4 6077 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [2,0,0,0,0,0|2,0,0]=4 6078 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [2,0,0,0,0,0|2,0,0]=4 6079 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [2,0,0,0,0,0|2,0,0]=4 6080 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [2,0,0,0,0,0|2,0,0]=4 6081 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [2,0,0,0,0,0|2,0,0]=4 6082 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [2,0,0,0,0,0|2,0,0]=4 6083 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [2,0,0,0,0,0|2,0,0]=4 6084 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [2,0,0,0,0,0|2,0,0]=4 6085 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [2,0,0,0,0,0|2,0,0]=4 6086 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [2,0,0,0,0,0|2,0,0]=4 6087 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [2,0,0,0,0,0|2,0,0]=4 6088 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [2,0,0,0,0,0|2,0,0]=4 6089 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [2,0,0,0,0,0|2,0,0]=4 6090 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [2,0,0,0,0,0|2,0,0]=4 6091 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [2,0,0,0,0,0|2,0,0]=4 6092 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [2,0,0,0,0,0|2,0,0]=4 6093 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [2,0,0,0,0,0|2,0,0]=4 6094 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [2,0,0,0,0,0|2,0,0]=4 6095 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [2,0,0,0,0,0|2,0,0]=4 6096 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [2,0,0,0,0,0|2,0,0]=4 6097 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [2,0,0,0,0,0|2,0,0]=4 6098 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [2,0,0,0,0,0|2,0,0]=4 6099 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [2,0,0,0,0,0|2,0,0]=4 6100 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [2,0,0,0,0,0|2,0,0]=4 6101 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [2,0,0,0,0,0|2,0,0]=4 6102 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [2,0,0,0,0,0|0,0,2]=4 6103 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [2,0,0,0,0,0|0,0,2]=4 6104 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [2,0,0,0,0,0|0,0,2]=4 6105 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [2,0,0,0,0,0|0,0,2]=4 6106 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [2,0,0,0,0,0|0,0,2]=4 6107 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [2,0,0,0,0,0|0,0,2]=4 6108 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [2,0,0,0,0,0|0,0,2]=4 6109 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [2,0,0,0,0,0|0,0,2]=4 6110 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [2,0,0,0,0,0|0,0,2]=4 6111 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [2,0,0,0,0,0|0,0,2]=4 6112 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [2,0,0,0,0,0|0,0,2]=4 6113 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [2,0,0,0,0,0|0,0,2]=4 6114 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [2,0,0,0,0,0|0,0,2]=4 6115 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [2,0,0,0,0,0|0,0,2]=4 6116 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [2,0,0,0,0,0|0,0,2]=4 6117 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [2,0,0,0,0,0|0,0,2]=4 6118 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [2,0,0,0,0,0|0,0,2]=4 6119 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [2,0,0,0,0,0|0,0,2]=4 6120 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [2,0,0,0,0,0|0,0,2]=4 6121 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [2,0,0,0,0,0|1,0,0]=3 6122 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [2,0,0,0,0,0|1,0,0]=3 6123 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [2,0,0,0,0,0|2,0,0]=4 6124 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [2,0,0,0,0,0|2,0,0]=4 6125 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [2,0,0,0,0,0|2,0,0]=4 6126 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [2,0,0,0,0,0|2,0,0]=4 6127 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [2,0,0,0,0,0|2,0,0]=4 6128 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [2,0,0,0,0,0|2,0,0]=4 6129 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [2,0,0,0,0,0|2,0,0]=4 6130 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [2,0,0,0,0,0|2,0,0]=4 6131 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [2,0,0,0,0,0|2,0,0]=4 6132 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [2,0,0,0,0,0|0,0,2]=4 6133 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [2,0,0,0,0,0|0,0,2]=4 6134 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [2,0,0,0,0,0|0,0,2]=4 6135 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [2,0,0,0,0,0|0,0,2]=4 6136 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [2,0,0,0,0,0|0,0,0]=2 6137 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [2,0,0,0,0,0|0,0,0]=2 6138 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [2,0,0,0,0,0|1,0,0]=3 6139 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [2,0,0,0,0,0|1,0,0]=3 6140 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [2,0,0,0,0,0|0,0,0]=2 6141 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [2,0,0,0,0,0|0,0,0]=2 6142 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [2,0,0,0,0,0|0,0,0]=2 6143 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [2,0,0,0,0,0|1,0,1]=4 6144 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [2,0,0,0,0,0|2,0,0]=4 6145 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [2,0,0,0,0,0|2,0,0]=4 6146 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [2,0,0,0,0,0|2,0,0]=4 6147 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [2,0,0,0,0,0|2,0,0]=4 6148 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [2,0,0,0,0,0|1,0,0]=3 6149 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [2,0,0,0,0,0|1,0,0]=3 6150 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [2,0,0,0,0,0|1,0,0]=3 6151 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [2,0,0,0,0,0|1,0,0]=3 6152 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [2,0,0,0,0,0|2,0,0]=4 6153 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [2,0,0,0,0,0|2,0,0]=4 6154 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [2,0,0,0,0,0|1,0,0]=3 6155 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [2,0,0,0,0,0|1,0,0]=3 6156 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [2,0,0,0,0,0|1,0,0]=3 6157 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [2,0,0,0,0,0|1,0,0]=3 6158 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [2,0,0,0,0,0|1,0,0]=3 6159 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [2,0,0,0,0,0|1,0,0]=3 6160 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [2,0,0,0,0,0|1,0,0]=3 6161 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [2,0,0,0,0,0|1,0,0]=3 6162 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [2,0,0,0,0,0|1,0,0]=3 6163 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [2,0,0,0,0,0|2,0,0]=4 6164 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [2,0,0,0,0,0|2,0,0]=4 6165 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [2,0,0,0,0,0|1,0,0]=3 6166 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [2,0,0,0,0,0|1,0,0]=3 6167 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [2,0,0,0,0,0|1,0,0]=3 6168 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [2,0,0,0,0,0|2,0,0]=4 6169 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [2,0,0,0,0,0|1,0,0]=3 6170 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [2,0,0,0,0,0|1,0,0]=3 6171 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [2,0,0,0,0,0|1,0,0]=3 6172 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [2,0,0,0,0,0|1,0,0]=3 6173 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [2,0,0,0,0,0|1,0,0]=3 6174 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [2,0,0,0,0,0|1,0,0]=3 6175 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [2,0,0,0,0,0|1,0,0]=3 6176 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [2,0,0,0,0,0|2,0,0]=4 6177 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [2,0,0,0,0,0|2,0,0]=4 6178 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [2,0,0,0,0,0|1,0,0]=3 6179 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [2,0,0,0,0,0|1,0,0]=3 6180 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [2,0,0,0,0,0|1,0,0]=3 6181 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [2,0,0,0,0,0|1,0,0]=3 6182 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [2,0,0,0,0,0|2,0,0]=4 6183 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [2,0,0,0,0,0|2,0,0]=4 6184 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [2,0,0,0,0,0|1,0,0]=3 6185 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [2,0,0,0,0,0|1,0,0]=3 6186 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [2,0,0,0,0,0|1,0,0]=3 6187 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [2,0,0,0,0,0|2,0,0]=4 6188 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [2,0,0,0,0,0|1,0,0]=3 6189 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [2,0,0,0,0,0|1,0,0]=3 6190 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [2,0,0,0,0,0|1,0,0]=3 6191 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [2,0,0,0,0,0|2,0,0]=4 6192 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [2,0,0,0,0,0|2,0,0]=4 6193 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [2,0,0,0,0,0|1,0,0]=3 6194 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [2,0,0,0,0,0|1,0,0]=3 6195 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [2,0,0,0,0,0|2,0,0]=4 6196 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [2,0,0,0,0,0|2,0,0]=4 6197 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [2,0,0,0,0,0|1,0,0]=3 6198 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [2,0,0,0,0,0|1,0,0]=3 6199 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [2,0,0,0,0,0|1,0,0]=3 6200 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [2,0,0,0,0,0|2,0,0]=4 6201 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [2,0,0,0,0,0|2,0,0]=4 6202 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [2,0,0,0,0,0|2,0,0]=4 6203 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [2,0,0,0,0,0|1,0,0]=3 6204 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [2,0,0,0,0,0|1,0,0]=3 6205 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [2,0,0,0,0,0|2,0,0]=4 6206 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [2,0,0,0,0,0|2,0,0]=4 6207 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [2,0,0,0,0,0|2,0,0]=4 6208 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [2,0,0,0,0,0|2,0,0]=4 6209 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [2,0,0,0,0,0|2,0,0]=4 6210 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [2,0,0,0,0,0|2,0,0]=4 6211 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [2,0,0,0,0,0|2,0,0]=4 6212 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [2,0,0,0,0,0|2,0,0]=4 6213 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [2,0,0,0,0,0|1,0,0]=3 6214 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [2,0,0,0,0,0|1,0,0]=3 6215 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [2,0,0,0,0,0|2,0,0]=4 6216 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [2,0,0,0,0,0|2,0,0]=4 6217 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [2,0,0,0,0,0|2,0,0]=4 6218 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [2,0,0,0,0,0|2,0,0]=4 6219 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [2,0,0,0,0,0|2,0,0]=4 6220 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [2,0,0,0,0,0|2,0,0]=4 6221 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [2,0,0,0,0,0|2,0,0]=4 6222 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [2,0,0,0,0,0|2,0,0]=4 6223 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [2,0,0,0,0,0|2,0,0]=4 6224 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [2,0,0,0,0,0|2,0,0]=4 6225 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [2,0,0,0,0,0|2,0,0]=4 6226 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [2,0,0,0,0,0|2,0,0]=4 6227 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [2,0,0,0,0,0|2,0,0]=4 6228 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [2,0,0,0,0,0|2,0,0]=4 6229 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [2,0,0,0,0,0|2,0,0]=4 6230 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [2,0,0,0,0,0|2,0,0]=4 6231 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [2,0,0,0,0,0|2,0,0]=4 6232 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [2,0,0,0,0,0|2,0,0]=4 6233 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [2,0,0,0,0,0|2,0,0]=4 6234 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [2,0,0,0,0,0|2,0,0]=4 6235 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [2,0,0,0,0,0|2,0,0]=4 6236 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [2,0,0,0,0,0|2,0,0]=4 6237 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [2,0,0,0,0,0|2,0,0]=4 6238 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [2,0,0,0,0,0|2,0,0]=4 6239 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [2,0,0,0,0,0|2,0,0]=4 6240 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [2,0,0,0,0,0|2,0,0]=4 6241 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [2,0,0,0,0,0|2,0,0]=4 6242 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [2,0,0,0,0,0|2,0,0]=4 6243 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [2,0,0,0,0,0|2,0,0]=4 6244 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [2,0,0,0,0,0|2,0,0]=4 6245 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [2,0,0,0,0,0|2,0,0]=4 6246 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [2,0,0,0,0,0|2,0,0]=4 6247 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [2,0,0,0,0,0|2,0,0]=4 6248 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [2,0,0,0,0,0|2,0,0]=4 6249 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [2,0,0,0,0,0|2,0,0]=4 6250 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [2,0,0,0,0,0|2,0,0]=4 6251 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [2,0,0,0,0,0|2,0,0]=4 6252 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [2,0,0,0,0,0|2,0,0]=4 6253 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [2,0,0,0,0,0|2,0,0]=4 6254 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [2,0,0,0,0,0|2,0,0]=4 6255 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [2,0,0,0,0,0|2,0,0]=4 6256 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [2,0,0,0,0,0|2,0,0]=4 6257 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [2,0,0,0,0,0|2,0,0]=4 6258 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [2,0,0,0,0,0|2,0,0]=4 6259 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [2,0,0,0,0,0|2,0,0]=4 6260 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [2,0,0,0,0,0|2,0,0]=4 6261 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [2,0,0,0,0,0|2,0,0]=4 6262 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [2,0,0,0,0,0|2,0,0]=4 6263 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [2,0,0,0,0,0|2,0,0]=4 6264 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [2,0,0,0,0,0|2,0,0]=4 6265 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [2,0,0,0,0,0|2,0,0]=4 6266 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [2,0,0,0,0,0|2,0,0]=4 6267 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [2,0,0,0,0,0|2,0,0]=4 6268 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [2,0,0,0,0,0|2,0,0]=4 6269 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [2,0,0,0,0,0|2,0,0]=4 6270 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [2,0,0,0,0,0|2,0,0]=4 6271 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [2,0,0,0,0,0|2,0,0]=4 6272 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [2,0,0,0,0,0|2,0,0]=4 6273 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [2,0,0,0,0,0|2,0,0]=4 6274 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [2,0,0,0,0,0|2,0,0]=4 6275 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [2,0,0,0,0,0|2,0,0]=4 6276 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [2,0,0,0,0,0|2,0,0]=4 6277 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [2,0,0,0,0,0|2,0,0]=4 6278 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [2,0,0,0,0,0|2,0,0]=4 6279 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [2,0,0,0,0,0|2,0,0]=4 6280 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [2,0,0,0,0,0|2,0,0]=4 6281 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [2,0,0,0,0,0|2,0,0]=4 6282 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [2,0,0,0,0,0|2,0,0]=4 6283 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [2,0,0,0,0,0|2,0,0]=4 6284 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [2,0,0,0,0,0|2,0,0]=4 6285 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [2,0,0,0,0,0|2,0,0]=4 6286 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [2,0,0,0,0,0|2,0,0]=4 6287 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [2,0,0,0,0,0|2,0,0]=4 6288 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [2,0,0,0,0,0|2,0,0]=4 6289 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [2,0,0,0,0,0|2,0,0]=4 6290 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [2,0,0,0,0,0|2,0,0]=4 6291 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [2,0,0,0,0,0|1,0,0]=3 6292 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [2,0,0,0,0,0|1,0,0]=3 6293 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [2,0,0,0,0,0|1,0,0]=3 6294 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [2,0,0,0,0,0|1,0,0]=3 6295 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [2,0,0,0,0,0|2,0,0]=4 6296 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [2,0,0,0,0,0|2,0,0]=4 6297 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [2,0,0,0,0,0|2,0,0]=4 6298 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [2,0,0,0,0,0|2,0,0]=4 6299 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [2,0,0,0,0,0|2,0,0]=4 6300 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [2,0,0,0,0,0|2,0,0]=4 6301 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [2,0,0,0,0,0|2,0,0]=4 6302 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [2,0,0,0,0,0|2,0,0]=4 6303 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [2,0,0,0,0,0|2,0,0]=4 6304 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [2,0,0,0,0,0|2,0,0]=4 6305 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [2,0,0,0,0,0|2,0,0]=4 6306 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [2,0,0,0,0,0|2,0,0]=4 6307 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [2,0,0,0,0,0|2,0,0]=4 6308 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [2,0,0,0,0,0|2,0,0]=4 6309 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [2,0,0,0,0,0|2,0,0]=4 6310 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [2,0,0,0,0,0|2,0,0]=4 6311 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [2,0,0,0,0,0|2,0,0]=4 6312 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [2,0,0,0,0,0|2,0,0]=4 6313 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [2,0,0,0,0,0|2,0,0]=4 6314 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [2,0,0,0,0,0|2,0,0]=4 6315 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [2,0,0,0,0,0|2,0,0]=4 6316 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [2,0,0,0,0,0|2,0,0]=4 6317 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [2,0,0,0,0,0|2,0,0]=4 6318 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [2,0,0,0,0,0|2,0,0]=4 6319 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [2,0,0,0,0,0|2,0,0]=4 6320 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [2,0,0,0,0,0|2,0,0]=4 6321 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [2,0,0,0,0,0|2,0,0]=4 6322 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [2,0,0,0,0,0|2,0,0]=4 6323 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [2,0,0,0,0,0|2,0,0]=4 6324 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [2,0,0,0,0,0|2,0,0]=4 6325 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [2,0,0,0,0,0|2,0,0]=4 6326 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [2,0,0,0,0,0|2,0,0]=4 6327 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [2,0,0,0,0,0|2,0,0]=4 6328 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [2,0,0,0,0,0|2,0,0]=4 6329 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [2,0,0,0,0,0|2,0,0]=4 6330 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [2,0,0,0,0,0|2,0,0]=4 6331 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [2,0,0,0,0,0|2,0,0]=4 6332 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [2,0,0,0,0,0|2,0,0]=4 6333 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [2,0,0,0,0,0|2,0,0]=4 6334 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [2,0,0,0,0,0|2,0,0]=4 6335 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [2,0,0,0,0,0|2,0,0]=4 6336 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [2,0,0,0,0,0|2,0,0]=4 6337 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [2,0,0,0,0,0|2,0,0]=4 6338 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [2,0,0,0,0,0|2,0,0]=4 6339 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [2,0,0,0,0,0|2,0,0]=4 6340 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [2,0,0,0,0,0|2,0,0]=4 6341 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [2,0,0,0,0,0|2,0,0]=4 6342 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [2,0,0,0,0,0|2,0,0]=4 6343 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [2,0,0,0,0,0|2,0,0]=4 6344 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [2,0,0,0,0,0|2,0,0]=4 6345 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [2,0,0,0,0,0|2,0,0]=4 6346 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [2,0,0,0,0,0|2,0,0]=4 6347 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [2,0,0,0,0,0|2,0,0]=4 6348 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [2,0,0,0,0,0|2,0,0]=4 6349 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [2,0,0,0,0,0|2,0,0]=4 6350 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [2,0,0,0,0,0|2,0,0]=4 6351 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [2,0,0,0,0,0|2,0,0]=4 6352 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [2,0,0,0,0,0|2,0,0]=4 6353 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [2,0,0,0,0,0|2,0,0]=4 6354 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [2,0,0,0,0,0|2,0,0]=4 6355 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [2,0,0,0,0,0|2,0,0]=4 6356 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [2,0,0,0,0,0|2,0,0]=4 6357 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [2,0,0,0,0,0|2,0,0]=4 6358 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [2,0,0,0,0,0|2,0,0]=4 6359 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [2,0,0,0,0,0|2,0,0]=4 6360 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [2,0,0,0,0,0|2,0,0]=4 6361 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [2,0,0,0,0,0|2,0,0]=4 6362 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [2,0,0,0,0,0|2,0,0]=4 6363 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [2,0,0,0,0,0|2,0,0]=4 6364 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [2,0,0,0,0,0|2,0,0]=4 6365 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [2,0,0,0,0,0|2,0,0]=4 6366 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [2,0,0,0,0,0|2,0,0]=4 6367 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [2,0,0,0,0,0|2,0,0]=4 6368 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [2,0,0,0,0,0|2,0,0]=4 6369 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [2,0,0,0,0,0|2,0,0]=4 6370 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [2,0,0,0,0,0|2,0,0]=4 6371 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [2,0,0,0,0,0|2,0,0]=4 6372 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [2,0,0,0,0,0|2,0,0]=4 6373 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [2,0,0,0,0,0|2,0,0]=4 6374 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [2,0,0,0,0,0|2,0,0]=4 6375 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [2,0,0,0,0,0|2,0,0]=4 6376 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [2,0,0,0,0,0|1,0,1]=4 6377 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [2,0,0,0,0,0|1,0,1]=4 6378 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [2,0,0,0,0,0|1,0,1]=4 6379 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [2,0,0,0,0,0|1,0,1]=4 6380 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [2,0,0,0,0,0|1,0,1]=4 6381 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [2,0,0,0,0,0|1,0,1]=4 6382 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [2,0,0,0,0,0|0,0,2]=4 6383 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [2,0,0,0,0,0|0,0,2]=4 6384 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [2,0,0,0,0,0|0,0,2]=4 6385 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [2,0,0,0,0,0|1,0,1]=4 6386 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [2,0,0,0,0,0|1,0,1]=4 6387 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [2,0,0,0,0,0|0,0,2]=4 6388 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [2,0,0,0,0,0|1,0,1]=4 6389 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [2,0,0,0,0,0|1,0,1]=4 6390 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [2,0,0,0,0,0|1,0,1]=4 6391 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [2,0,0,0,0,0|1,0,1]=4 6392 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [2,0,0,0,0,0|1,0,1]=4 6393 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [2,0,0,0,0,0|1,0,1]=4 6394 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [2,0,0,0,0,0|1,0,1]=4 6395 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [2,0,0,0,0,0|1,0,1]=4 6396 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [2,0,0,0,0,0|1,0,1]=4 6397 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [2,0,0,0,0,0|1,0,1]=4 6398 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [2,0,0,0,0,0|1,0,1]=4 6399 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [2,0,0,0,0,0|1,0,1]=4 6400 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [2,0,0,0,0,0|1,0,1]=4 6401 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [2,0,0,0,0,0|1,0,1]=4 6402 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [2,0,0,0,0,0|1,0,1]=4 6403 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [2,0,0,0,0,0|1,0,1]=4 6404 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [2,0,0,0,0,0|1,0,1]=4 6405 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [2,0,0,0,0,0|1,0,1]=4 6406 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [2,0,0,0,0,0|1,0,1]=4 6407 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [2,0,0,0,0,0|1,0,1]=4 6408 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [2,0,0,0,0,0|1,0,1]=4 6409 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [2,0,0,0,0,0|1,0,1]=4 6410 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [2,0,0,0,0,0|1,0,1]=4 6411 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [2,0,0,0,0,0|1,0,1]=4 6412 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [2,0,0,0,0,0|1,0,1]=4 6413 B13R0.336 CCCCCCCCCC=NNCC 4a_100000756455_100000210895 [2,0,0,0,0,0|1,0,1]=4 6414 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [2,0,0,0,0,0|0,0,1]=3 6415 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [2,0,0,0,0,0|0,0,1]=3 6416 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [2,0,0,0,0,0|0,0,1]=3 6417 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [2,0,0,0,0,0|0,0,1]=3 6418 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [2,0,0,0,0,0|0,0,1]=3 6419 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [2,0,0,0,0,0|0,0,1]=3 6420 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [2,0,0,0,0,0|0,0,1]=3 6421 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [2,0,0,0,0,0|0,0,1]=3 6422 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [2,0,0,0,0,0|1,0,1]=4 6423 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [2,0,0,0,0,0|1,0,1]=4 6424 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [2,0,0,0,0,0|1,0,1]=4 6425 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [2,0,0,0,0,0|1,0,1]=4 6426 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [2,0,0,0,0,0|1,0,1]=4 6427 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [2,0,0,0,0,0|1,0,1]=4 6428 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [2,0,0,0,0,0|1,0,1]=4 6429 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [2,0,0,0,0,0|0,0,0]=2 6430 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [2,0,0,0,0,0|0,0,0]=2 6431 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [2,0,0,0,0,0|0,0,0]=2 6432 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [2,0,0,0,0,0|1,0,0]=3 6433 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [2,0,0,0,0,0|1,0,0]=3 6434 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [2,0,0,0,0,0|1,0,0]=3 6435 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [2,0,0,0,0,0|1,0,0]=3 6436 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [2,0,0,0,0,0|2,0,0]=4 6437 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [2,0,0,0,0,0|2,0,0]=4 6438 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [2,0,0,0,0,0|1,0,0]=3 6439 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [2,0,0,0,0,0|2,0,0]=4 6440 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [2,0,0,0,0,0|1,0,1]=4 6441 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [2,0,0,0,0,0|1,0,1]=4 6442 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [2,0,0,0,0,0|1,0,1]=4 6443 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [2,0,0,0,0,0|1,0,1]=4 6444 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [2,0,0,0,0,0|1,0,1]=4 6445 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [2,0,0,0,0,0|1,0,1]=4 6446 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [2,0,0,0,0,0|1,0,1]=4 6447 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [2,0,0,0,0,0|1,0,1]=4 6448 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [2,0,0,0,0,0|1,0,1]=4 6449 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [2,0,0,0,0,0|1,0,1]=4 6450 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [2,0,0,0,0,0|1,0,1]=4 6451 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [2,0,0,0,0,0|1,0,1]=4 6452 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [2,0,0,0,0,0|1,0,1]=4 6453 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [2,0,0,0,0,0|1,0,1]=4 6454 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [2,0,0,0,0,0|1,0,1]=4 6455 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [2,0,0,0,0,0|2,0,0]=4 6456 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [2,0,0,0,0,0|1,0,1]=4 6457 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [2,0,0,0,0,0|1,0,1]=4 6458 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [2,0,0,0,0,0|1,0,1]=4 6459 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [2,0,0,0,0,0|2,0,0]=4 6460 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [2,0,0,0,0,0|2,0,0]=4 6461 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [2,0,0,0,0,0|2,0,0]=4 6462 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [2,0,0,0,0,0|2,0,0]=4 6463 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [2,0,0,0,0,0|2,0,0]=4 6464 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [2,0,0,0,0,0|2,0,0]=4 6465 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [2,0,0,0,0,0|2,0,0]=4 6466 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [2,0,0,0,0,0|1,0,1]=4 6467 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [2,0,0,0,0,0|1,0,1]=4 6468 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [2,0,0,0,0,0|1,0,1]=4 6469 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [2,0,0,0,0,0|1,0,1]=4 6470 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [2,0,0,0,0,0|1,0,1]=4 6471 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [2,0,0,0,0,0|2,0,0]=4 6472 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [2,0,0,0,0,0|2,0,0]=4 6473 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [2,0,0,0,0,0|2,0,0]=4 6474 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [2,0,0,0,0,0|2,0,0]=4 6475 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [2,0,0,0,0,0|2,0,0]=4 6476 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [2,0,0,0,0,0|2,0,0]=4 6477 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [2,0,0,0,0,0|2,0,0]=4 6478 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [2,0,0,0,0,0|2,0,0]=4 6479 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [2,0,0,0,0,0|1,0,1]=4 6480 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [2,0,0,0,0,0|1,0,1]=4 6481 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [2,0,0,0,0,0|2,0,0]=4 6482 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [2,0,0,0,0,0|2,0,0]=4 6483 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [2,0,0,0,0,0|2,0,0]=4 6484 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [2,0,0,0,0,0|2,0,0]=4 6485 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [2,0,0,0,0,0|1,0,1]=4 6486 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [2,0,0,0,0,0|1,0,1]=4 6487 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [2,0,0,0,0,0|2,0,0]=4 6488 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [2,0,0,0,0,0|2,0,0]=4 6489 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [2,0,0,0,0,0|2,0,0]=4 6490 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [2,0,0,0,0,0|1,0,1]=4 6491 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [2,0,0,0,0,0|1,0,1]=4 6492 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [2,0,0,0,0,0|1,0,1]=4 6493 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [2,0,0,0,0,0|1,0,1]=4 6494 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [2,0,0,0,0,0|2,0,0]=4 6495 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [2,0,0,0,0,0|2,0,0]=4 6496 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [2,0,0,0,0,0|2,0,0]=4 6497 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [2,0,0,0,0,0|2,0,0]=4 6498 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [2,0,0,0,0,0|2,0,0]=4 6499 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [2,0,0,0,0,0|2,0,0]=4 6500 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [2,0,0,0,0,0|1,0,1]=4 6501 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [2,0,0,0,0,0|1,0,1]=4 6502 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [2,0,0,0,0,0|2,0,0]=4 6503 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [2,0,0,0,0,0|2,0,0]=4 6504 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [2,0,0,0,0,0|1,0,1]=4 6505 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [2,0,0,0,0,0|1,0,0]=3 6506 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [2,0,0,0,0,0|1,0,0]=3 6507 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [2,0,0,0,0,0|1,0,0]=3 6508 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [2,0,0,0,0,0|2,0,0]=4 6509 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [2,0,0,0,0,0|2,0,0]=4 6510 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [2,0,0,0,0,0|2,0,0]=4 6511 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [2,0,0,0,0,0|2,0,0]=4 6512 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [2,0,0,0,0,0|2,0,0]=4 6513 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [2,0,0,0,0,0|2,0,0]=4 6514 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [2,0,0,0,0,0|2,0,0]=4 6515 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [2,0,0,0,0,0|2,0,0]=4 6516 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [2,0,0,0,0,0|2,0,0]=4 6517 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [2,0,0,0,0,0|2,0,0]=4 6518 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [2,0,0,0,0,0|2,0,0]=4 6519 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [2,0,0,0,0,0|2,0,0]=4 6520 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [2,0,0,0,0,0|1,0,1]=4 6521 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [2,0,0,0,0,0|1,0,1]=4 6522 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [2,0,0,0,0,0|1,0,1]=4 6523 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [2,0,0,0,0,0|2,0,0]=4 6524 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [2,0,0,0,0,0|0,0,2]=4 6525 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [2,0,0,0,0,0|0,0,2]=4 6526 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [2,0,0,0,0,0|0,0,2]=4 6527 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [2,0,0,0,0,0|0,0,2]=4 6528 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [2,0,0,0,0,0|0,0,2]=4 6529 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [2,0,0,0,0,0|0,0,2]=4 6530 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [2,0,0,0,0,0|1,0,1]=4 6531 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [2,0,0,0,0,0|1,0,1]=4 6532 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [2,0,0,0,0,0|2,0,0]=4 6533 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [2,0,0,0,0,0|0,0,2]=4 6534 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [2,0,0,0,0,0|0,0,2]=4 6535 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [2,0,0,0,0,0|0,0,2]=4 6536 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [2,0,0,0,0,0|0,0,2]=4 6537 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [2,0,0,0,0,0|0,0,2]=4 6538 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [2,0,0,0,0,0|0,0,2]=4 6539 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [2,0,0,0,0,0|0,0,2]=4 6540 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [2,0,0,0,0,0|1,0,0]=3 6541 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [2,0,0,0,0,0|1,0,0]=3 6542 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [2,0,0,0,0,0|2,0,0]=4 6543 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [2,0,0,0,0,0|2,0,0]=4 6544 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [2,0,0,0,0,0|2,0,0]=4 6545 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [2,0,0,0,0,0|2,0,0]=4 6546 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [2,0,0,0,0,0|2,0,0]=4 6547 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [2,0,0,0,0,0|0,0,0]=2 6548 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [2,0,0,0,0,0|0,0,0]=2 6549 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [2,0,0,0,0,0|0,0,0]=2 6550 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [2,0,0,0,0,0|1,0,0]=3 6551 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [2,0,0,0,0,0|1,0,1]=4 6552 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [2,0,0,0,0,0|2,0,0]=4 6553 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [2,0,0,0,0,0|2,0,0]=4 6554 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [2,0,0,0,0,0|2,0,0]=4 6555 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [2,0,0,0,0,0|2,0,0]=4 6556 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [2,0,0,0,0,0|1,0,0]=3 6557 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [2,0,0,0,0,0|1,0,0]=3 6558 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [2,0,0,0,0,0|1,0,0]=3 6559 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [2,0,0,0,0,0|1,0,0]=3 6560 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [2,0,0,0,0,0|1,0,0]=3 6561 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [2,0,0,0,0,0|1,0,0]=3 6562 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [2,0,0,0,0,0|2,0,0]=4 6563 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [2,0,0,0,0,0|2,0,0]=4 6564 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [2,0,0,0,0,0|2,0,0]=4 6565 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [2,0,0,0,0,0|2,0,0]=4 6566 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [2,0,0,0,0,0|1,0,0]=3 6567 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [2,0,0,0,0,0|1,0,0]=3 6568 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [2,0,0,0,0,0|2,0,0]=4 6569 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [2,0,0,0,0,0|2,0,0]=4 6570 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [2,0,0,0,0,0|2,0,0]=4 6571 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [2,0,0,0,0,0|1,0,0]=3 6572 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [2,0,0,0,0,0|1,0,0]=3 6573 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [2,0,0,0,0,0|2,0,0]=4 6574 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [2,0,0,0,0,0|2,0,0]=4 6575 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [2,0,0,0,0,0|2,0,0]=4 6576 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [2,0,0,0,0,0|2,0,0]=4 6577 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [2,0,0,0,0,0|2,0,0]=4 6578 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [2,0,0,0,0,0|2,0,0]=4 6579 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [2,0,0,0,0,0|1,0,0]=3 6580 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [2,0,0,0,0,0|1,0,0]=3 6581 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [2,0,0,0,0,0|2,0,0]=4 6582 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [2,0,0,0,0,0|2,0,0]=4 6583 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [2,0,0,0,0,0|2,0,0]=4 6584 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [2,0,0,0,0,0|2,0,0]=4 6585 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [2,0,0,0,0,0|1,0,0]=3 6586 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [2,0,0,0,0,0|1,0,0]=3 6587 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [2,0,0,0,0,0|2,0,0]=4 6588 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [2,0,0,0,0,0|1,0,0]=3 6589 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [2,0,0,0,0,0|2,0,0]=4 6590 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [2,0,0,0,0,0|2,0,0]=4 6591 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [2,0,0,0,0,0|1,0,0]=3 6592 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [2,0,0,0,0,0|1,0,0]=3 6593 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [2,0,0,0,0,0|2,0,0]=4 6594 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [2,0,0,0,0,0|2,0,0]=4 6595 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [2,0,0,0,0,0|2,0,0]=4 6596 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [2,0,0,0,0,0|2,0,0]=4 6597 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [2,0,0,0,0,0|2,0,0]=4 6598 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [2,0,0,0,0,0|2,0,0]=4 6599 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [2,0,0,0,0,0|2,0,0]=4 6600 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [2,0,0,0,0,0|2,0,0]=4 6601 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [2,0,0,0,0,0|2,0,0]=4 6602 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [2,0,0,0,0,0|2,0,0]=4 6603 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [2,0,0,0,0,0|2,0,0]=4 6604 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [2,0,0,0,0,0|2,0,0]=4 6605 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [2,0,0,0,0,0|2,0,0]=4 6606 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [2,0,0,0,0,0|2,0,0]=4 6607 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [2,0,0,0,0,0|2,0,0]=4 6608 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [2,0,0,0,0,0|2,0,0]=4 6609 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [2,0,0,0,0,0|2,0,0]=4 6610 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [2,0,0,0,0,0|2,0,0]=4 6611 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [2,0,0,0,0,0|2,0,0]=4 6612 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [2,0,0,0,0,0|2,0,0]=4 6613 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [2,0,0,0,0,0|2,0,0]=4 6614 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [2,0,0,0,0,0|2,0,0]=4 6615 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [2,0,0,0,0,0|2,0,0]=4 6616 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [2,0,0,0,0,0|2,0,0]=4 6617 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [2,0,0,0,0,0|2,0,0]=4 6618 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [2,0,0,0,0,0|2,0,0]=4 6619 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [2,0,0,0,0,0|2,0,0]=4 6620 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [2,0,0,0,0,0|2,0,0]=4 6621 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [2,0,0,0,0,0|2,0,0]=4 6622 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [2,0,0,0,0,0|2,0,0]=4 6623 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [2,0,0,0,0,0|2,0,0]=4 6624 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [2,0,0,0,0,0|2,0,0]=4 6625 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [2,0,0,0,0,0|2,0,0]=4 6626 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [2,0,0,0,0,0|2,0,0]=4 6627 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [2,0,0,0,0,0|2,0,0]=4 6628 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [2,0,0,0,0,0|2,0,0]=4 6629 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [2,0,0,0,0,0|2,0,0]=4 6630 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [2,0,0,0,0,0|2,0,0]=4 6631 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [2,0,0,0,0,0|2,0,0]=4 6632 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [2,0,0,0,0,0|2,0,0]=4 6633 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [2,0,0,0,0,0|2,0,0]=4 6634 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [2,0,0,0,0,0|2,0,0]=4 6635 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [2,0,0,0,0,0|2,0,0]=4 6636 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [2,0,0,0,0,0|2,0,0]=4 6637 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [2,0,0,0,0,0|2,0,0]=4 6638 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [2,0,0,0,0,0|2,0,0]=4 6639 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [2,0,0,0,0,0|2,0,0]=4 6640 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [2,0,0,0,0,0|1,0,0]=3 6641 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [2,0,0,0,0,0|2,0,0]=4 6642 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [2,0,0,0,0,0|2,0,0]=4 6643 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [2,0,0,0,0,0|2,0,0]=4 6644 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [2,0,0,0,0,0|2,0,0]=4 6645 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [2,0,0,0,0,0|2,0,0]=4 6646 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [2,0,0,0,0,0|2,0,0]=4 6647 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [2,0,0,0,0,0|2,0,0]=4 6648 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [2,0,0,0,0,0|2,0,0]=4 6649 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [2,0,0,0,0,0|2,0,0]=4 6650 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [2,0,0,0,0,0|2,0,0]=4 6651 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [2,0,0,0,0,0|2,0,0]=4 6652 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [2,0,0,0,0,0|2,0,0]=4 6653 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [2,0,0,0,0,0|2,0,0]=4 6654 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [2,0,0,0,0,0|2,0,0]=4 6655 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [2,0,0,0,0,0|2,0,0]=4 6656 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [2,0,0,0,0,0|2,0,0]=4 6657 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [2,0,0,0,0,0|2,0,0]=4 6658 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [2,0,0,0,0,0|2,0,0]=4 6659 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [2,0,0,0,0,0|2,0,0]=4 6660 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [2,0,0,0,0,0|2,0,0]=4 6661 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [2,0,0,0,0,0|2,0,0]=4 6662 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [2,0,0,0,0,0|2,0,0]=4 6663 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [2,0,0,0,0,0|2,0,0]=4 6664 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [2,0,0,0,0,0|2,0,0]=4 6665 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [2,0,0,0,0,0|2,0,0]=4 6666 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [2,0,0,0,0,0|2,0,0]=4 6667 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [2,0,0,0,0,0|2,0,0]=4 6668 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [2,0,0,0,0,0|2,0,0]=4 6669 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [2,0,0,0,0,0|2,0,0]=4 6670 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [2,0,0,0,0,0|2,0,0]=4 6671 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [2,0,0,0,0,0|2,0,0]=4 6672 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [2,0,0,0,0,0|2,0,0]=4 6673 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [2,0,0,0,0,0|2,0,0]=4 6674 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [2,0,0,0,0,0|2,0,0]=4 6675 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [2,0,0,0,0,0|2,0,0]=4 6676 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [2,0,0,0,0,0|2,0,0]=4 6677 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [2,0,0,0,0,0|2,0,0]=4 6678 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [2,0,0,0,0,0|2,0,0]=4 6679 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [2,0,0,0,0,0|2,0,0]=4 6680 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [2,0,0,0,0,0|2,0,0]=4 6681 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [2,0,0,0,0,0|2,0,0]=4 6682 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [2,0,0,0,0,0|2,0,0]=4 6683 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [2,0,0,0,0,0|2,0,0]=4 6684 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [2,0,0,0,0,0|2,0,0]=4 6685 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [2,0,0,0,0,0|2,0,0]=4 6686 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [2,0,0,0,0,0|2,0,0]=4 6687 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [2,0,0,0,0,0|2,0,0]=4 6688 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [2,0,0,0,0,0|2,0,0]=4 6689 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [2,0,0,0,0,0|2,0,0]=4 6690 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [2,0,0,0,0,0|2,0,0]=4 6691 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [2,0,0,0,0,0|2,0,0]=4 6692 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [2,0,0,0,0,0|2,0,0]=4 6693 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [2,0,0,0,0,0|2,0,0]=4 6694 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [2,0,0,0,0,0|2,0,0]=4 6695 B15R0.81 C#CC(=O)CCCCCCCCCCCC 1458a_100000211873_100000759014 [1,1,0,0,0,0|0,0,2]=4 6696 B15R0.81 C#CC(=O)CCCCCCCCCCCO 1458a_100000211873_100009812471 [1,1,0,0,0,0|0,0,2]=4 6697 B15R0.81 C#CCCCCCCCCOCC(=O)CC 7a_100000065265_100000747405 [1,1,0,0,0,0|0,0,2]=4 6698 B15R0.81 C#CCCCCCCCCOCC(=O)NC 34a_100000065265_100000183359 [1,1,0,0,0,0|0,0,2]=4 6699 B15R0.81 C#CCCCCCCCCOCC(=O)NC 7a_100000065265_100000183359 [1,1,0,0,0,0|0,0,2]=4 6700 B15R0.81 C#CCCCCCCCNCCC(=O)NC 2230a_100000738227_100153394163 [1,1,0,0,0,0|0,0,2]=4 6701 B15R0.81 C#CCCCCCCCNCCC(=O)NC 34a_100000738227_100153394163 [1,1,0,0,0,0|0,0,2]=4 6702 B15R0.81 C#CCCCCCCCOCCC(=O)NC 34a_100000054614_100012179268 [1,1,0,0,0,0|0,0,2]=4 6703 B15R0.81 C#CCCCCCCCOCCC(=O)NC 34a_100000754576_100153394163 [1,1,0,0,0,0|0,0,2]=4 6704 B15R0.81 C#CCCCCCCCOCCC(=O)NC 7a_100000054614_100000737683 [1,1,0,0,0,0|0,0,2]=4 6705 B15R0.81 C#CCCCCCCCSCCC(=O)NC 62a_100000737683_100153394163 [1,1,0,0,0,0|0,0,2]=4 6706 B15R0.81 C#CCCCCCCCSCCC(=O)NC 62a_100153394163_100000737683 [1,1,0,0,0,0|0,0,2]=4 6707 B15R0.81 C#CCCCCCCNCCCC(=O)NC 2230a_100000740002_100012276617 [1,1,0,0,0,0|0,0,2]=4 6708 B15R0.81 C#CCCCCCCNCCCC(=O)NC 34a_100000740002_100012276617 [1,1,0,0,0,0|0,0,2]=4 6709 B15R0.81 C#CCCCCCCOCCCC(=O)NC 34a_100011217361_100000741757 [1,1,0,0,0,0|0,0,2]=4 6710 B15R0.81 C#CCCCCCCOCCCC(=O)NC 7a_100011217361_100000741757 [1,1,0,0,0,0|0,0,2]=4 6711 B15R0.81 C#CCCCCCCSCCCC(=O)NC 62a_100000741757_100012276617 [1,1,0,0,0,0|0,0,2]=4 6712 B15R0.81 C#CCCCCCCSCCCC(=O)NC 62a_100012276617_100000741757 [1,1,0,0,0,0|0,0,2]=4 6713 B15R0.81 C=CC(=O)CCCCCCCCCCCC 1458a_100000185746_100000759014 [1,1,0,0,0,0|0,0,2]=4 6714 B15R0.81 C=CC(=O)CCCCCCCCCCCO 1458a_100000185746_100009812471 [1,1,0,0,0,0|0,0,2]=4 6715 B15R0.81 C=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000185746 [1,1,0,0,0,0|0,0,2]=4 6716 B15R0.81 C=CC(=O)NCCCCCCCCCCC 240690a_200011215754_200121576911 [1,1,0,0,0,0|0,0,2]=4 6717 B15R0.81 C=CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011093070 [1,1,0,0,0,0|0,0,1]=3 6718 B15R0.81 C=CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011093070 [1,1,0,0,0,0|1,0,1]=4 6719 B15R0.81 C=CCCCCCCCCCNC(=O)CC 11a_100000081888_100000210414 [1,1,0,0,0,0|0,0,2]=4 6720 B15R0.81 C=CCCCCCCCCCNC(=O)CC 1626a_100000081888_100000210414 [1,1,0,0,0,0|0,0,2]=4 6721 B15R0.81 C=CCCCCCCCCCNC(=O)CC 240690a_100000081888_100000210414 [1,1,0,0,0,0|0,0,2]=4 6722 B15R0.81 C=CCCCCCCCCCNC(=O)CC 527a_100000081888_100000210414 [1,1,0,0,0,0|0,0,2]=4 6723 B15R0.81 C=CCCCCCCCCCNC(=O)NC 2708a_100000081888_106832991635 [1,1,0,0,0,0|0,0,2]=4 6724 B15R0.81 C=CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000081888 [1,1,0,0,0,0|0,0,2]=4 6725 B15R0.81 C=CCCCCCCCCCNC(=O)NC 273464a_100000081888_100102657272 [1,1,0,0,0,0|0,0,2]=4 6726 B15R0.81 C=CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000081888 [1,1,0,0,0,0|0,0,2]=4 6727 B15R0.81 C=CCCCCCCCCCNC(=O)NC 512a_100000081888_100102657272 [1,1,0,0,0,0|0,0,2]=4 6728 B15R0.81 C=CCCCCCCCCCNC(=O)NC 512a_106832991638_100000081888 [1,1,0,0,0,0|0,0,2]=4 6729 B15R0.81 C=CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011933949 [1,1,0,0,0,0|0,0,2]=4 6730 B15R0.81 C=CCCCCCCCCOCC(=O)CC 34a_100000725409_100011933949 [1,1,0,0,0,0|0,0,2]=4 6731 B15R0.81 C=CCCCCCCCCOCC(=O)CC 7a_100011215194_100000747405 [1,1,0,0,0,0|0,0,2]=4 6732 B15R0.81 C=CCCCCCCCCOCC(=O)NC 34a_100000750040_100011933949 [1,1,0,0,0,0|0,0,2]=4 6733 B15R0.81 C=CCCCCCCCCOCC(=O)NC 34a_100011215194_100000183359 [1,1,0,0,0,0|0,0,2]=4 6734 B15R0.81 C=CCCCCCCCCOCC(=O)NC 7a_100011215194_100000183359 [1,1,0,0,0,0|0,0,2]=4 6735 B15R0.81 C=CCCCCCCCCSCC(=O)CC 62a_100000747405_100011933949 [1,1,0,0,0,0|0,0,2]=4 6736 B15R0.81 C=CCCCCCCCCSCC(=O)CC 62a_100011933949_100000747405 [1,1,0,0,0,0|0,0,2]=4 6737 B15R0.81 C=CCCCCCCCCSCC(=O)NC 62a_100000183359_100011933949 [1,1,0,0,0,0|0,0,2]=4 6738 B15R0.81 C=CCCCCCCCCSCC(=O)NC 62a_100011933949_100000183359 [1,1,0,0,0,0|0,0,2]=4 6739 B15R0.81 C=CCCCCCCCNCCC(=O)NC 2230a_100000738227_100012355270 [1,1,0,0,0,0|0,0,2]=4 6740 B15R0.81 C=CCCCCCCCNCCC(=O)NC 34a_100000738227_100012355270 [1,1,0,0,0,0|0,0,2]=4 6741 B15R0.81 C=CCCCCCCCOCCC(=O)NC 34a_100000730831_100012179268 [1,1,0,0,0,0|0,0,2]=4 6742 B15R0.81 C=CCCCCCCCOCCC(=O)NC 34a_100000754576_100012355270 [1,1,0,0,0,0|0,0,2]=4 6743 B15R0.81 C=CCCCCCCCOCCC(=O)NC 7a_100000730831_100000737683 [1,1,0,0,0,0|0,0,2]=4 6744 B15R0.81 C=CCCCCCCCSCCC(=O)NC 62a_100000737683_100012355270 [1,1,0,0,0,0|0,0,2]=4 6745 B15R0.81 C=CCCCCCCCSCCC(=O)NC 62a_100012355270_100000737683 [1,1,0,0,0,0|0,0,2]=4 6746 B15R0.81 C=CCCCCCCNCCCC(=O)NC 2230a_100000740002_100011215473 [1,1,0,0,0,0|0,0,2]=4 6747 B15R0.81 C=CCCCCCCNCCCC(=O)NC 34a_100000740002_100011215473 [1,1,0,0,0,0|0,0,2]=4 6748 B15R0.81 C=CCCCCCCOCCCC(=O)NC 34a_200011216477_100000741757 [1,1,0,0,0,0|0,0,2]=4 6749 B15R0.81 C=CCCCCCCOCCCC(=O)NC 7a_200011216477_100000741757 [1,1,0,0,0,0|0,0,2]=4 6750 B15R0.81 C=CCCCCCCSCCCC(=O)NC 62a_100000741757_100011215473 [1,1,0,0,0,0|0,0,2]=4 6751 B15R0.81 C=CCCCCCCSCCCC(=O)NC 62a_100011215473_100000741757 [1,1,0,0,0,0|0,0,2]=4 6752 B15R0.81 CC/C=C\CCCCCNCCC(=O)NC 269862a_100000738227_100016288537 [1,1,0,0,0,0|0,0,2]=4 6753 B15R0.81 CC/C=C\CCCCCOCCC(=O)NC 34a_100016268722_100012179268 [1,1,0,0,0,0|0,0,2]=4 6754 B15R0.81 CC/C=C\CCCCCOCCC(=O)NC 7a_100016268722_100000737683 [1,1,0,0,0,0|0,0,2]=4 6755 B15R0.81 CC/C=C\CCCCOCCCC(=O)NC 34a_100016287862_100000741757 [1,1,0,0,0,0|0,0,2]=4 6756 B15R0.81 CC/C=C\CCCCOCCCC(=O)NC 7a_100016287862_100000741757 [1,1,0,0,0,0|0,0,2]=4 6757 B15R0.81 CCC#CCCCCCCNCC(=O)NC 2230a_100000693194_200000036426 [1,1,0,0,0,0|0,0,2]=4 6758 B15R0.81 CCC#CCCCCCCOCC(=O)CC 34a_100000725409_200000036426 [1,1,0,0,0,0|0,0,2]=4 6759 B15R0.81 CCC#CCCCCCCOCC(=O)NC 34a_100000750040_200000036426 [1,1,0,0,0,0|0,0,2]=4 6760 B15R0.81 CCC#CCCCCCCSCC(=O)CC 62a_100000747405_200000036426 [1,1,0,0,0,0|0,0,2]=4 6761 B15R0.81 CCC#CCCCCCCSCC(=O)CC 62a_200000036426_100000747405 [1,1,0,0,0,0|0,0,2]=4 6762 B15R0.81 CCC#CCCCCCCSCC(=O)NC 62a_100000183359_200000036426 [1,1,0,0,0,0|0,0,2]=4 6763 B15R0.81 CCC#CCCCCCCSCC(=O)NC 62a_200000036426_100000183359 [1,1,0,0,0,0|0,0,2]=4 6764 B15R0.81 CCC(=O)CCCCCCCCCCCO 1458a_100000210414_100009812471 [1,1,0,0,0,0|0,0,0]=2 6765 B15R0.81 CCC(=O)COCCCCCCCCCBr 7a_100009813782_100000747405 [1,1,0,0,0,0|1,0,0]=3 6766 B15R0.81 CCC(=O)COCCCCCCCCCCl 7a_100009868337_100000747405 [1,1,0,0,0,0|1,0,0]=3 6767 B15R0.81 CCC(=O)COCCCCCCCCCO 34a_100000725409_100009813782 [1,1,0,0,0,0|1,0,0]=3 6768 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100000747405_100009813782 [1,1,0,0,0,0|1,0,0]=3 6769 B15R0.81 CCC(=O)CSCCCCCCCCCO 62a_100009813782_100000747405 [1,1,0,0,0,0|1,0,0]=3 6770 B15R0.81 CCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210414 [1,1,0,0,0,0|1,0,0]=3 6771 B15R0.81 CCC(=O)NCCNCCCCCCCO 34a_100132302217_100000760002 [1,1,0,0,0,0|2,0,0]=4 6772 B15R0.81 CCC(=O)NCCNCCCCCCOC 34a_100132302217_100011998445 [1,1,0,0,0,0|2,0,0]=4 6773 B15R0.81 CCC(=O)NCCOCCCCCCCO 34a_200000158885_100000760002 [1,1,0,0,0,0|2,0,0]=4 6774 B15R0.81 CCC(=O)NCCOCCCCCCCO 7a_200000158885_100000760002 [1,1,0,0,0,0|2,0,0]=4 6775 B15R0.81 CCC(=O)NCCOCCCCCCOC 34a_200000158885_100011998445 [1,1,0,0,0,0|2,0,0]=4 6776 B15R0.81 CCC(=O)NCCOCCCCCCOC 7a_200000158885_100011998445 [1,1,0,0,0,0|2,0,0]=4 6777 B15R0.81 CCC(=O)OCCOCCCCCCCO 7a_200000031056_100000760002 [1,1,0,0,0,0|2,0,0]=4 6778 B15R0.81 CCC(=O)OCCOCCCCCCOC 7a_200000031056_100011998445 [1,1,0,0,0,0|2,0,0]=4 6779 B15R0.81 CCCC/C=C/CCCCOCC(=O)CC 7a_200020645093_100000747405 [1,1,0,0,0,0|0,0,2]=4 6780 B15R0.81 CCCC/C=C/CCCCOCC(=O)NC 34a_200020645093_100000183359 [1,1,0,0,0,0|0,0,2]=4 6781 B15R0.81 CCCC/C=C/CCCCOCC(=O)NC 7a_200020645093_100000183359 [1,1,0,0,0,0|0,0,2]=4 6782 B15R0.81 CCCC/C=C\CCOCCCC(=O)NC 34a_200016286491_100000741757 [1,1,0,0,0,0|0,0,2]=4 6783 B15R0.81 CCCC/C=C\CCOCCCC(=O)NC 7a_200016286491_100000741757 [1,1,0,0,0,0|0,0,2]=4 6784 B15R0.81 CCCCC#CCCCCCCC(=O)CC 1458a_100000210414_200000043322 [1,1,0,0,0,0|0,0,1]=3 6785 B15R0.81 CCCCC#CCCCCCCC(=O)CO 1458a_100000210174_200000043322 [1,1,0,0,0,0|1,0,1]=4 6786 B15R0.81 CCCCC#CCCCCOCC(=O)CC 7a_200000066234_100000747405 [1,1,0,0,0,0|0,0,2]=4 6787 B15R0.81 CCCCC#CCCCCOCC(=O)NC 34a_200000066234_100000183359 [1,1,0,0,0,0|0,0,2]=4 6788 B15R0.81 CCCCC#CCCCCOCC(=O)NC 7a_200000066234_100000183359 [1,1,0,0,0,0|0,0,2]=4 6789 B15R0.81 CCCCC#CCCCNCCC(=O)NC 2230a_100000738227_200000047210 [1,1,0,0,0,0|0,0,2]=4 6790 B15R0.81 CCCCC#CCCCNCCC(=O)NC 34a_100000738227_200000047210 [1,1,0,0,0,0|0,0,2]=4 6791 B15R0.81 CCCCC#CCCCOCCC(=O)NC 34a_100000754576_200000047210 [1,1,0,0,0,0|0,0,2]=4 6792 B15R0.81 CCCCC#CCCCSCCC(=O)NC 62a_100000737683_200000047210 [1,1,0,0,0,0|0,0,2]=4 6793 B15R0.81 CCCCC#CCCCSCCC(=O)NC 62a_200000047210_100000737683 [1,1,0,0,0,0|0,0,2]=4 6794 B15R0.81 CCCCC#CCCOCCCC(=O)NC 34a_100000037610_100000741757 [1,1,0,0,0,0|0,0,2]=4 6795 B15R0.81 CCCCC#CCCOCCCC(=O)NC 7a_100000037610_100000741757 [1,1,0,0,0,0|0,0,2]=4 6796 B15R0.81 CCCCC/C=C/COCCCC(=O)NC 34a_100016258190_100000741757 [1,1,0,0,0,0|0,0,2]=4 6797 B15R0.81 CCCCC/C=C/COCCCC(=O)NC 7a_100016258190_100000741757 [1,1,0,0,0,0|0,0,2]=4 6798 B15R0.81 CCCCC/C=C\CCCOCC(=O)CC 7a_100020655193_100000747405 [1,1,0,0,0,0|0,0,2]=4 6799 B15R0.81 CCCCC/C=C\CCCOCC(=O)NC 34a_100020655193_100000183359 [1,1,0,0,0,0|0,0,2]=4 6800 B15R0.81 CCCCC/C=C\CCCOCC(=O)NC 7a_100020655193_100000183359 [1,1,0,0,0,0|0,0,2]=4 6801 B15R0.81 CCCCC/C=C\CCOCCC(=O)NC 34a_100016277358_100012179268 [1,1,0,0,0,0|0,0,2]=4 6802 B15R0.81 CCCCC/C=C\CCOCCC(=O)NC 7a_100016277358_100000737683 [1,1,0,0,0,0|0,0,2]=4 6803 B15R0.81 CCCCCC#CCCOCCC(=O)NC 34a_200000042877_100012179268 [1,1,0,0,0,0|0,0,2]=4 6804 B15R0.81 CCCCCC#CCCOCCC(=O)NC 7a_200000042877_100000737683 [1,1,0,0,0,0|0,0,2]=4 6805 B15R0.81 CCCCCC#CCNCCCC(=O)NC 2230a_100000740002_100009816472 [1,1,0,0,0,0|0,0,2]=4 6806 B15R0.81 CCCCCC#CCNCCCC(=O)NC 34a_100000740002_100009816472 [1,1,0,0,0,0|0,0,2]=4 6807 B15R0.81 CCCCCC#CCOCCCC(=O)NC 34a_200000033628_100000741757 [1,1,0,0,0,0|0,0,2]=4 6808 B15R0.81 CCCCCC#CCOCCCC(=O)NC 7a_200000033628_100000741757 [1,1,0,0,0,0|0,0,2]=4 6809 B15R0.81 CCCCCC#CCSCCCC(=O)NC 62a_100000741757_100009816472 [1,1,0,0,0,0|0,0,2]=4 6810 B15R0.81 CCCCCC#CCSCCCC(=O)NC 62a_100009816472_100000741757 [1,1,0,0,0,0|0,0,2]=4 6811 B15R0.81 CCCCCC/C=C/COCCC(=O)NC 34a_200016276170_100012179268 [1,1,0,0,0,0|0,0,2]=4 6812 B15R0.81 CCCCCC/C=C/COCCC(=O)NC 7a_200016276170_100000737683 [1,1,0,0,0,0|0,0,2]=4 6813 B15R0.81 CCCCCCC#CCCOCC(=O)CC 7a_200000033163_100000747405 [1,1,0,0,0,0|0,0,2]=4 6814 B15R0.81 CCCCCCC#CCCOCC(=O)NC 34a_200000033163_100000183359 [1,1,0,0,0,0|0,0,2]=4 6815 B15R0.81 CCCCCCC#CCCOCC(=O)NC 7a_200000033163_100000183359 [1,1,0,0,0,0|0,0,2]=4 6816 B15R0.81 CCCCCCC#CCOCCC(=O)NC 34a_200000037284_100012179268 [1,1,0,0,0,0|0,0,2]=4 6817 B15R0.81 CCCCCCC#CCOCCC(=O)NC 7a_200000037284_100000737683 [1,1,0,0,0,0|0,0,2]=4 6818 B15R0.81 CCCCCCCC#CCOCC(=O)CC 7a_200000061759_100000747405 [1,1,0,0,0,0|0,0,2]=4 6819 B15R0.81 CCCCCCCC#CCOCC(=O)NC 34a_200000061759_100000183359 [1,1,0,0,0,0|0,0,2]=4 6820 B15R0.81 CCCCCCCC#CCOCC(=O)NC 7a_200000061759_100000183359 [1,1,0,0,0,0|0,0,2]=4 6821 B15R0.81 CCCCCCCCCC=NNC(=O)CC 4a_100000183195_100000210895 [1,1,0,0,0,0|1,0,1]=4 6822 B15R0.81 CCCCCCCCCCC=CC(=O)NC 11a_106832991635_100015291182 [1,1,0,0,0,0|0,0,1]=3 6823 B15R0.81 CCCCCCCCCCC=CC(=O)NC 1626a_100102657272_100015291182 [1,1,0,0,0,0|0,0,1]=3 6824 B15R0.81 CCCCCCCCCCC=CC(=O)NC 240690a_100102657272_100015291182 [1,1,0,0,0,0|0,0,1]=3 6825 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100000210414_100000759014 [1,1,0,0,0,0|0,0,0]=2 6826 B15R0.81 CCCCCCCCCCCCC(=O)CC 1458a_100011215791_100000210202 [1,1,0,0,0,0|0,0,0]=2 6827 B15R0.81 CCCCCCCCCCCCC(=O)CF 1458a_100011215791_100015361967 [1,1,0,0,0,0|1,0,0]=3 6828 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [1,1,0,0,0,0|1,0,0]=3 6829 B15R0.81 CCCCCCCCCCCCC(=O)NC 11a_106832991635_100011215791 [1,1,0,0,0,0|0,0,0]=2 6830 B15R0.81 CCCCCCCCCCCCC(=O)NC 1626a_100102657272_100011215791 [1,1,0,0,0,0|0,0,0]=2 6831 B15R0.81 CCCCCCCCCCCCC(=O)NC 240690a_100102657272_100011215791 [1,1,0,0,0,0|0,0,0]=2 6832 B15R0.81 CCCCCCCCCCCCC(C)NC 2230a_106832991635_200011217028 [1,1,0,0,0,0|1,0,1]=4 6833 B15R0.81 CCCCCCCCCCCCC(C)NC 270004a_106832991635_100011219199 [1,1,0,0,0,0|1,0,1]=4 6834 B15R0.81 CCCCCCCCCCCCC(C)NC 34a_100102657272_200011217028 [1,1,0,0,0,0|1,0,1]=4 6835 B15R0.81 CCCCCCCCCCCCC(C)NC 7a_106832991635_200011217028 [1,1,0,0,0,0|1,0,1]=4 6836 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000225621_100011215052 [1,1,0,0,0,0|2,0,0]=4 6837 B15R0.81 CCCCCCCCCCCCN(C)CC 2230a_100000227908_100000210202 [1,1,0,0,0,0|2,0,0]=4 6838 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000225621_100000759014 [1,1,0,0,0,0|2,0,0]=4 6839 B15R0.81 CCCCCCCCCCCCN(C)CC 269982a_100000227908_100000204670 [1,1,0,0,0,0|2,0,0]=4 6840 B15R0.81 CCCCCCCCCCCNC(=O)CC 11a_200011215754_100000210414 [1,1,0,0,0,0|0,0,0]=2 6841 B15R0.81 CCCCCCCCCCCNC(=O)CC 1626a_200011215754_100000210414 [1,1,0,0,0,0|0,0,0]=2 6842 B15R0.81 CCCCCCCCCCCNC(=O)CC 240690a_200011215754_100000210414 [1,1,0,0,0,0|0,0,0]=2 6843 B15R0.81 CCCCCCCCCCCNC(=O)CC 527a_200011215754_100000210414 [1,1,0,0,0,0|0,0,0]=2 6844 B15R0.81 CCCCCCCCCCCNC(=O)CO 240690a_200011215754_100000210174 [1,1,0,0,0,0|1,0,0]=3 6845 B15R0.81 CCCCCCCCCCCNC(=O)CO 527a_200011215754_100000210174 [1,1,0,0,0,0|1,0,0]=3 6846 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_100102657272_200011215754 [1,1,0,0,0,0|0,0,0]=2 6847 B15R0.81 CCCCCCCCCCCNC(=O)NC 2708a_200011215754_106832991635 [1,1,0,0,0,0|0,0,0]=2 6848 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_100102657272_200011215754 [1,1,0,0,0,0|0,0,0]=2 6849 B15R0.81 CCCCCCCCCCCNC(=O)NC 273464a_200011215754_100102657272 [1,1,0,0,0,0|0,0,0]=2 6850 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_106832991638_200011215754 [1,1,0,0,0,0|0,0,0]=2 6851 B15R0.81 CCCCCCCCCCCNC(=O)NC 512a_200011215754_100102657272 [1,1,0,0,0,0|0,0,0]=2 6852 B15R0.81 CCCCCCCCCCCNC(C)CC 2230a_100000209981_100011215454 [1,1,0,0,0,0|1,0,1]=4 6853 B15R0.81 CCCCCCCCCCCNC(C)CC 2230a_200011215754_100000758301 [1,1,0,0,0,0|1,0,1]=4 6854 B15R0.81 CCCCCCCCCCCNC(C)CC 34a_200011215754_100011215416 [1,1,0,0,0,0|1,0,1]=4 6855 B15R0.81 CCCCCCCCCCCOC(C)CC 34a_100000210809_100011215416 [1,1,0,0,0,0|1,0,1]=4 6856 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210228_100011215454 [1,1,0,0,0,0|1,0,1]=4 6857 B15R0.81 CCCCCCCCCCCOC(C)CC 7a_100000210809_100000758301 [1,1,0,0,0,0|1,0,1]=4 6858 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000684558_100000183359 [1,1,0,0,0,0|0,0,0]=2 6859 B15R0.81 CCCCCCCCCCNCC(=O)NC 2230a_100000693194_100000210320 [1,1,0,0,0,0|0,0,0]=2 6860 B15R0.81 CCCCCCCCCCNCC(=O)NC 34a_100000684558_100000183359 [1,1,0,0,0,0|0,0,0]=2 6861 B15R0.81 CCCCCCCCCCNCC(=O)OC 2230a_100000684558_100000747449 [1,1,0,0,0,0|1,0,0]=3 6862 B15R0.81 CCCCCCCCCCNCC(=O)OC 34a_100000684558_100000747449 [1,1,0,0,0,0|1,0,0]=3 6863 B15R0.81 CCCCCCCCCCNCC(C)CC 2230a_100000684558_100000748023 [1,1,0,0,0,0|1,0,1]=4 6864 B15R0.81 CCCCCCCCCCNCC(C)CC 2230a_100020588543_100000210320 [1,1,0,0,0,0|1,0,1]=4 6865 B15R0.81 CCCCCCCCCCNCC(C)CC 270004a_100000684558_100000243153 [1,1,0,0,0,0|1,0,1]=4 6866 B15R0.81 CCCCCCCCCCNCC(C)CC 34a_100000684558_100000748023 [1,1,0,0,0,0|1,0,1]=4 6867 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100000684558_100011218378 [1,1,0,0,0,0|0,0,2]=4 6868 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100011218483_100000210320 [1,1,0,0,0,0|0,0,2]=4 6869 B15R0.81 CCCCCCCCCCNCC(O)CC 34a_100000684558_100011218378 [1,1,0,0,0,0|0,0,2]=4 6870 B15R0.81 CCCCCCCCCCNC[C@@H](C)CC 2230a_100000684558_100009816398 [1,1,0,0,0,0|1,0,1]=4 6871 B15R0.81 CCCCCCCCCCNC[C@@H](C)CC 34a_100000684558_100009816398 [1,1,0,0,0,0|1,0,1]=4 6872 B15R0.81 CCCCCCCCCCOCC(=O)CC 34a_100000725409_100000210320 [1,1,0,0,0,0|0,0,0]=2 6873 B15R0.81 CCCCCCCCCCOCC(=O)CC 7a_100000210711_100000747405 [1,1,0,0,0,0|0,0,0]=2 6874 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000210711_100000183359 [1,1,0,0,0,0|0,0,0]=2 6875 B15R0.81 CCCCCCCCCCOCC(=O)NC 34a_100000750040_100000210320 [1,1,0,0,0,0|0,0,0]=2 6876 B15R0.81 CCCCCCCCCCOCC(=O)NC 7a_100000210711_100000183359 [1,1,0,0,0,0|0,0,0]=2 6877 B15R0.81 CCCCCCCCCCOCC(=O)OC 34a_100000210711_100000747449 [1,1,0,0,0,0|1,0,0]=3 6878 B15R0.81 CCCCCCCCCCOCC(=O)OC 7a_100000210711_100000747449 [1,1,0,0,0,0|1,0,0]=3 6879 B15R0.81 CCCCCCCCCCOCC(C)CC 34a_100000210711_100000748023 [1,1,0,0,0,0|1,0,1]=4 6880 B15R0.81 CCCCCCCCCCOCC(C)CC 7a_100000210711_100000748023 [1,1,0,0,0,0|1,0,1]=4 6881 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [1,1,0,0,0,0|0,0,2]=4 6882 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [1,1,0,0,0,0|0,0,2]=4 6883 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 34a_100000210711_100009816398 [1,1,0,0,0,0|1,0,1]=4 6884 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100000210711_100009816398 [1,1,0,0,0,0|1,0,1]=4 6885 B15R0.81 CCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210320 [1,1,0,0,0,0|1,0,1]=4 6886 B15R0.81 CCCCCCCCCCSCC(=O)CC 62a_100000747405_100000210320 [1,1,0,0,0,0|0,0,0]=2 6887 B15R0.81 CCCCCCCCCCSCC(=O)NC 62a_100000183359_100000210320 [1,1,0,0,0,0|0,0,0]=2 6888 B15R0.81 CCCCCCCCCCSCC(=O)OC 62a_100000747449_100000210320 [1,1,0,0,0,0|1,0,0]=3 6889 B15R0.81 CCCCCCCCCCSCC(C)CC 62a_100000748023_100000210320 [1,1,0,0,0,0|1,0,1]=4 6890 B15R0.81 CCCCCCCCCCSCC(O)CC 62a_100011218378_100000210320 [1,1,0,0,0,0|0,0,2]=4 6891 B15R0.81 CCCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210320 [1,1,0,0,0,0|1,0,1]=4 6892 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000212291_100000737683 [1,1,0,0,0,0|0,0,0]=2 6893 B15R0.81 CCCCCCCCCNCCC(=O)NC 2230a_100000738227_100011214924 [1,1,0,0,0,0|0,0,0]=2 6894 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000212291_100012179268 [1,1,0,0,0,0|0,0,0]=2 6895 B15R0.81 CCCCCCCCCNCCC(=O)NC 34a_100000738227_100011214924 [1,1,0,0,0,0|0,0,0]=2 6896 B15R0.81 CCCCCCCCCNCCC(=O)OC 2230a_100000212291_100000204255 [1,1,0,0,0,0|1,0,0]=3 6897 B15R0.81 CCCCCCCCCNCCC(=O)OC 34a_100000212291_100000742370 [1,1,0,0,0,0|1,0,0]=3 6898 B15R0.81 CCCCCCCCCNCCC(C)CC 2230a_100020591266_100011214924 [1,1,0,0,0,0|1,0,1]=4 6899 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000210712_100012179268 [1,1,0,0,0,0|0,0,0]=2 6900 B15R0.81 CCCCCCCCCOCCC(=O)NC 34a_100000754576_100011214924 [1,1,0,0,0,0|0,0,0]=2 6901 B15R0.81 CCCCCCCCCOCCC(=O)NC 7a_100000210712_100000737683 [1,1,0,0,0,0|0,0,0]=2 6902 B15R0.81 CCCCCCCCCOCCC(=O)OC 34a_100000210712_100000742370 [1,1,0,0,0,0|1,0,0]=3 6903 B15R0.81 CCCCCCCCCOCCC(=O)OC 7a_100000210712_100000204255 [1,1,0,0,0,0|1,0,0]=3 6904 B15R0.81 CCCCCCCCCOCCC(C)CC 7a_100011215188_100000210328 [1,1,0,0,0,0|1,0,1]=4 6905 B15R0.81 CCCCCCCCCSCCC(=O)NC 62a_100000737683_100000210670 [1,1,0,0,0,0|0,0,0]=2 6906 B15R0.81 CCCCCCCCCSCCC(=O)OC 62a_100000204255_100000210670 [1,1,0,0,0,0|1,0,0]=3 6907 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000229939_100000741757 [1,1,0,0,0,0|0,0,0]=2 6908 B15R0.81 CCCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210759 [1,1,0,0,0,0|0,0,0]=2 6909 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000229939_100000741757 [1,1,0,0,0,0|0,0,0]=2 6910 B15R0.81 CCCCCCCCNCCCC(=O)NC 34a_100000740002_100000210759 [1,1,0,0,0,0|0,0,0]=2 6911 B15R0.81 CCCCCCCCNCCCC(=O)OC 2230a_100000229939_100011218270 [1,1,0,0,0,0|1,0,0]=3 6912 B15R0.81 CCCCCCCCNCCCC(=O)OC 34a_100000229939_100000742333 [1,1,0,0,0,0|1,0,0]=3 6913 B15R0.81 CCCCCCCCNCCCN(C)CC 2230a_100000229939_100015186262 [1,1,0,0,0,0|2,0,0]=4 6914 B15R0.81 CCCCCCCCNCCNC(=O)CC 34a_100132302217_100000210759 [1,1,0,0,0,0|1,0,0]=3 6915 B15R0.81 CCCCCCCCNCCNC(=O)NC 34a_100015205895_100000210759 [1,1,0,0,0,0|1,0,0]=3 6916 B15R0.81 CCCCCCCCNCCOC(=O)NC 34a_100000229939_200011997002 [1,1,0,0,0,0|1,0,0]=3 6917 B15R0.81 CCCCCCCCOCCCC(=O)NC 34a_100000210232_100000741757 [1,1,0,0,0,0|0,0,0]=2 6918 B15R0.81 CCCCCCCCOCCCC(=O)NC 7a_100000210232_100000741757 [1,1,0,0,0,0|0,0,0]=2 6919 B15R0.81 CCCCCCCCOCCCC(=O)NN 34a_100000211488_100000210759 [1,1,0,0,0,0|1,0,0]=3 6920 B15R0.81 CCCCCCCCOCCCC(=O)OC 34a_100000210232_100000742333 [1,1,0,0,0,0|1,0,0]=3 6921 B15R0.81 CCCCCCCCOCCCC(=O)OC 7a_100000210232_100011218270 [1,1,0,0,0,0|1,0,0]=3 6922 B15R0.81 CCCCCCCCOCCCC(C)CC 7a_100011216074_100000210759 [1,1,0,0,0,0|1,0,1]=4 6923 B15R0.81 CCCCCCCCOCCCN(C)CC 7a_100000210232_100015186262 [1,1,0,0,0,0|2,0,0]=4 6924 B15R0.81 CCCCCCCCOCCNC(=O)CC 34a_200000158885_100000210759 [1,1,0,0,0,0|1,0,0]=3 6925 B15R0.81 CCCCCCCCOCCNC(=O)CC 7a_200000158885_100000210759 [1,1,0,0,0,0|1,0,0]=3 6926 B15R0.81 CCCCCCCCOCCNC(=O)OC 34a_100000757965_100000210759 [1,1,0,0,0,0|2,0,0]=4 6927 B15R0.81 CCCCCCCCOCCOC(=O)CC 7a_200000031056_100000210759 [1,1,0,0,0,0|1,0,0]=3 6928 B15R0.81 CCCCCCCCOCCOC(=O)NC 34a_100000210232_200011997002 [1,1,0,0,0,0|1,0,0]=3 6929 B15R0.81 CCCCCCCCOCCOC(=O)NC 7a_100000210232_200011997002 [1,1,0,0,0,0|1,0,0]=3 6930 B15R0.81 CCCCCCCCOCCOC(=O)OC 34a_100010262106_100000210759 [1,1,0,0,0,0|2,0,0]=4 6931 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000210759_100000741757 [1,1,0,0,0,0|0,0,0]=2 6932 B15R0.81 CCCCCCCCSCCCC(=O)NC 62a_100000741757_100000210317 [1,1,0,0,0,0|0,0,0]=2 6933 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100000210759_100011218270 [1,1,0,0,0,0|1,0,0]=3 6934 B15R0.81 CCCCCCCCSCCCC(=O)OC 62a_100011218270_100000210317 [1,1,0,0,0,0|1,0,0]=3 6935 B15R0.81 CCCCCCCCSCCCN(C)CC 62a_100000210759_100015186262 [1,1,0,0,0,0|2,0,0]=4 6936 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_100000210759_200011997002 [1,1,0,0,0,0|1,0,0]=3 6937 B15R0.81 CCCCCCCCSCCOC(=O)NC 62a_200011997002_100000210317 [1,1,0,0,0,0|1,0,0]=3 6938 B15R0.81 CCCCCCCNCCCCC(=O)OC 2230a_100000229938_100000204269 [1,1,0,0,0,0|1,0,0]=3 6939 B15R0.81 CCCCCCCNCCOCC(=O)OC 2230a_100000229938_100000090808 [1,1,0,0,0,0|2,0,0]=4 6940 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000059025_100000210614 [1,1,0,0,0,0|1,0,0]=3 6941 B15R0.81 CCCCCCCOCCCCC(=O)OC 34a_100000210272_100000204269 [1,1,0,0,0,0|1,0,0]=3 6942 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000059025_100000210614 [1,1,0,0,0,0|1,0,0]=3 6943 B15R0.81 CCCCCCCOCCCCC(=O)OC 7a_100000210272_100000204269 [1,1,0,0,0,0|1,0,0]=3 6944 B15R0.81 CCCCCCCOCCOCC(=O)OC 34a_100000210272_100000090808 [1,1,0,0,0,0|2,0,0]=4 6945 B15R0.81 CCCCCCCOCCOCC(=O)OC 7a_100000210272_100000090808 [1,1,0,0,0,0|2,0,0]=4 6946 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000204269_100000210316 [1,1,0,0,0,0|1,0,0]=3 6947 B15R0.81 CCCCCCCSCCCCC(=O)OC 62a_100000210614_100000204269 [1,1,0,0,0,0|1,0,0]=3 6948 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000090808_100000210316 [1,1,0,0,0,0|2,0,0]=4 6949 B15R0.81 CCCCCCCSCCOCC(=O)OC 62a_100000210614_100000090808 [1,1,0,0,0,0|2,0,0]=4 6950 B15R0.81 CCCCCCNCCCCCC(=O)OC 2230a_100000210581_100009816466 [1,1,0,0,0,0|1,0,0]=3 6951 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000074720_100000210314 [1,1,0,0,0,0|1,0,0]=3 6952 B15R0.81 CCCCCCOCCCCCC(=O)OC 34a_100000210259_100009816466 [1,1,0,0,0,0|1,0,0]=3 6953 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000074720_100000210314 [1,1,0,0,0,0|1,0,0]=3 6954 B15R0.81 CCCCCCOCCCCCC(=O)OC 7a_100000210259_100009816466 [1,1,0,0,0,0|1,0,0]=3 6955 B15R0.81 CCCCCCOCCCCCC(C)CC 7a_200000035636_100000210314 [1,1,0,0,0,0|1,0,1]=4 6956 B15R0.81 CCCCCCOCCOCCC(=O)NC 34a_100000691444_100012179268 [1,1,0,0,0,0|1,0,0]=3 6957 B15R0.81 CCCCCCOCCOCCC(=O)NC 7a_100000691444_100000737683 [1,1,0,0,0,0|1,0,0]=3 6958 B15R0.81 CCCCCCOCCOCCC(=O)OC 34a_100000691444_100000742370 [1,1,0,0,0,0|2,0,0]=4 6959 B15R0.81 CCCCCCOCCOCCC(=O)OC 7a_100000691444_100000204255 [1,1,0,0,0,0|2,0,0]=4 6960 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100000210314_100009816466 [1,1,0,0,0,0|1,0,0]=3 6961 B15R0.81 CCCCCCSCCCCCC(=O)OC 62a_100009816466_100000210757 [1,1,0,0,0,0|1,0,0]=3 6962 B15R0.81 CCCCCNCCCCCCC(=O)OC 2230a_100000209983_100009815986 [1,1,0,0,0,0|1,0,0]=3 6963 B15R0.81 CCCCCNCCOCCCC(=O)NC 34a_100000224656_100000741757 [1,1,0,0,0,0|1,0,0]=3 6964 B15R0.81 CCCCCNCCOCCCC(=O)OC 34a_100000224656_100000742333 [1,1,0,0,0,0|2,0,0]=4 6965 B15R0.81 CCCCCNCCOCCOC(=O)NC 34a_100000224656_200011997002 [1,1,0,0,0,0|2,0,0]=4 6966 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100000210253_100009815986 [1,1,0,0,0,0|1,0,0]=3 6967 B15R0.81 CCCCCOCCCCCCC(=O)OC 34a_100009863599_100000718602 [1,1,0,0,0,0|1,0,0]=3 6968 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100000210253_100009815986 [1,1,0,0,0,0|1,0,0]=3 6969 B15R0.81 CCCCCOCCCCCCC(=O)OC 7a_100009863599_100000210326 [1,1,0,0,0,0|1,0,0]=3 6970 B15R0.81 CCCCCOCCOCCCC(=O)NC 34a_100011215259_100000741757 [1,1,0,0,0,0|1,0,0]=3 6971 B15R0.81 CCCCCOCCOCCCC(=O)NC 7a_100011215259_100000741757 [1,1,0,0,0,0|1,0,0]=3 6972 B15R0.81 CCCCCOCCOCCCC(=O)OC 34a_100011215259_100000742333 [1,1,0,0,0,0|2,0,0]=4 6973 B15R0.81 CCCCCOCCOCCCC(=O)OC 7a_100011215259_100011218270 [1,1,0,0,0,0|2,0,0]=4 6974 B15R0.81 CCCCCOCCOCCOC(=O)NC 34a_100011215259_200011997002 [1,1,0,0,0,0|2,0,0]=4 6975 B15R0.81 CCCCCOCCOCCOC(=O)NC 7a_100011215259_200011997002 [1,1,0,0,0,0|2,0,0]=4 6976 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100000210326_100009815986 [1,1,0,0,0,0|1,0,0]=3 6977 B15R0.81 CCCCCSCCCCCCC(=O)OC 62a_100009815986_100000210326 [1,1,0,0,0,0|1,0,0]=3 6978 B15R0.81 CCCCNCCCCCCCC(=O)OC 2230a_100000102301_100010004213 [1,1,0,0,0,0|1,0,0]=3 6979 B15R0.81 CCCCNCCCCCCCC(=O)OC 7a_106832991798_100010004213 [1,1,0,0,0,0|1,0,0]=3 6980 B15R0.81 CCCCNCCCCOCCC(=O)NC 34a_200011216965_100012179268 [1,1,0,0,0,0|1,0,0]=3 6981 B15R0.81 CCCCNCCCCOCCC(=O)OC 34a_200011216965_100000742370 [1,1,0,0,0,0|2,0,0]=4 6982 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100000210227_100010004213 [1,1,0,0,0,0|1,0,0]=3 6983 B15R0.81 CCCCOCCCCCCCC(=O)OC 34a_100011022521_100000210210 [1,1,0,0,0,0|1,0,0]=3 6984 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100000210227_100010004213 [1,1,0,0,0,0|1,0,0]=3 6985 B15R0.81 CCCCOCCCCCCCC(=O)OC 7a_100011022521_100000210211 [1,1,0,0,0,0|1,0,0]=3 6986 B15R0.81 CCCCOCCCCOCCC(=O)NC 34a_200000760531_100012179268 [1,1,0,0,0,0|1,0,0]=3 6987 B15R0.81 CCCCOCCCCOCCC(=O)NC 7a_200000760531_100000737683 [1,1,0,0,0,0|1,0,0]=3 6988 B15R0.81 CCCCOCCCCOCCC(=O)OC 34a_200000760531_100000742370 [1,1,0,0,0,0|2,0,0]=4 6989 B15R0.81 CCCCOCCCCOCCC(=O)OC 7a_200000760531_100000204255 [1,1,0,0,0,0|2,0,0]=4 6990 B15R0.81 CCCCOCCCNCCCC(=O)NC 2230a_200000211371_100000741757 [1,1,0,0,0,0|1,0,0]=3 6991 B15R0.81 CCCCOCCCNCCCC(=O)NC 34a_200000211371_100000741757 [1,1,0,0,0,0|1,0,0]=3 6992 B15R0.81 CCCCOCCCNCCCC(=O)OC 2230a_200000211371_100011218270 [1,1,0,0,0,0|2,0,0]=4 6993 B15R0.81 CCCCOCCCNCCCC(=O)OC 34a_200000211371_100000742333 [1,1,0,0,0,0|2,0,0]=4 6994 B15R0.81 CCCCOCCCNCCOC(=O)NC 34a_200000211371_200011997002 [1,1,0,0,0,0|2,0,0]=4 6995 B15R0.81 CCCCOCCCOCCCC(=O)NC 34a_200011215613_100000741757 [1,1,0,0,0,0|1,0,0]=3 6996 B15R0.81 CCCCOCCCOCCCC(=O)NC 7a_200011215613_100000741757 [1,1,0,0,0,0|1,0,0]=3 6997 B15R0.81 CCCCOCCCOCCCC(=O)OC 34a_200011215613_100000742333 [1,1,0,0,0,0|2,0,0]=4 6998 B15R0.81 CCCCOCCCOCCCC(=O)OC 7a_200011215613_100011218270 [1,1,0,0,0,0|2,0,0]=4 6999 B15R0.81 CCCCOCCCOCCOC(=O)NC 34a_200011215613_200011997002 [1,1,0,0,0,0|2,0,0]=4 7000 B15R0.81 CCCCOCCCOCCOC(=O)NC 7a_200011215613_200011997002 [1,1,0,0,0,0|2,0,0]=4 7001 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000059025_100000743108 [1,1,0,0,0,0|2,0,0]=4 7002 B15R0.81 CCCCOCCOCCCCC(=O)OC 34a_100000210238_100000204269 [1,1,0,0,0,0|2,0,0]=4 7003 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000059025_100000743108 [1,1,0,0,0,0|2,0,0]=4 7004 B15R0.81 CCCCOCCOCCCCC(=O)OC 7a_100000210238_100000204269 [1,1,0,0,0,0|2,0,0]=4 7005 B15R0.81 CCCCOCCOCCOCC(=O)CC 7a_100011215186_100000747405 [1,1,0,0,0,0|2,0,0]=4 7006 B15R0.81 CCCCOCCOCCOCC(=O)NC 34a_100011215186_100000183359 [1,1,0,0,0,0|2,0,0]=4 7007 B15R0.81 CCCCOCCOCCOCC(=O)NC 7a_100011215186_100000183359 [1,1,0,0,0,0|2,0,0]=4 7008 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000204269_100000743108 [1,1,0,0,0,0|2,0,0]=4 7009 B15R0.81 CCCCOCCSCCCCC(=O)OC 62a_100000743108_100000204269 [1,1,0,0,0,0|2,0,0]=4 7010 B15R0.81 CCCCOCOCCCCCC(=O)OC 34a_100000074720_100011995733 [1,1,0,0,0,0|2,0,0]=4 7011 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100009816466_100011995733 [1,1,0,0,0,0|2,0,0]=4 7012 B15R0.81 CCCCOCSCCCCCC(=O)OC 62a_100011995733_100009816466 [1,1,0,0,0,0|2,0,0]=4 7013 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100000210211_100010004213 [1,1,0,0,0,0|1,0,0]=3 7014 B15R0.81 CCCCSCCCCCCCC(=O)OC 62a_100010004213_100000210210 [1,1,0,0,0,0|1,0,0]=3 7015 B15R0.81 CCCCSCCNCCCCC(=O)OC 2230a_100025743550_100000204269 [1,1,0,0,0,0|2,0,0]=4 7016 B15R0.81 CCCCSCCOCCCCC(=O)OC 34a_200000230436_100000204269 [1,1,0,0,0,0|2,0,0]=4 7017 B15R0.81 CCCCSCCOCCCCC(=O)OC 7a_200000230436_100000204269 [1,1,0,0,0,0|2,0,0]=4 7018 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000035544_100000210303 [1,1,0,0,0,0|1,0,0]=3 7019 B15R0.81 CCCOCCCCCCCCC(=O)OC 34a_100000210258_100010282707 [1,1,0,0,0,0|1,0,0]=3 7020 B15R0.81 CCCOCCCCCCCCC(=O)OC 7a_100000035544_100000210303 [1,1,0,0,0,0|1,0,0]=3 7021 B15R0.81 CCCOCCCNCCCCC(=O)OC 2230a_100011217757_100000204269 [1,1,0,0,0,0|2,0,0]=4 7022 B15R0.81 CCCOCCCNCCCCC(=O)OC 34a_100011217757_100000204269 [1,1,0,0,0,0|2,0,0]=4 7023 B15R0.81 CCCOCCNCCCCCC(=O)OC 2230a_100161115042_100009816466 [1,1,0,0,0,0|2,0,0]=4 7024 B15R0.81 CCCOCCNCCCCCC(=O)OC 34a_100161115042_100009816466 [1,1,0,0,0,0|2,0,0]=4 7025 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000074720_100011215938 [1,1,0,0,0,0|2,0,0]=4 7026 B15R0.81 CCCOCCOCCCCCC(=O)OC 34a_100000752267_100009816466 [1,1,0,0,0,0|2,0,0]=4 7027 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000074720_100011215938 [1,1,0,0,0,0|2,0,0]=4 7028 B15R0.81 CCCOCCOCCCCCC(=O)OC 7a_100000752267_100009816466 [1,1,0,0,0,0|2,0,0]=4 7029 B15R0.81 CCCOCCOCCNCCC(=O)NC 2230a_200011904461_100000737683 [1,1,0,0,0,0|2,0,0]=4 7030 B15R0.81 CCCOCCOCCNCCC(=O)NC 34a_200011904461_100012179268 [1,1,0,0,0,0|2,0,0]=4 7031 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100009816466_100011215938 [1,1,0,0,0,0|2,0,0]=4 7032 B15R0.81 CCCOCCSCCCCCC(=O)OC 62a_100011215938_100009816466 [1,1,0,0,0,0|2,0,0]=4 7033 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100000210303_100010282707 [1,1,0,0,0,0|1,0,0]=3 7034 B15R0.81 CCCSCCCCCCCCC(=O)OC 62a_100010282707_100000210303 [1,1,0,0,0,0|1,0,0]=3 7035 B15R0.81 CCCSCCNCCCCCC(=O)OC 2230a_100020603323_100009816466 [1,1,0,0,0,0|2,0,0]=4 7036 B15R0.81 CCCSCCOCCCCCC(=O)OC 34a_200000230433_100009816466 [1,1,0,0,0,0|2,0,0]=4 7037 B15R0.81 CCCSCCOCCCCCC(=O)OC 7a_200000230433_100009816466 [1,1,0,0,0,0|2,0,0]=4 7038 B15R0.81 CCN(C)CCCCCCCCCCCO 2230a_100000225621_100009812471 [1,1,0,0,0,0|2,0,0]=4 7039 B15R0.81 CCN(C)CCCCCCCCCCCO 269982a_100000225621_100009812471 [1,1,0,0,0,0|2,0,0]=4 7040 B15R0.81 CCNCCCCCCCCCC(=O)OC 2230a_100015525214_100009813843 [1,1,0,0,0,0|1,0,0]=3 7041 B15R0.81 CCOCCCCCCCCCC(=O)OC 34a_100121572206_100009813843 [1,1,0,0,0,0|1,0,0]=3 7042 B15R0.81 CCOCCCNCCCCCC(=O)OC 2230a_100000210961_100009816466 [1,1,0,0,0,0|2,0,0]=4 7043 B15R0.81 CCOCCCNCCCCCC(=O)OC 34a_100000210961_100009816466 [1,1,0,0,0,0|2,0,0]=4 7044 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000074720_100012232248 [1,1,0,0,0,0|2,0,0]=4 7045 B15R0.81 CCOCCCOCCCCCC(=O)OC 34a_100000757476_100009816466 [1,1,0,0,0,0|2,0,0]=4 7046 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000074720_100012232248 [1,1,0,0,0,0|2,0,0]=4 7047 B15R0.81 CCOCCCOCCCCCC(=O)OC 7a_100000757476_100009816466 [1,1,0,0,0,0|2,0,0]=4 7048 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100009816466_100012232248 [1,1,0,0,0,0|2,0,0]=4 7049 B15R0.81 CCOCCCSCCCCCC(=O)OC 62a_100012232248_100009816466 [1,1,0,0,0,0|2,0,0]=4 7050 B15R0.81 CCOCCNCCCCCCC(=O)OC 2230a_102516460346_100009815986 [1,1,0,0,0,0|2,0,0]=4 7051 B15R0.81 CCOCCNCCCCCCC(=O)OC 34a_102516460346_100009815986 [1,1,0,0,0,0|2,0,0]=4 7052 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100000210136_100009815986 [1,1,0,0,0,0|2,0,0]=4 7053 B15R0.81 CCOCCOCCCCCCC(=O)OC 34a_100009863599_100000210147 [1,1,0,0,0,0|2,0,0]=4 7054 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100000210136_100009815986 [1,1,0,0,0,0|2,0,0]=4 7055 B15R0.81 CCOCCOCCCCCCC(=O)OC 7a_100009863599_100011215890 [1,1,0,0,0,0|2,0,0]=4 7056 B15R0.81 CCOCCOCCNCCCC(=O)NC 2230a_100000740002_100011211534 [1,1,0,0,0,0|2,0,0]=4 7057 B15R0.81 CCOCCOCCNCCCC(=O)NC 2230a_100102712874_100000741757 [1,1,0,0,0,0|2,0,0]=4 7058 B15R0.81 CCOCCOCCNCCCC(=O)NC 34a_100000740002_100011211534 [1,1,0,0,0,0|2,0,0]=4 7059 B15R0.81 CCOCCOCCNCCCC(=O)NC 34a_100102712874_100000741757 [1,1,0,0,0,0|2,0,0]=4 7060 B15R0.81 CCOCCOCCOCCCC(=O)NC 34a_100000210240_100000741757 [1,1,0,0,0,0|2,0,0]=4 7061 B15R0.81 CCOCCOCCOCCCC(=O)NC 7a_100000210240_100000741757 [1,1,0,0,0,0|2,0,0]=4 7062 B15R0.81 CCOCCOCCSCCCC(=O)NC 62a_100000741757_100011211534 [1,1,0,0,0,0|2,0,0]=4 7063 B15R0.81 CCOCCOCCSCCCC(=O)NC 62a_100011211534_100000741757 [1,1,0,0,0,0|2,0,0]=4 7064 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100000210147_100009815986 [1,1,0,0,0,0|2,0,0]=4 7065 B15R0.81 CCOCCSCCCCCCC(=O)OC 62a_100009815986_100011215890 [1,1,0,0,0,0|2,0,0]=4 7066 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100000739092_100010004213 [1,1,0,0,0,0|2,0,0]=4 7067 B15R0.81 CCOCSCCCCCCCC(=O)OC 62a_100010004213_100000739092 [1,1,0,0,0,0|2,0,0]=4 7068 B15R0.81 CCSCCCCCCCCCC(=O)OC 62a_100000210202_100009813843 [1,1,0,0,0,0|1,0,0]=3 7069 B15R0.81 CCSCCCOCCCCCC(=O)OC 34a_100011216438_100009816466 [1,1,0,0,0,0|2,0,0]=4 7070 B15R0.81 CCSCCCOCCCCCC(=O)OC 7a_100011216438_100009816466 [1,1,0,0,0,0|2,0,0]=4 7071 B15R0.81 CCSCCNCCCCCCC(=O)OC 2230a_100000106463_100009815986 [1,1,0,0,0,0|2,0,0]=4 7072 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100000212035_100009815986 [1,1,0,0,0,0|2,0,0]=4 7073 B15R0.81 CCSCCOCCCCCCC(=O)OC 34a_100009863599_100000757381 [1,1,0,0,0,0|2,0,0]=4 7074 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100000212035_100009815986 [1,1,0,0,0,0|2,0,0]=4 7075 B15R0.81 CCSCCOCCCCCCC(=O)OC 7a_100009863599_100000757381 [1,1,0,0,0,0|2,0,0]=4 7076 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100000757381_100009815986 [1,1,0,0,0,0|2,0,0]=4 7077 B15R0.81 CCSCCSCCCCCCC(=O)OC 62a_100009815986_100000757381 [1,1,0,0,0,0|2,0,0]=4 7078 B15R0.81 CNC(=O)CCCCCCCCCCCO 240690a_100102657272_100000037981 [1,1,0,0,0,0|0,0,0]=2 7079 B15R0.81 CNC(=O)CCCNCCCCCCC#N 2230a_100000740002_100009813337 [1,1,0,0,0,0|1,0,1]=4 7080 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100000740002_100000760002 [1,1,0,0,0,0|1,0,0]=3 7081 B15R0.81 CNC(=O)CCCNCCCCCCCO 2230a_100011996573_100000741757 [1,1,0,0,0,0|1,0,0]=3 7082 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100000740002_100000760002 [1,1,0,0,0,0|1,0,0]=3 7083 B15R0.81 CNC(=O)CCCNCCCCCCCO 34a_100011996573_100000741757 [1,1,0,0,0,0|1,0,0]=3 7084 B15R0.81 CNC(=O)CCCNCCCCCCOC 2230a_100000740002_100011998445 [1,1,0,0,0,0|1,0,0]=3 7085 B15R0.81 CNC(=O)CCCNCCCCCCOC 34a_100000740002_100011998445 [1,1,0,0,0,0|1,0,0]=3 7086 B15R0.81 CNC(=O)CCCNCCCOCCCO 2230a_100011310245_100000741757 [1,1,0,0,0,0|2,0,0]=4 7087 B15R0.81 CNC(=O)CCCNCCCOCCCO 34a_100011310245_100000741757 [1,1,0,0,0,0|2,0,0]=4 7088 B15R0.81 CNC(=O)CCCNCCCOCCOC 2230a_100000206027_100000741757 [1,1,0,0,0,0|2,0,0]=4 7089 B15R0.81 CNC(=O)CCCNCCCOCCOC 2230a_100000740002_100011216529 [1,1,0,0,0,0|2,0,0]=4 7090 B15R0.81 CNC(=O)CCCNCCCOCCOC 34a_100000206027_100000741757 [1,1,0,0,0,0|2,0,0]=4 7091 B15R0.81 CNC(=O)CCCNCCCOCCOC 34a_100000740002_100011216529 [1,1,0,0,0,0|2,0,0]=4 7092 B15R0.81 CNC(=O)CCCOCCCCCCCBr 34a_100000760002_100000741757 [1,1,0,0,0,0|1,0,0]=3 7093 B15R0.81 CNC(=O)CCCOCCCCCCCBr 7a_100000760002_100000741757 [1,1,0,0,0,0|1,0,0]=3 7094 B15R0.81 CNC(=O)CCCOCCCCCCCN 34a_100011996573_100000741757 [1,1,0,0,0,0|1,0,0]=3 7095 B15R0.81 CNC(=O)CCCOCCCCCCOC 34a_200012092642_100000741757 [1,1,0,0,0,0|1,0,0]=3 7096 B15R0.81 CNC(=O)CCCOCCCCCCOC 7a_200012092642_100000741757 [1,1,0,0,0,0|1,0,0]=3 7097 B15R0.81 CNC(=O)CCCOCCCOCCCN 34a_100011310245_100000741757 [1,1,0,0,0,0|2,0,0]=4 7098 B15R0.81 CNC(=O)CCCSCCCCCCC#N 62a_100000741757_100009813337 [1,1,0,0,0,0|1,0,1]=4 7099 B15R0.81 CNC(=O)CCCSCCCCCCC#N 62a_100009813337_100000741757 [1,1,0,0,0,0|1,0,1]=4 7100 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000741757_100000760002 [1,1,0,0,0,0|1,0,0]=3 7101 B15R0.81 CNC(=O)CCCSCCCCCCCO 62a_100000760002_100000741757 [1,1,0,0,0,0|1,0,0]=3 7102 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100000741757_100011998445 [1,1,0,0,0,0|1,0,0]=3 7103 B15R0.81 CNC(=O)CCCSCCCCCCOC 62a_100011998445_100000741757 [1,1,0,0,0,0|1,0,0]=3 7104 B15R0.81 CNC(=O)CCCSCCCOCCOC 62a_100000741757_100011216529 [1,1,0,0,0,0|2,0,0]=4 7105 B15R0.81 CNC(=O)CCCSCCCOCCOC 62a_100011216529_100000741757 [1,1,0,0,0,0|2,0,0]=4 7106 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_100000738227_100000033203 [1,1,0,0,0,0|1,0,0]=3 7107 B15R0.81 CNC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737683 [1,1,0,0,0,0|1,0,0]=3 7108 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_100000738227_100000033203 [1,1,0,0,0,0|1,0,0]=3 7109 B15R0.81 CNC(=O)CCNCCCCCCCCO 34a_102515433106_100012179268 [1,1,0,0,0,0|1,0,0]=3 7110 B15R0.81 CNC(=O)CCOCCCCCCCCBr 34a_100009813846_100012179268 [1,1,0,0,0,0|1,0,0]=3 7111 B15R0.81 CNC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737683 [1,1,0,0,0,0|1,0,0]=3 7112 B15R0.81 CNC(=O)CCOCCCCCCCCCl 34a_100000033203_100012179268 [1,1,0,0,0,0|1,0,0]=3 7113 B15R0.81 CNC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737683 [1,1,0,0,0,0|1,0,0]=3 7114 B15R0.81 CNC(=O)CCOCCCCCCCCN 34a_102515433106_100012179268 [1,1,0,0,0,0|1,0,0]=3 7115 B15R0.81 CNC(=O)CCOCCCCCCCCO 34a_100000754576_100000033203 [1,1,0,0,0,0|1,0,0]=3 7116 B15R0.81 CNC(=O)CCOCCCCCNCCN 34a_103619048469_100012179268 [1,1,0,0,0,0|2,0,0]=4 7117 B15R0.81 CNC(=O)CCOCCCOCCCOC 34a_200011215475_100012179268 [1,1,0,0,0,0|2,0,0]=4 7118 B15R0.81 CNC(=O)CCOCCCOCCCOC 7a_200011215475_100000737683 [1,1,0,0,0,0|2,0,0]=4 7119 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000033203_100000737683 [1,1,0,0,0,0|1,0,0]=3 7120 B15R0.81 CNC(=O)CCSCCCCCCCCO 62a_100000737683_100000033203 [1,1,0,0,0,0|1,0,0]=3 7121 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183359 [1,1,0,0,0,0|1,0,0]=3 7122 B15R0.81 CNC(=O)CNCCCCCCCCCO 2230a_100000693194_100009813782 [1,1,0,0,0,0|1,0,0]=3 7123 B15R0.81 CNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183359 [1,1,0,0,0,0|1,0,0]=3 7124 B15R0.81 CNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183359 [1,1,0,0,0,0|1,0,0]=3 7125 B15R0.81 CNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183359 [1,1,0,0,0,0|1,0,0]=3 7126 B15R0.81 CNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183359 [1,1,0,0,0,0|1,0,0]=3 7127 B15R0.81 CNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183359 [1,1,0,0,0,0|1,0,0]=3 7128 B15R0.81 CNC(=O)COCCCCCCCCCN 34a_100000078944_100000183359 [1,1,0,0,0,0|1,0,0]=3 7129 B15R0.81 CNC(=O)COCCCCCCCCCO 34a_100000750040_100009813782 [1,1,0,0,0,0|1,0,0]=3 7130 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100000183359_100009813782 [1,1,0,0,0,0|1,0,0]=3 7131 B15R0.81 CNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183359 [1,1,0,0,0,0|1,0,0]=3 7132 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100000066964_106832991635 [1,1,0,0,0,0|1,0,0]=3 7133 B15R0.81 CNC(=O)NCCCCCCCCCCO 2708a_100102657272_100000066964 [1,1,0,0,0,0|1,0,0]=3 7134 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100102657272 [1,1,0,0,0,0|1,0,0]=3 7135 B15R0.81 CNC(=O)NCCCCCCCCCCO 273464a_100102657272_100000066964 [1,1,0,0,0,0|1,0,0]=3 7136 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_100000066964_100102657272 [1,1,0,0,0,0|1,0,0]=3 7137 B15R0.81 CNC(=O)NCCCCCCCCCCO 512a_106832991638_100000066964 [1,1,0,0,0,0|1,0,0]=3 7138 B15R0.81 CNC(=O)NCCNCCCCCCCO 34a_100015205895_100000760002 [1,1,0,0,0,0|2,0,0]=4 7139 B15R0.81 CNC(=O)NCCNCCCCCCOC 34a_100015205895_100011998445 [1,1,0,0,0,0|2,0,0]=4 7140 B15R0.81 CNC(=O)OCCNCCCCCCCO 34a_100011996573_200011997002 [1,1,0,0,0,0|2,0,0]=4 7141 B15R0.81 CNC(=O)OCCOCCCCCCCBr 34a_100000760002_200011997002 [1,1,0,0,0,0|2,0,0]=4 7142 B15R0.81 CNC(=O)OCCOCCCCCCCBr 7a_100000760002_200011997002 [1,1,0,0,0,0|2,0,0]=4 7143 B15R0.81 CNC(=O)OCCOCCCCCCCN 34a_100011996573_200011997002 [1,1,0,0,0,0|2,0,0]=4 7144 B15R0.81 CNC(=O)OCCOCCCCCCOC 34a_200012092642_200011997002 [1,1,0,0,0,0|2,0,0]=4 7145 B15R0.81 CNC(=O)OCCOCCCCCCOC 7a_200012092642_200011997002 [1,1,0,0,0,0|2,0,0]=4 7146 B15R0.81 CNC(=O)OCCSCCCCCCCO 62a_100000760002_200011997002 [1,1,0,0,0,0|2,0,0]=4 7147 B15R0.81 CNC(=O)OCCSCCCCCCCO 62a_200011997002_100000760002 [1,1,0,0,0,0|2,0,0]=4 7148 B15R0.81 CNC(=O)OCCSCCCCCCOC 62a_100011998445_200011997002 [1,1,0,0,0,0|2,0,0]=4 7149 B15R0.81 CNC(=O)OCCSCCCCCCOC 62a_200011997002_100011998445 [1,1,0,0,0,0|2,0,0]=4 7150 B15R0.81 CNCCCCCCCCCCC(=O)OC 2230a_106832991635_100009812566 [1,1,0,0,0,0|1,0,0]=3 7151 B15R0.81 CNCCCCCCCCCCC(=O)OC 34a_100102657272_100009812566 [1,1,0,0,0,0|1,0,0]=3 7152 B15R0.81 CNCCCCCCCCCCC(=O)OC 7a_106832991635_100009812566 [1,1,0,0,0,0|1,0,0]=3 7153 B15R0.81 CNCCCCCOCCCCC(=O)OC 34a_100000722520_100000204269 [1,1,0,0,0,0|2,0,0]=4 7154 B15R0.81 CNCCCOCCCCCCC(=O)OC 34a_100000213112_100009815986 [1,1,0,0,0,0|2,0,0]=4 7155 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 34a_100011003013_200025704644 [1,1,0,0,0,0|1,0,0]=3 7156 B15R0.81 COC(=O)CCCCCCCCCCO[13CH3] 7a_100011003013_200025704644 [1,1,0,0,0,0|1,0,0]=3 7157 B15R0.81 COC(=O)CCCCCCCCCCSC 62a_200000210301_100009812566 [1,1,0,0,0,0|1,0,0]=3 7158 B15R0.81 COC(=O)CCCCCCCCCCS[13CH3] 62a_200025704644_100009812566 [1,1,0,0,0,0|1,0,0]=3 7159 B15R0.81 COC(=O)CCCCCCCCCSCF 62a_100015361967_100009813843 [1,1,0,0,0,0|2,0,0]=4 7160 B15R0.81 COC(=O)CCCCCCCCNCCF 34a_100000724931_100010282707 [1,1,0,0,0,0|2,0,0]=4 7161 B15R0.81 COC(=O)CCCCCCCCNCCO 2230a_100016997473_100010282707 [1,1,0,0,0,0|2,0,0]=4 7162 B15R0.81 COC(=O)CCCCCCCCNCCO 34a_100016990907_100010282707 [1,1,0,0,0,0|2,0,0]=4 7163 B15R0.81 COC(=O)CCCCCCCCOCCBr 34a_100000211926_100010282707 [1,1,0,0,0,0|2,0,0]=4 7164 B15R0.81 COC(=O)CCCCCCCCOCCF 34a_100000035544_100011217306 [1,1,0,0,0,0|2,0,0]=4 7165 B15R0.81 COC(=O)CCCCCCCCOCCF 7a_100000035544_100011217306 [1,1,0,0,0,0|2,0,0]=4 7166 B15R0.81 COC(=O)CCCCCCCCOCCN 34a_100000210304_100010282707 [1,1,0,0,0,0|2,0,0]=4 7167 B15R0.81 COC(=O)CCCCCCCCOCCO 34a_100000035544_100000211926 [1,1,0,0,0,0|2,0,0]=4 7168 B15R0.81 COC(=O)CCCCCCCCOCCO 7a_100000035544_100000211926 [1,1,0,0,0,0|2,0,0]=4 7169 B15R0.81 COC(=O)CCCCCCCCOCSC 34a_100000035544_100011218213 [1,1,0,0,0,0|2,0,0]=4 7170 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100010282707_100011217306 [1,1,0,0,0,0|2,0,0]=4 7171 B15R0.81 COC(=O)CCCCCCCCSCCF 62a_100011217306_100010282707 [1,1,0,0,0,0|2,0,0]=4 7172 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100000211926_100010282707 [1,1,0,0,0,0|2,0,0]=4 7173 B15R0.81 COC(=O)CCCCCCCCSCCO 62a_100010282707_100000211926 [1,1,0,0,0,0|2,0,0]=4 7174 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100010282707_100011218213 [1,1,0,0,0,0|2,0,0]=4 7175 B15R0.81 COC(=O)CCCCCCCCSCSC 62a_100011218213_100010282707 [1,1,0,0,0,0|2,0,0]=4 7176 B15R0.81 COC(=O)CCCCCCCNCCCF 2230a_100015189416_100010004213 [1,1,0,0,0,0|2,0,0]=4 7177 B15R0.81 COC(=O)CCCCCCCNCCCF 34a_100015189416_100010004213 [1,1,0,0,0,0|2,0,0]=4 7178 B15R0.81 COC(=O)CCCCCCCNCCSC 2230a_100020590264_100010004213 [1,1,0,0,0,0|2,0,0]=4 7179 B15R0.81 COC(=O)CCCCCCCOCCCBr 34a_100011217188_100010004213 [1,1,0,0,0,0|2,0,0]=4 7180 B15R0.81 COC(=O)CCCCCCCOCCCCl 34a_100000230001_100010004213 [1,1,0,0,0,0|2,0,0]=4 7181 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100000759539_100010004213 [1,1,0,0,0,0|2,0,0]=4 7182 B15R0.81 COC(=O)CCCCCCCOCCCF 34a_100011022521_100011934791 [1,1,0,0,0,0|2,0,0]=4 7183 B15R0.81 COC(=O)CCCCCCCOCCCF 7a_100011022521_100011934791 [1,1,0,0,0,0|2,0,0]=4 7184 B15R0.81 COC(=O)CCCCCCCOCCCN 34a_100000182051_100010004213 [1,1,0,0,0,0|2,0,0]=4 7185 B15R0.81 COC(=O)CCCCCCCOCCCO 34a_100011022521_100000230001 [1,1,0,0,0,0|2,0,0]=4 7186 B15R0.81 COC(=O)CCCCCCCOCCCO 7a_100011022521_100011215043 [1,1,0,0,0,0|2,0,0]=4 7187 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100000230434_100010004213 [1,1,0,0,0,0|2,0,0]=4 7188 B15R0.81 COC(=O)CCCCCCCOCCSC 34a_100011022521_100000212216 [1,1,0,0,0,0|2,0,0]=4 7189 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100000230434_100010004213 [1,1,0,0,0,0|2,0,0]=4 7190 B15R0.81 COC(=O)CCCCCCCOCCSC 7a_100011022521_100000212216 [1,1,0,0,0,0|2,0,0]=4 7191 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100010004213_100011934791 [1,1,0,0,0,0|2,0,0]=4 7192 B15R0.81 COC(=O)CCCCCCCSCCCF 62a_100011934791_100010004213 [1,1,0,0,0,0|2,0,0]=4 7193 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100010004213_100011215043 [1,1,0,0,0,0|2,0,0]=4 7194 B15R0.81 COC(=O)CCCCCCCSCCCO 62a_100011215043_100010004213 [1,1,0,0,0,0|2,0,0]=4 7195 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100000212216_100010004213 [1,1,0,0,0,0|2,0,0]=4 7196 B15R0.81 COC(=O)CCCCCCCSCCSC 62a_100010004213_100000751147 [1,1,0,0,0,0|2,0,0]=4 7197 B15R0.81 COC(=O)CCCCCCNCCCCO 2230a_100000750430_100009815986 [1,1,0,0,0,0|2,0,0]=4 7198 B15R0.81 COC(=O)CCCCCCNCCCCO 34a_100000750430_100009815986 [1,1,0,0,0,0|2,0,0]=4 7199 B15R0.81 COC(=O)CCCCCCNCCCSC 2230a_100000749238_100009815986 [1,1,0,0,0,0|2,0,0]=4 7200 B15R0.81 COC(=O)CCCCCCOCCCCBr 34a_100011216708_100009815986 [1,1,0,0,0,0|2,0,0]=4 7201 B15R0.81 COC(=O)CCCCCCOCCCCCl 34a_100000210776_100009815986 [1,1,0,0,0,0|2,0,0]=4 7202 B15R0.81 COC(=O)CCCCCCOCCCCCl 7a_100000210776_100009815986 [1,1,0,0,0,0|2,0,0]=4 7203 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100009863599_100000729493 [1,1,0,0,0,0|2,0,0]=4 7204 B15R0.81 COC(=O)CCCCCCOCCCCF 34a_100011995726_100009815986 [1,1,0,0,0,0|2,0,0]=4 7205 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100009863599_100000729493 [1,1,0,0,0,0|2,0,0]=4 7206 B15R0.81 COC(=O)CCCCCCOCCCCF 7a_100011995726_100009815986 [1,1,0,0,0,0|2,0,0]=4 7207 B15R0.81 COC(=O)CCCCCCOCCCCI 34a_200012148704_100009815986 [1,1,0,0,0,0|2,0,0]=4 7208 B15R0.81 COC(=O)CCCCCCOCCCCN 34a_100000750430_100009815986 [1,1,0,0,0,0|2,0,0]=4 7209 B15R0.81 COC(=O)CCCCCCOCCCCO 34a_100009863599_100011216708 [1,1,0,0,0,0|2,0,0]=4 7210 B15R0.81 COC(=O)CCCCCCOCCCCO 7a_100009863599_100000210776 [1,1,0,0,0,0|2,0,0]=4 7211 B15R0.81 COC(=O)CCCCCCOCCCSC 34a_100000690336_100009815986 [1,1,0,0,0,0|2,0,0]=4 7212 B15R0.81 COC(=O)CCCCCCOCCCSC 7a_100000690336_100009815986 [1,1,0,0,0,0|2,0,0]=4 7213 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100000729493_100009815986 [1,1,0,0,0,0|2,0,0]=4 7214 B15R0.81 COC(=O)CCCCCCSCCCCF 62a_100009815986_100000729493 [1,1,0,0,0,0|2,0,0]=4 7215 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100000210776_100009815986 [1,1,0,0,0,0|2,0,0]=4 7216 B15R0.81 COC(=O)CCCCCCSCCCCO 62a_100009815986_100000210776 [1,1,0,0,0,0|2,0,0]=4 7217 B15R0.81 COC(=O)CCCCCNCCCCCO 2230a_100000762737_100009816466 [1,1,0,0,0,0|2,0,0]=4 7218 B15R0.81 COC(=O)CCCCCNCCCCCO 34a_100000762737_100009816466 [1,1,0,0,0,0|2,0,0]=4 7219 B15R0.81 COC(=O)CCCCCOCCCCCBr 34a_100000746331_100009816466 [1,1,0,0,0,0|2,0,0]=4 7220 B15R0.81 COC(=O)CCCCCOCCCCCBr 7a_100000746331_100009816466 [1,1,0,0,0,0|2,0,0]=4 7221 B15R0.81 COC(=O)CCCCCOCCCCCCl 34a_100000746330_100009816466 [1,1,0,0,0,0|2,0,0]=4 7222 B15R0.81 COC(=O)CCCCCOCCCCCCl 7a_100000746330_100009816466 [1,1,0,0,0,0|2,0,0]=4 7223 B15R0.81 COC(=O)CCCCCOCCCCCF 34a_100000074720_100000729378 [1,1,0,0,0,0|2,0,0]=4 7224 B15R0.81 COC(=O)CCCCCOCCCCCF 7a_100000074720_100000729378 [1,1,0,0,0,0|2,0,0]=4 7225 B15R0.81 COC(=O)CCCCCOCCCCCI 34a_200012148887_100009816466 [1,1,0,0,0,0|2,0,0]=4 7226 B15R0.81 COC(=O)CCCCCOCCCCCI 7a_200012148887_100009816466 [1,1,0,0,0,0|2,0,0]=4 7227 B15R0.81 COC(=O)CCCCCOCCCCCN 34a_100000762737_100009816466 [1,1,0,0,0,0|2,0,0]=4 7228 B15R0.81 COC(=O)CCCCCOCCCCCO 34a_100000074720_100000746330 [1,1,0,0,0,0|2,0,0]=4 7229 B15R0.81 COC(=O)CCCCCOCCCCCO 7a_100000074720_100000746330 [1,1,0,0,0,0|2,0,0]=4 7230 B15R0.81 COC(=O)CCCCCOCCCCSC 34a_100011217163_100009816466 [1,1,0,0,0,0|2,0,0]=4 7231 B15R0.81 COC(=O)CCCCCOCCCCSC 7a_100011217163_100009816466 [1,1,0,0,0,0|2,0,0]=4 7232 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100000729378_100009816466 [1,1,0,0,0,0|2,0,0]=4 7233 B15R0.81 COC(=O)CCCCCSCCCCCF 62a_100009816466_100000729378 [1,1,0,0,0,0|2,0,0]=4 7234 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100000746330_100009816466 [1,1,0,0,0,0|2,0,0]=4 7235 B15R0.81 COC(=O)CCCCCSCCCCCO 62a_100009816466_100000746330 [1,1,0,0,0,0|2,0,0]=4 7236 B15R0.81 COC(=O)CCCCNCCCCCCO 2230a_100000686447_100000204269 [1,1,0,0,0,0|2,0,0]=4 7237 B15R0.81 COC(=O)CCCCNCCCCCCO 34a_100000686447_100000204269 [1,1,0,0,0,0|2,0,0]=4 7238 B15R0.81 COC(=O)CCCCOCCCCCCBr 34a_100011215345_100000204269 [1,1,0,0,0,0|2,0,0]=4 7239 B15R0.81 COC(=O)CCCCOCCCCCCBr 7a_100011215345_100000204269 [1,1,0,0,0,0|2,0,0]=4 7240 B15R0.81 COC(=O)CCCCOCCCCCCCl 34a_100000766143_100000204269 [1,1,0,0,0,0|2,0,0]=4 7241 B15R0.81 COC(=O)CCCCOCCCCCCCl 7a_100000766143_100000204269 [1,1,0,0,0,0|2,0,0]=4 7242 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000059025_100015922095 [1,1,0,0,0,0|2,0,0]=4 7243 B15R0.81 COC(=O)CCCCOCCCCCCF 34a_100000732779_100000204269 [1,1,0,0,0,0|2,0,0]=4 7244 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000059025_100015922095 [1,1,0,0,0,0|2,0,0]=4 7245 B15R0.81 COC(=O)CCCCOCCCCCCF 7a_100000732779_100000204269 [1,1,0,0,0,0|2,0,0]=4 7246 B15R0.81 COC(=O)CCCCOCCCCCCN 34a_100000686447_100000204269 [1,1,0,0,0,0|2,0,0]=4 7247 B15R0.81 COC(=O)CCCCOCCCCCCO 34a_100000059025_100000766143 [1,1,0,0,0,0|2,0,0]=4 7248 B15R0.81 COC(=O)CCCCOCCCCCCO 7a_100000059025_100000766143 [1,1,0,0,0,0|2,0,0]=4 7249 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100000204269_100015922095 [1,1,0,0,0,0|2,0,0]=4 7250 B15R0.81 COC(=O)CCCCSCCCCCCF 62a_100015922095_100000204269 [1,1,0,0,0,0|2,0,0]=4 7251 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000204269_100000766143 [1,1,0,0,0,0|2,0,0]=4 7252 B15R0.81 COC(=O)CCCCSCCCCCCO 62a_100000766143_100000204269 [1,1,0,0,0,0|2,0,0]=4 7253 B15R0.81 COC(=O)CCCNCCCCCCCO 2230a_100011996573_100011218270 [1,1,0,0,0,0|2,0,0]=4 7254 B15R0.81 COC(=O)CCCNCCCCCCCO 34a_100011996573_100000742333 [1,1,0,0,0,0|2,0,0]=4 7255 B15R0.81 COC(=O)CCCOCCCCCCCBr 34a_100000760002_100000742333 [1,1,0,0,0,0|2,0,0]=4 7256 B15R0.81 COC(=O)CCCOCCCCCCCBr 7a_100000760002_100011218270 [1,1,0,0,0,0|2,0,0]=4 7257 B15R0.81 COC(=O)CCCOCCCCCCCN 34a_100011996573_100000742333 [1,1,0,0,0,0|2,0,0]=4 7258 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100000760002_100011218270 [1,1,0,0,0,0|2,0,0]=4 7259 B15R0.81 COC(=O)CCCSCCCCCCCO 62a_100011218270_100000760002 [1,1,0,0,0,0|2,0,0]=4 7260 B15R0.81 COC(=O)CCNCCCCCCCCO 2230a_102515433106_100000204255 [1,1,0,0,0,0|2,0,0]=4 7261 B15R0.81 COC(=O)CCNCCCCCCCCO 34a_102515433106_100000742370 [1,1,0,0,0,0|2,0,0]=4 7262 B15R0.81 COC(=O)CCOCCCCCCCCBr 34a_100009813846_100000742370 [1,1,0,0,0,0|2,0,0]=4 7263 B15R0.81 COC(=O)CCOCCCCCCCCBr 7a_100009813846_100000204255 [1,1,0,0,0,0|2,0,0]=4 7264 B15R0.81 COC(=O)CCOCCCCCCCCCl 34a_100000033203_100000742370 [1,1,0,0,0,0|2,0,0]=4 7265 B15R0.81 COC(=O)CCOCCCCCCCCCl 7a_100000033203_100000204255 [1,1,0,0,0,0|2,0,0]=4 7266 B15R0.81 COC(=O)CCOCCCCCCCCN 34a_102515433106_100000742370 [1,1,0,0,0,0|2,0,0]=4 7267 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000033203_100000204255 [1,1,0,0,0,0|2,0,0]=4 7268 B15R0.81 COC(=O)CCSCCCCCCCCO 62a_100000204255_100000033203 [1,1,0,0,0,0|2,0,0]=4 7269 B15R0.81 COC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747449 [1,1,0,0,0,0|2,0,0]=4 7270 B15R0.81 COC(=O)CNCCCCCCCCCO 34a_100000078944_100000747449 [1,1,0,0,0,0|2,0,0]=4 7271 B15R0.81 COC(=O)COCCCCCCCCCBr 34a_100009813782_100000747449 [1,1,0,0,0,0|2,0,0]=4 7272 B15R0.81 COC(=O)COCCCCCCCCCBr 7a_100009813782_100000747449 [1,1,0,0,0,0|2,0,0]=4 7273 B15R0.81 COC(=O)COCCCCCCCCCCl 34a_100009868337_100000747449 [1,1,0,0,0,0|2,0,0]=4 7274 B15R0.81 COC(=O)COCCCCCCCCCCl 7a_100009868337_100000747449 [1,1,0,0,0,0|2,0,0]=4 7275 B15R0.81 COC(=O)COCCCCCCCCCN 34a_100000078944_100000747449 [1,1,0,0,0,0|2,0,0]=4 7276 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100000747449_100009813782 [1,1,0,0,0,0|2,0,0]=4 7277 B15R0.81 COC(=O)CSCCCCCCCCCO 62a_100009813782_100000747449 [1,1,0,0,0,0|2,0,0]=4 7278 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100011003013_200000210301 [1,1,0,0,0,0|1,0,0]=3 7279 B15R0.81 COCCCCCCCCCCC(=O)OC 34a_100138415774_100009812566 [1,1,0,0,0,0|1,0,0]=3 7280 B15R0.81 COCCCCCCCCCCC(=O)OC 7a_100011003013_200000210301 [1,1,0,0,0,0|1,0,0]=3 7281 B15R0.81 COCCCCCCOCCCC(=O)NN 34a_100000211488_100011998445 [1,1,0,0,0,0|2,0,0]=4 7282 B15R0.81 COCCCCCCOCCCC(=O)OC 34a_200012092642_100000742333 [1,1,0,0,0,0|2,0,0]=4 7283 B15R0.81 COCCCCCCOCCCC(=O)OC 7a_200012092642_100011218270 [1,1,0,0,0,0|2,0,0]=4 7284 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011218270_100011998445 [1,1,0,0,0,0|2,0,0]=4 7285 B15R0.81 COCCCCCCSCCCC(=O)OC 62a_100011998445_100011218270 [1,1,0,0,0,0|2,0,0]=4 7286 B15R0.81 COCCCCCNCCCCC(=O)OC 2230a_100000747528_100000204269 [1,1,0,0,0,0|2,0,0]=4 7287 B15R0.81 COCCCCCNCCCCC(=O)OC 34a_100000747528_100000204269 [1,1,0,0,0,0|2,0,0]=4 7288 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000074720_100000755781 [1,1,0,0,0,0|2,0,0]=4 7289 B15R0.81 COCCCCOCCCCCC(=O)OC 34a_100000740925_100009816466 [1,1,0,0,0,0|2,0,0]=4 7290 B15R0.81 COCCCCOCCCCCC(=O)OC 7a_100000074720_100000730899 [1,1,0,0,0,0|2,0,0]=4 7291 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100000730899_100009816466 [1,1,0,0,0,0|2,0,0]=4 7292 B15R0.81 COCCCCSCCCCCC(=O)OC 62a_100009816466_100000730899 [1,1,0,0,0,0|2,0,0]=4 7293 B15R0.81 COCCCNCCCCCCC(=O)OC 34a_100150723488_100009815986 [1,1,0,0,0,0|2,0,0]=4 7294 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100000740835_100009815986 [1,1,0,0,0,0|2,0,0]=4 7295 B15R0.81 COCCCOCCCCCCC(=O)OC 34a_100009863599_100000740836 [1,1,0,0,0,0|2,0,0]=4 7296 B15R0.81 COCCCOCCCCCCC(=O)OC 7a_100009863599_100000740836 [1,1,0,0,0,0|2,0,0]=4 7297 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100000709357_100009815986 [1,1,0,0,0,0|2,0,0]=4 7298 B15R0.81 COCCCSCCCCCCC(=O)OC 62a_100009815986_100000709357 [1,1,0,0,0,0|2,0,0]=4 7299 B15R0.81 COCCNCCCCCCCC(=O)OC 2230a_100000209980_100010004213 [1,1,0,0,0,0|2,0,0]=4 7300 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100000210237_100010004213 [1,1,0,0,0,0|2,0,0]=4 7301 B15R0.81 COCCOCCCCCCCC(=O)OC 34a_100011022521_100011201679 [1,1,0,0,0,0|2,0,0]=4 7302 B15R0.81 COCCOCCCCCCCC(=O)OC 7a_100011022521_100000233755 [1,1,0,0,0,0|2,0,0]=4 7303 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100000233755_100010004213 [1,1,0,0,0,0|2,0,0]=4 7304 B15R0.81 COCCSCCCCCCCC(=O)OC 62a_100010004213_100000233755 [1,1,0,0,0,0|2,0,0]=4 7305 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100000766300_100010282707 [1,1,0,0,0,0|2,0,0]=4 7306 B15R0.81 COCSCCCCCCCCC(=O)OC 62a_100010282707_100000766300 [1,1,0,0,0,0|2,0,0]=4 7307 B15R0.81 NNC(=O)CCCOCCCCCCCO 34a_100000211488_100000760002 [1,1,0,0,0,0|2,0,0]=4 7308 B15R0.81 O=C(CO)CCCCCCCCCCCO 1458a_100000210174_100009812471 [1,1,0,0,0,0|1,0,0]=3 7309 B15R0.81 O=C(CO)NCCCCCCCCCCO 240690a_100000066964_100000210174 [1,1,0,0,0,0|2,0,0]=4 7310 B15R0.84 C=C(C)C(=O)CCCCCCCCCCC 1458a_100000185857_100011215454 [1,1,0,0,0,0|0,0,1]=3 7311 B15R0.84 C=C(C)C(=O)CCCCCCCCCCO 1458a_100000185857_100009813290 [1,1,0,0,0,0|1,0,1]=4 7312 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 11a_100000684558_100000185857 [1,1,0,0,0,0|1,0,1]=4 7313 B15R0.84 C=C(C)C(=O)NCCCCCCCCCC 1626a_100000684558_100000185857 [1,1,0,0,0,0|1,0,1]=4 7314 B15R0.84 C=CCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100009814027 [1,1,0,0,0,0|0,0,2]=4 7315 B15R0.84 C=CCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100009814027 [1,1,0,0,0,0|0,0,2]=4 7316 B15R0.84 C=CCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814027 [1,1,0,0,0,0|0,0,2]=4 7317 B15R0.84 C=CCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814027 [1,1,0,0,0,0|0,0,2]=4 7318 B15R0.84 CC(C)C(=O)CCCCCCCCCCO 1458a_100000210198_100009813290 [1,1,0,0,0,0|1,0,0]=3 7319 B15R0.84 CC(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000753385 [1,1,0,0,0,0|2,0,0]=4 7320 B15R0.84 CC(C)C(=O)CNCCCCCCCCO 34a_102515433106_100000753385 [1,1,0,0,0,0|2,0,0]=4 7321 B15R0.84 CC(C)C(=O)COCCCCCCCCBr 34a_100009813846_100000753385 [1,1,0,0,0,0|2,0,0]=4 7322 B15R0.84 CC(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000753385 [1,1,0,0,0,0|2,0,0]=4 7323 B15R0.84 CC(C)C(=O)COCCCCCCCCCl 34a_100000033203_100000753385 [1,1,0,0,0,0|2,0,0]=4 7324 B15R0.84 CC(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000753385 [1,1,0,0,0,0|2,0,0]=4 7325 B15R0.84 CC(C)C(=O)COCCCCCCCCN 34a_102515433106_100000753385 [1,1,0,0,0,0|2,0,0]=4 7326 B15R0.84 CC(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000753385 [1,1,0,0,0,0|2,0,0]=4 7327 B15R0.84 CC(C)C(=O)CSCCCCCCCCO 62a_100000753385_100000033203 [1,1,0,0,0,0|2,0,0]=4 7328 B15R0.84 CC(C)C(=O)NCCCCCCCCCO 240690a_100000078944_100000210198 [1,1,0,0,0,0|2,0,0]=4 7329 B15R0.84 CC(F)C(=O)CCCCCCCCCCO 1458a_100000062450_100009813290 [1,1,0,0,0,0|1,0,0]=3 7330 B15R0.84 CC(F)C(=O)NCCCCCCCCCO 240690a_100000078944_100000062450 [1,1,0,0,0,0|2,0,0]=4 7331 B15R0.84 CCCCCCCCCC=CC(=O)C(C)C 1458a_200015352897_100000210206 [1,1,0,0,0,0|0,0,2]=4 7332 B15R0.84 CCCCCCCCCC=CC(=O)N(C)C 11a_100102631434_200015352897 [1,1,0,0,0,0|0,0,2]=4 7333 B15R0.84 CCCCCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015352897 [1,1,0,0,0,0|0,0,2]=4 7334 B15R0.84 CCCCCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015352897 [1,1,0,0,0,0|0,0,2]=4 7335 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011215454 [1,1,0,0,0,0|0,0,0]=2 7336 B15R0.84 CCCCCCCCCCCC(=O)C(C)C 1458a_100000210736_100000210206 [1,1,0,0,0,0|0,0,0]=2 7337 B15R0.84 CCCCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011215454 [1,1,0,0,0,0|0,0,0]=2 7338 B15R0.84 CCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100011215454 [1,1,0,0,0,0|1,0,0]=3 7339 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210736 [1,1,0,0,0,0|0,0,0]=2 7340 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210736 [1,1,0,0,0,0|0,0,0]=2 7341 B15R0.84 CCCCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210736 [1,1,0,0,0,0|0,0,0]=2 7342 B15R0.84 CCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215454 [1,1,0,0,0,0|0,0,0]=2 7343 B15R0.84 CCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215454 [1,1,0,0,0,0|0,0,0]=2 7344 B15R0.84 CCCCCCCCCCCC(C)N(C)C 270004a_100102631434_100011216755 [1,1,0,0,0,0|1,0,1]=4 7345 B15R0.84 CCCCCCCCCCCN(C)C(C)C 269982a_200000211004_100011215454 [1,1,0,0,0,0|2,0,0]=4 7346 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 11a_100000684558_100000210198 [1,1,0,0,0,0|1,0,0]=3 7347 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 1626a_100000684558_100000210198 [1,1,0,0,0,0|1,0,0]=3 7348 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 240690a_100000684558_100000210198 [1,1,0,0,0,0|1,0,0]=3 7349 B15R0.84 CCCCCCCCCCNC(=O)C(C)C 527a_100000684558_100000210198 [1,1,0,0,0,0|1,0,0]=3 7350 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 11a_100000684558_100000062450 [1,1,0,0,0,0|1,0,0]=3 7351 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 1626a_100000684558_100000062450 [1,1,0,0,0,0|1,0,0]=3 7352 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 240690a_100000684558_100000062450 [1,1,0,0,0,0|1,0,0]=3 7353 B15R0.84 CCCCCCCCCCNC(=O)C(C)F 527a_100000684558_100000062450 [1,1,0,0,0,0|1,0,0]=3 7354 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 11a_100000684558_100000210393 [1,1,0,0,0,0|2,0,0]=4 7355 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 1626a_100000684558_100000210393 [1,1,0,0,0,0|2,0,0]=4 7356 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 240690a_100000684558_100000210393 [1,1,0,0,0,0|2,0,0]=4 7357 B15R0.84 CCCCCCCCCCNC(=O)C(F)F 527a_100000684558_100000210393 [1,1,0,0,0,0|2,0,0]=4 7358 B15R0.84 CCCCCCCCCCNC(=O)C(O)O 240690a_100000684558_100000233687 [1,1,0,0,0,0|2,0,0]=4 7359 B15R0.84 CCCCCCCCCCNC(=O)N(C)C 2708a_100000684558_100102631434 [1,1,0,0,0,0|1,0,0]=3 7360 B15R0.84 CCCCCCCCCCNC(=O)[C@@H](C)O 240690a_100000684558_100000717761 [1,1,0,0,0,0|1,0,0]=3 7361 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 1626a_100000684558_217856618621 [1,1,0,0,0,0|1,0,0]=3 7362 B15R0.84 CCCCCCCCCCNC(=O)[C@H](C)O 240690a_100000684558_217856618621 [1,1,0,0,0,0|1,0,0]=3 7363 B15R0.84 CCCCCCCCCNCC(=O)C(=O)C 34a_100000212291_100011261029 [1,1,0,0,0,0|1,0,1]=4 7364 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 2230a_100000212291_100000753385 [1,1,0,0,0,0|1,0,0]=3 7365 B15R0.84 CCCCCCCCCNCC(=O)C(C)C 34a_100000212291_100000753385 [1,1,0,0,0,0|1,0,0]=3 7366 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100000212291_100000185267 [1,1,0,0,0,0|1,0,0]=3 7367 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 2230a_100015183351_100011214924 [1,1,0,0,0,0|1,0,0]=3 7368 B15R0.84 CCCCCCCCCNCC(=O)N(C)C 34a_100000212291_100000692301 [1,1,0,0,0,0|1,0,0]=3 7369 B15R0.84 CCCCCCCCCOCC(=O)C(=O)C 34a_100000210712_100011261029 [1,1,0,0,0,0|1,0,1]=4 7370 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 34a_100000210712_100000753385 [1,1,0,0,0,0|1,0,0]=3 7371 B15R0.84 CCCCCCCCCOCC(=O)C(C)C 7a_100000210712_100000753385 [1,1,0,0,0,0|1,0,0]=3 7372 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 34a_100000210712_100000692301 [1,1,0,0,0,0|1,0,0]=3 7373 B15R0.84 CCCCCCCCCOCC(=O)N(C)C 7a_100000210712_100000692301 [1,1,0,0,0,0|1,0,0]=3 7374 B15R0.84 CCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210670 [1,1,0,0,0,0|1,0,1]=4 7375 B15R0.84 CCCCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210670 [1,1,0,0,0,0|1,0,0]=3 7376 B15R0.84 CCCCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210670 [1,1,0,0,0,0|1,0,0]=3 7377 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000229939_100000737620 [1,1,0,0,0,0|1,0,0]=3 7378 B15R0.84 CCCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210759 [1,1,0,0,0,0|1,0,0]=3 7379 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210759 [1,1,0,0,0,0|1,0,0]=3 7380 B15R0.84 CCCCCCCCOCCC(=O)N(C)C 7a_100000210232_100000737620 [1,1,0,0,0,0|1,0,0]=3 7381 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000210759_100000737620 [1,1,0,0,0,0|1,0,0]=3 7382 B15R0.84 CCCCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210317 [1,1,0,0,0,0|1,0,0]=3 7383 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210317 [1,1,0,0,0,0|2,0,0]=4 7384 B15R0.84 CCCCCCCCSCOC(=O)C(C)C 62a_100000210759_100000139345 [1,1,0,0,0,0|2,0,0]=4 7385 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_100000229938_100000737642 [1,1,0,0,0,0|1,0,0]=3 7386 B15R0.84 CCCCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210681 [1,1,0,0,0,0|1,0,0]=3 7387 B15R0.84 CCCCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210681 [1,1,0,0,0,0|2,0,0]=4 7388 B15R0.84 CCCCCCCNCCNC(=O)C(C)C 34a_100000752568_100000210614 [1,1,0,0,0,0|2,0,0]=4 7389 B15R0.84 CCCCCCCOCCCC(=O)N(C)C 7a_100000210272_100000737642 [1,1,0,0,0,0|1,0,0]=3 7390 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000210614_100000737642 [1,1,0,0,0,0|1,0,0]=3 7391 B15R0.84 CCCCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210316 [1,1,0,0,0,0|1,0,0]=3 7392 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 34a_100000210259_100000752486 [1,1,0,0,0,0|1,0,0]=3 7393 B15R0.84 CCCCCCOCCCCC(=O)N(C)C 7a_100000210259_100000752486 [1,1,0,0,0,0|1,0,0]=3 7394 B15R0.84 CCCCCCOCCOCC(=O)C(C)C 34a_100000691444_100000753385 [1,1,0,0,0,0|2,0,0]=4 7395 B15R0.84 CCCCCCOCCOCC(=O)C(C)C 7a_100000691444_100000753385 [1,1,0,0,0,0|2,0,0]=4 7396 B15R0.84 CCCCCCOCCOCC(=O)N(C)C 34a_100000691444_100000692301 [1,1,0,0,0,0|2,0,0]=4 7397 B15R0.84 CCCCCCOCCOCC(=O)N(C)C 7a_100000691444_100000692301 [1,1,0,0,0,0|2,0,0]=4 7398 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000210314_100000752486 [1,1,0,0,0,0|1,0,0]=3 7399 B15R0.84 CCCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210757 [1,1,0,0,0,0|1,0,0]=3 7400 B15R0.84 CCCCCOCCOCCC(=O)N(C)C 7a_100011215259_100000737620 [1,1,0,0,0,0|2,0,0]=4 7401 B15R0.84 CCCCNCCCCOCC(=O)C(C)C 34a_200011216965_100000753385 [1,1,0,0,0,0|2,0,0]=4 7402 B15R0.84 CCCCNCCCCOCC(=O)N(C)C 34a_200011216965_100000692301 [1,1,0,0,0,0|2,0,0]=4 7403 B15R0.84 CCCCOCCCCOCC(=O)C(C)C 34a_200000760531_100000753385 [1,1,0,0,0,0|2,0,0]=4 7404 B15R0.84 CCCCOCCCCOCC(=O)C(C)C 7a_200000760531_100000753385 [1,1,0,0,0,0|2,0,0]=4 7405 B15R0.84 CCCCOCCCCOCC(=O)N(C)C 34a_200000760531_100000692301 [1,1,0,0,0,0|2,0,0]=4 7406 B15R0.84 CCCCOCCCCOCC(=O)N(C)C 7a_200000760531_100000692301 [1,1,0,0,0,0|2,0,0]=4 7407 B15R0.84 CCCCOCCCNCCC(=O)N(C)C 2230a_200000211371_100000737620 [1,1,0,0,0,0|2,0,0]=4 7408 B15R0.84 CCCCOCCCOCCC(=O)N(C)C 7a_200011215613_100000737620 [1,1,0,0,0,0|2,0,0]=4 7409 B15R0.84 CCCCOCCNCCCC(=O)N(C)C 2230a_200000744827_100000743108 [1,1,0,0,0,0|2,0,0]=4 7410 B15R0.84 CCCCOCCOCCCC(=O)N(C)C 7a_100000210238_100000737642 [1,1,0,0,0,0|2,0,0]=4 7411 B15R0.84 CCCCOCCSCCCC(=O)N(C)C 62a_100000737642_100000743108 [1,1,0,0,0,0|2,0,0]=4 7412 B15R0.84 CCCCOCCSCCCC(=O)N(C)C 62a_100000743108_100000737642 [1,1,0,0,0,0|2,0,0]=4 7413 B15R0.84 CCCCOCSCCCCC(=O)N(C)C 62a_100000752486_100011995733 [1,1,0,0,0,0|2,0,0]=4 7414 B15R0.84 CCCCOCSCCCCC(=O)N(C)C 62a_100011995733_100000752486 [1,1,0,0,0,0|2,0,0]=4 7415 B15R0.84 CCCCSCCNCCCC(=O)N(C)C 2230a_100025743550_100000737642 [1,1,0,0,0,0|2,0,0]=4 7416 B15R0.84 CCCCSCCOCCCC(=O)N(C)C 7a_200000230436_100000737642 [1,1,0,0,0,0|2,0,0]=4 7417 B15R0.84 CCCOCCCNCCCC(=O)N(C)C 2230a_100011217757_100000737642 [1,1,0,0,0,0|2,0,0]=4 7418 B15R0.84 CCCOCCNCCCCC(=O)N(C)C 34a_100161115042_100000752486 [1,1,0,0,0,0|2,0,0]=4 7419 B15R0.84 CCCOCCOCCCCC(=O)N(C)C 34a_100000752267_100000752486 [1,1,0,0,0,0|2,0,0]=4 7420 B15R0.84 CCCOCCOCCCCC(=O)N(C)C 7a_100000752267_100000752486 [1,1,0,0,0,0|2,0,0]=4 7421 B15R0.84 CCCOCCSCCCCC(=O)N(C)C 62a_100000752486_100011215938 [1,1,0,0,0,0|2,0,0]=4 7422 B15R0.84 CCCOCCSCCCCC(=O)N(C)C 62a_100011215938_100000752486 [1,1,0,0,0,0|2,0,0]=4 7423 B15R0.84 CCCSCCOCCCCC(=O)N(C)C 34a_200000230433_100000752486 [1,1,0,0,0,0|2,0,0]=4 7424 B15R0.84 CCCSCCOCCCCC(=O)N(C)C 7a_200000230433_100000752486 [1,1,0,0,0,0|2,0,0]=4 7425 B15R0.84 CCOCCCNCCCCC(=O)N(C)C 34a_100000210961_100000752486 [1,1,0,0,0,0|2,0,0]=4 7426 B15R0.84 CCOCCCOCCCCC(=O)N(C)C 34a_100000757476_100000752486 [1,1,0,0,0,0|2,0,0]=4 7427 B15R0.84 CCOCCCOCCCCC(=O)N(C)C 7a_100000757476_100000752486 [1,1,0,0,0,0|2,0,0]=4 7428 B15R0.84 CCOCCCSCCCCC(=O)N(C)C 62a_100000752486_100012232248 [1,1,0,0,0,0|2,0,0]=4 7429 B15R0.84 CCOCCCSCCCCC(=O)N(C)C 62a_100012232248_100000752486 [1,1,0,0,0,0|2,0,0]=4 7430 B15R0.84 CCSCCCOCCCCC(=O)N(C)C 34a_100011216438_100000752486 [1,1,0,0,0,0|2,0,0]=4 7431 B15R0.84 CCSCCCOCCCCC(=O)N(C)C 7a_100011216438_100000752486 [1,1,0,0,0,0|2,0,0]=4 7432 B15R0.84 CN(C)C(=O)CCCCCCCCCCO 240690a_100102631434_200000016029 [1,1,0,0,0,0|1,0,0]=3 7433 B15R0.84 CN(C)C(=O)CCCCNCCCCCO 34a_100000762737_100000752486 [1,1,0,0,0,0|2,0,0]=4 7434 B15R0.84 CN(C)C(=O)CCCCOCCCCCBr 34a_100000746331_100000752486 [1,1,0,0,0,0|2,0,0]=4 7435 B15R0.84 CN(C)C(=O)CCCCOCCCCCBr 7a_100000746331_100000752486 [1,1,0,0,0,0|2,0,0]=4 7436 B15R0.84 CN(C)C(=O)CCCCOCCCCCCl 34a_100000746330_100000752486 [1,1,0,0,0,0|2,0,0]=4 7437 B15R0.84 CN(C)C(=O)CCCCOCCCCCCl 7a_100000746330_100000752486 [1,1,0,0,0,0|2,0,0]=4 7438 B15R0.84 CN(C)C(=O)CCCCOCCCCCI 34a_200012148887_100000752486 [1,1,0,0,0,0|2,0,0]=4 7439 B15R0.84 CN(C)C(=O)CCCCOCCCCCI 7a_200012148887_100000752486 [1,1,0,0,0,0|2,0,0]=4 7440 B15R0.84 CN(C)C(=O)CCCCOCCCCCN 34a_100000762737_100000752486 [1,1,0,0,0,0|2,0,0]=4 7441 B15R0.84 CN(C)C(=O)CCCCSCCCCCF 62a_100000729378_100000752486 [1,1,0,0,0,0|2,0,0]=4 7442 B15R0.84 CN(C)C(=O)CCCCSCCCCCF 62a_100000752486_100000729378 [1,1,0,0,0,0|2,0,0]=4 7443 B15R0.84 CN(C)C(=O)CCCCSCCCCCO 62a_100000746330_100000752486 [1,1,0,0,0,0|2,0,0]=4 7444 B15R0.84 CN(C)C(=O)CCCCSCCCCCO 62a_100000752486_100000746330 [1,1,0,0,0,0|2,0,0]=4 7445 B15R0.84 CN(C)C(=O)CCCNCCCCCCF 2230a_200000744827_100015922095 [1,1,0,0,0,0|2,0,0]=4 7446 B15R0.84 CN(C)C(=O)CCCNCCCCCCO 2230a_100000686447_100000737642 [1,1,0,0,0,0|2,0,0]=4 7447 B15R0.84 CN(C)C(=O)CCCNCCCCCCO 2230a_200000744827_100000766143 [1,1,0,0,0,0|2,0,0]=4 7448 B15R0.84 CN(C)C(=O)CCCOCCCCCCBr 7a_100011215345_100000737642 [1,1,0,0,0,0|2,0,0]=4 7449 B15R0.84 CN(C)C(=O)CCCOCCCCCCCl 7a_100000766143_100000737642 [1,1,0,0,0,0|2,0,0]=4 7450 B15R0.84 CN(C)C(=O)CCCOCCCCCCF 7a_100000732779_100000737642 [1,1,0,0,0,0|2,0,0]=4 7451 B15R0.84 CN(C)C(=O)CCCSCCCCCCF 62a_100000737642_100015922095 [1,1,0,0,0,0|2,0,0]=4 7452 B15R0.84 CN(C)C(=O)CCCSCCCCCCF 62a_100015922095_100000737642 [1,1,0,0,0,0|2,0,0]=4 7453 B15R0.84 CN(C)C(=O)CCCSCCCCCCO 62a_100000737642_100000766143 [1,1,0,0,0,0|2,0,0]=4 7454 B15R0.84 CN(C)C(=O)CCCSCCCCCCO 62a_100000766143_100000737642 [1,1,0,0,0,0|2,0,0]=4 7455 B15R0.84 CN(C)C(=O)CCNCCCCCCCO 2230a_100000738053_100000760002 [1,1,0,0,0,0|2,0,0]=4 7456 B15R0.84 CN(C)C(=O)CCNCCCCCCCO 2230a_100011996573_100000737620 [1,1,0,0,0,0|2,0,0]=4 7457 B15R0.84 CN(C)C(=O)CCOCCCCCCCBr 7a_100000760002_100000737620 [1,1,0,0,0,0|2,0,0]=4 7458 B15R0.84 CN(C)C(=O)CCOCCCCCCCO 34a_200000747469_100000760002 [1,1,0,0,0,0|2,0,0]=4 7459 B15R0.84 CN(C)C(=O)CCSCCCCCCCO 62a_100000737620_100000760002 [1,1,0,0,0,0|2,0,0]=4 7460 B15R0.84 CN(C)C(=O)CCSCCCCCCCO 62a_100000760002_100000737620 [1,1,0,0,0,0|2,0,0]=4 7461 B15R0.84 CN(C)C(=O)CNCCCCCCCCO 2230a_100015183351_100000033203 [1,1,0,0,0,0|2,0,0]=4 7462 B15R0.84 CN(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000185267 [1,1,0,0,0,0|2,0,0]=4 7463 B15R0.84 CN(C)C(=O)CNCCCCCCCCO 34a_102515433106_100000692301 [1,1,0,0,0,0|2,0,0]=4 7464 B15R0.84 CN(C)C(=O)COCCCCCCCCBr 34a_100009813846_100000692301 [1,1,0,0,0,0|2,0,0]=4 7465 B15R0.84 CN(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000692301 [1,1,0,0,0,0|2,0,0]=4 7466 B15R0.84 CN(C)C(=O)COCCCCCCCCCl 34a_100000033203_100000692301 [1,1,0,0,0,0|2,0,0]=4 7467 B15R0.84 CN(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000692301 [1,1,0,0,0,0|2,0,0]=4 7468 B15R0.84 CN(C)C(=O)COCCCCCCCCN 34a_102515433106_100000692301 [1,1,0,0,0,0|2,0,0]=4 7469 B15R0.84 CN(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000692301 [1,1,0,0,0,0|2,0,0]=4 7470 B15R0.84 CN(C)C(=O)CSCCCCCCCCO 62a_100000692301_100000033203 [1,1,0,0,0,0|2,0,0]=4 7471 B15R0.84 CN(C)C(=O)NCCCCCCCCCO 2708a_100000078944_100102631434 [1,1,0,0,0,0|2,0,0]=4 7472 B15R0.84 COCCCCCCNCCC(=O)N(C)C 2230a_100000738053_100011998445 [1,1,0,0,0,0|2,0,0]=4 7473 B15R0.84 COCCCCCCOCCC(=O)N(C)C 34a_200000747469_100011998445 [1,1,0,0,0,0|2,0,0]=4 7474 B15R0.84 COCCCCCCOCCC(=O)N(C)C 7a_200012092642_100000737620 [1,1,0,0,0,0|2,0,0]=4 7475 B15R0.84 COCCCCCCSCCC(=O)N(C)C 62a_100000737620_100011998445 [1,1,0,0,0,0|2,0,0]=4 7476 B15R0.84 COCCCCCCSCCC(=O)N(C)C 62a_100011998445_100000737620 [1,1,0,0,0,0|2,0,0]=4 7477 B15R0.84 COCCCCCNCCCC(=O)N(C)C 2230a_100000747528_100000737642 [1,1,0,0,0,0|2,0,0]=4 7478 B15R0.84 COCCCCOCCCCC(=O)N(C)C 34a_100000740925_100000752486 [1,1,0,0,0,0|2,0,0]=4 7479 B15R0.84 COCCCCSCCCCC(=O)N(C)C 62a_100000730899_100000752486 [1,1,0,0,0,0|2,0,0]=4 7480 B15R0.84 COCCCCSCCCCC(=O)N(C)C 62a_100000752486_100000730899 [1,1,0,0,0,0|2,0,0]=4 7481 B15R0.84 CSCCCCOCCCCC(=O)N(C)C 34a_100011217163_100000752486 [1,1,0,0,0,0|2,0,0]=4 7482 B15R0.84 CSCCCCOCCCCC(=O)N(C)C 7a_100011217163_100000752486 [1,1,0,0,0,0|2,0,0]=4 7483 B15R0.84 C[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000717761_100009813290 [1,1,0,0,0,0|1,0,0]=3 7484 B15R0.84 C[C@@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100000717761 [1,1,0,0,0,0|2,0,0]=4 7485 B15R0.84 C[C@H](O)C(=O)CCCCCCCCCCO 1458a_217856618621_100009813290 [1,1,0,0,0,0|1,0,0]=3 7486 B15R0.84 C[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_217856618621 [1,1,0,0,0,0|2,0,0]=4 7487 B15R0.84 O=C(CCCCCCCCCCO)C(O)O 1458a_100000233687_100009813290 [1,1,0,0,0,0|2,0,0]=4 7488 B15R0.137 CCCCCCCC(=O)CCCC(=O)NC 1458a_100000211969_100000741757 [1,1,0,0,0,0|0,0,1]=3 7489 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000211969_100011218270 [1,1,0,0,0,0|1,0,1]=4 7490 B15R0.137 CCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210614 [1,1,0,0,0,0|1,0,1]=4 7491 B15R0.137 CCCCCCCC(=O)CCOC(=O)NC 1458a_100000211969_200011997002 [1,1,0,0,0,0|1,0,1]=4 7492 B15R0.137 CCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000211969 [1,1,0,0,0,0|1,0,1]=4 7493 B15R0.137 CCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211969 [1,1,0,0,0,0|1,0,1]=4 7494 B15R0.137 CCCCCCCC(=O)NCCC(=O)NC 527a_100000738227_100000211969 [1,1,0,0,0,0|1,0,1]=4 7495 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218727 [1,1,0,0,0,0|1,0,0]=3 7496 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210596 [1,1,0,0,0,0|1,0,0]=3 7497 B15R0.137 CCCCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218727 [1,1,0,0,0,0|1,0,0]=3 7498 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218727 [1,1,0,0,0,0|1,0,0]=3 7499 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 34a_200011215852_100012179268 [1,1,0,0,0,0|1,0,0]=3 7500 B15R0.137 CCCCCCCC(C)OCCC(=O)NC 7a_200011215852_100000737683 [1,1,0,0,0,0|1,0,0]=3 7501 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 34a_200011215852_100000742370 [1,1,0,0,0,0|2,0,0]=4 7502 B15R0.137 CCCCCCCC(C)OCCC(=O)OC 7a_200011215852_100000204255 [1,1,0,0,0,0|2,0,0]=4 7503 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218727 [1,1,0,0,0,0|1,0,0]=3 7504 B15R0.137 CCCCCCCC(C)SCCC(=O)NC 62a_200011218727_100000737683 [1,1,0,0,0,0|1,0,0]=3 7505 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218727 [1,1,0,0,0,0|2,0,0]=4 7506 B15R0.137 CCCCCCCC(C)SCCC(=O)OC 62a_200011218727_100000204255 [1,1,0,0,0,0|2,0,0]=4 7507 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 2230a_100000228206_100000741757 [1,1,0,0,0,0|1,0,0]=3 7508 B15R0.137 CCCCCCCN(C)CCCC(=O)NC 269982a_100000228206_100000741757 [1,1,0,0,0,0|1,0,0]=3 7509 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 2230a_100000228206_100011218270 [1,1,0,0,0,0|2,0,0]=4 7510 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000228206_100011218270 [1,1,0,0,0,0|2,0,0]=4 7511 B15R0.137 CCCCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210681 [1,1,0,0,0,0|2,0,0]=4 7512 B15R0.137 CCCCCCCN(C)CCOC(=O)NC 269982a_100000228206_200011997002 [1,1,0,0,0,0|2,0,0]=4 7513 B15R0.137 CNC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100000741757 [1,1,0,0,0,0|1,0,1]=4 7514 B15R0.137 CNC(=O)CCCC(=O)CCCCCOC 1458a_100011935119_100000741757 [1,1,0,0,0,0|1,0,1]=4 7515 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000036616_100000210202 [1,1,0,0,0,0|1,0,1]=4 7516 B15R0.172 CCC(=O)CCCCCCCCC(=O)OC 1458a_100000210414_100010282707 [1,1,0,0,0,0|1,0,1]=4 7517 B15R0.172 CCC(C)CCCCCOCCC(=O)NC 7a_200000035636_100000737683 [1,1,0,0,0,0|1,0,0]=3 7518 B15R0.172 CCC(C)CCCCCOCCC(=O)OC 7a_200000035636_100000204255 [1,1,0,0,0,0|2,0,0]=4 7519 B15R0.172 CCC(C)CCCOCCCCC(=O)OC 7a_100011216074_100000204269 [1,1,0,0,0,0|2,0,0]=4 7520 B15R0.172 CCC(C)CCNCCCCCC(=O)OC 2230a_100020591266_100009816466 [1,1,0,0,0,0|2,0,0]=4 7521 B15R0.172 CCC(C)CCOCCCCCC(=O)OC 7a_100011215188_100009816466 [1,1,0,0,0,0|2,0,0]=4 7522 B15R0.172 CCC(C)CNCCCCCCC(=O)OC 2230a_100020588543_100009815986 [1,1,0,0,0,0|2,0,0]=4 7523 B15R0.172 CCC(C)COCCCCCCC(=O)OC 34a_100009863599_100000748023 [1,1,0,0,0,0|2,0,0]=4 7524 B15R0.172 CCC(C)COCCCCCCC(=O)OC 7a_100009863599_100000748023 [1,1,0,0,0,0|2,0,0]=4 7525 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100000748023_100009815986 [1,1,0,0,0,0|2,0,0]=4 7526 B15R0.172 CCC(C)CSCCCCCCC(=O)OC 62a_100009815986_100000748023 [1,1,0,0,0,0|2,0,0]=4 7527 B15R0.172 CCC(C)NCCCCCCCC(=O)OC 2230a_100000209981_100010004213 [1,1,0,0,0,0|2,0,0]=4 7528 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 34a_100011022521_100011215416 [1,1,0,0,0,0|2,0,0]=4 7529 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100000210228_100010004213 [1,1,0,0,0,0|2,0,0]=4 7530 B15R0.172 CCC(C)OCCCCCCCC(=O)OC 7a_100011022521_100000758301 [1,1,0,0,0,0|2,0,0]=4 7531 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100000758301_100010004213 [1,1,0,0,0,0|2,0,0]=4 7532 B15R0.172 CCC(C)SCCCCCCCC(=O)OC 62a_100010004213_100000758301 [1,1,0,0,0,0|2,0,0]=4 7533 B15R0.172 CCC(O)CNCCCCCCC(=O)OC 2230a_100011218483_100009815986 [1,1,0,0,0,0|2,0,0]=4 7534 B15R0.172 CCC(O)COCCCCCCC(=O)OC 34a_100009863599_100011218378 [1,1,0,0,0,0|2,0,0]=4 7535 B15R0.172 CCC(O)COCCCCCCC(=O)OC 7a_100009863599_100011218378 [1,1,0,0,0,0|2,0,0]=4 7536 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100009815986_100011218378 [1,1,0,0,0,0|2,0,0]=4 7537 B15R0.172 CCC(O)CSCCCCCCC(=O)OC 62a_100011218378_100009815986 [1,1,0,0,0,0|2,0,0]=4 7538 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 2230a_100000225621_100010282707 [1,1,0,0,0,0|2,0,0]=4 7539 B15R0.172 CCN(C)CCCCCCCCC(=O)OC 269982a_100000225621_100010282707 [1,1,0,0,0,0|2,0,0]=4 7540 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 34a_100009863599_100009816398 [1,1,0,0,0,0|2,0,0]=4 7541 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009816381_100009815986 [1,1,0,0,0,0|2,0,0]=4 7542 B15R0.172 CC[C@H](C)COCCCCCCC(=O)OC 7a_100009863599_100009816398 [1,1,0,0,0,0|2,0,0]=4 7543 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009815986_100009816398 [1,1,0,0,0,0|2,0,0]=4 7544 B15R0.172 CC[C@H](C)CSCCCCCCC(=O)OC 62a_100009816398_100009815986 [1,1,0,0,0,0|2,0,0]=4 7545 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 11a_106832991635_100000036616 [1,1,0,0,0,0|1,0,1]=4 7546 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 1626a_100102657272_100000036616 [1,1,0,0,0,0|1,0,1]=4 7547 B15R0.172 CNC(=O)CCCCCCCCC(=O)OC 240690a_100102657272_100000036616 [1,1,0,0,0,0|1,0,1]=4 7548 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210757 [1,1,0,0,0,0|1,0,1]=4 7549 B15R0.189 CCCCCCC(=O)CCCCC(=O)OC 1458a_100102632555_100000204269 [1,1,0,0,0,0|1,0,1]=4 7550 B15R0.189 CCCCCCC(=O)NCCCC(=O)NC 11a_100000740002_100102632555 [1,1,0,0,0,0|1,0,1]=4 7551 B15R0.189 CCCCCCC(=O)NCCCC(=O)NC 240690a_100000740002_100102632555 [1,1,0,0,0,0|1,0,1]=4 7552 B15R0.189 CCCCCCC(=O)NCCCC(=O)NC 527a_100000740002_100102632555 [1,1,0,0,0,0|1,0,1]=4 7553 B15R0.189 CCCCCCC(C)CCOCC(=O)CC 7a_200011024964_100000747405 [1,1,0,0,0,0|1,0,0]=3 7554 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 34a_200011024964_100000183359 [1,1,0,0,0,0|1,0,0]=3 7555 B15R0.189 CCCCCCC(C)CCOCC(=O)NC 7a_200011024964_100000183359 [1,1,0,0,0,0|1,0,0]=3 7556 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 34a_200011024964_100000747449 [1,1,0,0,0,0|2,0,0]=4 7557 B15R0.189 CCCCCCC(C)CCOCC(=O)OC 7a_200011024964_100000747449 [1,1,0,0,0,0|2,0,0]=4 7558 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000210919_100000741757 [1,1,0,0,0,0|1,0,0]=3 7559 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 2230a_100000740002_100011215978 [1,1,0,0,0,0|1,0,0]=3 7560 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210826 [1,1,0,0,0,0|1,0,0]=3 7561 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000210919_100000741757 [1,1,0,0,0,0|1,0,0]=3 7562 B15R0.189 CCCCCCC(C)NCCCC(=O)NC 34a_100000740002_100011215978 [1,1,0,0,0,0|1,0,0]=3 7563 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 2230a_100000210919_100011218270 [1,1,0,0,0,0|2,0,0]=4 7564 B15R0.189 CCCCCCC(C)NCCCC(=O)OC 34a_100000210919_100000742333 [1,1,0,0,0,0|2,0,0]=4 7565 B15R0.189 CCCCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210826 [1,1,0,0,0,0|2,0,0]=4 7566 B15R0.189 CCCCCCC(C)NCCNC(=O)CC 34a_100132302217_100011215978 [1,1,0,0,0,0|2,0,0]=4 7567 B15R0.189 CCCCCCC(C)NCCNC(=O)NC 34a_100015205895_100011215978 [1,1,0,0,0,0|2,0,0]=4 7568 B15R0.189 CCCCCCC(C)NCCOC(=O)NC 34a_100000210919_200011997002 [1,1,0,0,0,0|2,0,0]=4 7569 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 34a_100000210265_100000741757 [1,1,0,0,0,0|1,0,0]=3 7570 B15R0.189 CCCCCCC(C)OCCCC(=O)NC 7a_100000210265_100000741757 [1,1,0,0,0,0|1,0,0]=3 7571 B15R0.189 CCCCCCC(C)OCCCC(=O)NN 34a_100000211488_100011215978 [1,1,0,0,0,0|2,0,0]=4 7572 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 34a_100000210265_100000742333 [1,1,0,0,0,0|2,0,0]=4 7573 B15R0.189 CCCCCCC(C)OCCCC(=O)OC 7a_100000210265_100011218270 [1,1,0,0,0,0|2,0,0]=4 7574 B15R0.189 CCCCCCC(C)OCCNC(=O)CC 34a_200000158885_100011215978 [1,1,0,0,0,0|2,0,0]=4 7575 B15R0.189 CCCCCCC(C)OCCNC(=O)CC 7a_200000158885_100011215978 [1,1,0,0,0,0|2,0,0]=4 7576 B15R0.189 CCCCCCC(C)OCCOC(=O)CC 7a_200000031056_100011215978 [1,1,0,0,0,0|2,0,0]=4 7577 B15R0.189 CCCCCCC(C)OCCOC(=O)NC 34a_100000210265_200011997002 [1,1,0,0,0,0|2,0,0]=4 7578 B15R0.189 CCCCCCC(C)OCCOC(=O)NC 7a_100000210265_200011997002 [1,1,0,0,0,0|2,0,0]=4 7579 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100000741757_100011215978 [1,1,0,0,0,0|1,0,0]=3 7580 B15R0.189 CCCCCCC(C)SCCCC(=O)NC 62a_100011215978_100000741757 [1,1,0,0,0,0|1,0,0]=3 7581 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011215978_100011218270 [1,1,0,0,0,0|2,0,0]=4 7582 B15R0.189 CCCCCCC(C)SCCCC(=O)OC 62a_100011218270_100011215978 [1,1,0,0,0,0|2,0,0]=4 7583 B15R0.189 CCCCCCC(C)SCCOC(=O)NC 62a_100011215978_200011997002 [1,1,0,0,0,0|2,0,0]=4 7584 B15R0.189 CCCCCCC(C)SCCOC(=O)NC 62a_200011997002_100011215978 [1,1,0,0,0,0|2,0,0]=4 7585 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 2230a_106256046315_100000204269 [1,1,0,0,0,0|2,0,0]=4 7586 B15R0.189 CCCCCCN(C)CCCCC(=O)OC 269982a_106256046315_100000204269 [1,1,0,0,0,0|2,0,0]=4 7587 B15R0.189 CCCCOCC(C)OCCCC(=O)NC 34a_100011217071_100000741757 [1,1,0,0,0,0|2,0,0]=4 7588 B15R0.189 CCCCOCC(C)OCCCC(=O)NC 7a_100011217071_100000741757 [1,1,0,0,0,0|2,0,0]=4 7589 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210211 [1,1,0,0,0,0|1,0,1]=4 7590 B15R0.209 CCCCC(=O)CCCCCCC(=O)OC 1458a_100000210183_100009815986 [1,1,0,0,0,0|1,0,1]=4 7591 B15R0.209 CCCCC(C)CCCCOCC(=O)CC 7a_200011021034_100000747405 [1,1,0,0,0,0|1,0,0]=3 7592 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 34a_200011021034_100000183359 [1,1,0,0,0,0|1,0,0]=3 7593 B15R0.209 CCCCC(C)CCCCOCC(=O)NC 7a_200011021034_100000183359 [1,1,0,0,0,0|1,0,0]=3 7594 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 34a_200011021034_100000747449 [1,1,0,0,0,0|2,0,0]=4 7595 B15R0.209 CCCCC(C)CCCCOCC(=O)OC 7a_200011021034_100000747449 [1,1,0,0,0,0|2,0,0]=4 7596 B15R0.209 CCCCC(C)COCCCCC(=O)OC 34a_100011995851_100000204269 [1,1,0,0,0,0|2,0,0]=4 7597 B15R0.209 CCCCC(C)COCCCCC(=O)OC 7a_100011995851_100000204269 [1,1,0,0,0,0|2,0,0]=4 7598 B15R0.209 CCCCC(C)NCCCCCC(=O)OC 2230a_100000126638_100009816466 [1,1,0,0,0,0|2,0,0]=4 7599 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000074720_200011215066 [1,1,0,0,0,0|2,0,0]=4 7600 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 34a_100000687866_100009816466 [1,1,0,0,0,0|2,0,0]=4 7601 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000074720_200011215066 [1,1,0,0,0,0|2,0,0]=4 7602 B15R0.209 CCCCC(C)OCCCCCC(=O)OC 7a_100000687866_100009816466 [1,1,0,0,0,0|2,0,0]=4 7603 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_100009816466_200011215066 [1,1,0,0,0,0|2,0,0]=4 7604 B15R0.209 CCCCC(C)SCCCCCC(=O)OC 62a_200011215066_100009816466 [1,1,0,0,0,0|2,0,0]=4 7605 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 2230a_100000207549_100009815986 [1,1,0,0,0,0|2,0,0]=4 7606 B15R0.209 CCCCN(C)CCCCCCC(=O)OC 269982a_100000207549_100009815986 [1,1,0,0,0,0|2,0,0]=4 7607 B15R0.209 CCCC[C@H](N)COCCCCC(=O)OC 34a_100011934283_100000204269 [1,1,0,0,0,0|2,0,0]=4 7608 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100000212188_100009816466 [1,1,0,0,0,0|1,0,1]=4 7609 B15R0.233 CCCCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210326 [1,1,0,0,0,0|1,0,1]=4 7610 B15R0.233 CCCCCC(=O)CNCCCC(=O)NC 2230a_100000740002_200012276598 [1,1,0,0,0,0|1,0,1]=4 7611 B15R0.233 CCCCCC(=O)CNCCCC(=O)NC 34a_100000740002_200012276598 [1,1,0,0,0,0|1,0,1]=4 7612 B15R0.233 CCCCCC(=O)CSCCCC(=O)NC 62a_100000741757_200012276598 [1,1,0,0,0,0|1,0,1]=4 7613 B15R0.233 CCCCCC(=O)CSCCCC(=O)NC 62a_200012276598_100000741757 [1,1,0,0,0,0|1,0,1]=4 7614 B15R0.233 CCCCCC(C)NCCCCC(=O)OC 2230a_100000211957_100000204269 [1,1,0,0,0,0|2,0,0]=4 7615 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100000059025_200011218191 [1,1,0,0,0,0|2,0,0]=4 7616 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 34a_100011215632_100000204269 [1,1,0,0,0,0|2,0,0]=4 7617 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100000059025_200011218191 [1,1,0,0,0,0|2,0,0]=4 7618 B15R0.233 CCCCCC(C)OCCCCC(=O)OC 7a_100011215632_100000204269 [1,1,0,0,0,0|2,0,0]=4 7619 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_100000204269_200011218191 [1,1,0,0,0,0|2,0,0]=4 7620 B15R0.233 CCCCCC(C)SCCCCC(=O)OC 62a_200011218191_100000204269 [1,1,0,0,0,0|2,0,0]=4 7621 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 2230a_100000223495_100009816466 [1,1,0,0,0,0|2,0,0]=4 7622 B15R0.233 CCCCCN(C)CCCCCC(=O)OC 269982a_100000223495_100009816466 [1,1,0,0,0,0|2,0,0]=4 7623 B15R0.233 CNC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000741757 [1,1,0,0,0,0|2,0,0]=4 7624 B15R0.247 CC(C)CCCCCOCCCC(=O)NN 34a_100000211488_100000210682 [1,1,0,0,0,0|2,0,0]=4 7625 B15R0.247 CCC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747405 [1,1,0,0,0,0|1,0,0]=3 7626 B15R0.247 CCC(=O)NCCNCCCCCC(C)C 34a_100132302217_100000210682 [1,1,0,0,0,0|2,0,0]=4 7627 B15R0.247 CCC(=O)NCCOCCCCCC(C)C 34a_200000158885_100000210682 [1,1,0,0,0,0|2,0,0]=4 7628 B15R0.247 CCC(=O)NCCOCCCCCC(C)C 7a_200000158885_100000210682 [1,1,0,0,0,0|2,0,0]=4 7629 B15R0.247 CCC(=O)OCCOCCCCCC(C)C 7a_200000031056_100000210682 [1,1,0,0,0,0|2,0,0]=4 7630 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100000740002_100000210682 [1,1,0,0,0,0|1,0,0]=3 7631 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100000741757 [1,1,0,0,0,0|1,0,0]=3 7632 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100000740002_100000210682 [1,1,0,0,0,0|1,0,0]=3 7633 B15R0.247 CNC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000741757 [1,1,0,0,0,0|1,0,0]=3 7634 B15R0.247 CNC(=O)CCCNCCCOCC(C)C 2230a_100000205972_100000741757 [1,1,0,0,0,0|2,0,0]=4 7635 B15R0.247 CNC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000741757 [1,1,0,0,0,0|2,0,0]=4 7636 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000741757 [1,1,0,0,0,0|1,0,0]=3 7637 B15R0.247 CNC(=O)CCCOCCCCCC(C)C 7a_100011995859_100000741757 [1,1,0,0,0,0|1,0,0]=3 7638 B15R0.247 CNC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000741757 [1,1,0,0,0,0|2,0,0]=4 7639 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000210682_100000741757 [1,1,0,0,0,0|1,0,0]=3 7640 B15R0.247 CNC(=O)CCCSCCCCCC(C)C 62a_100000741757_100000210682 [1,1,0,0,0,0|1,0,0]=3 7641 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000737683 [1,1,0,0,0,0|1,0,0]=3 7642 B15R0.247 CNC(=O)CCNCCCCCCC(C)C 34a_100000211014_100012179268 [1,1,0,0,0,0|1,0,0]=3 7643 B15R0.247 CNC(=O)CCOCCCCCNC(C)C 34a_100011629493_100012179268 [1,1,0,0,0,0|2,0,0]=4 7644 B15R0.247 CNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183359 [1,1,0,0,0,0|1,0,0]=3 7645 B15R0.247 CNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183359 [1,1,0,0,0,0|1,0,0]=3 7646 B15R0.247 CNC(=O)NCCNCCCCCC(C)C 34a_100015205895_100000210682 [1,1,0,0,0,0|2,0,0]=4 7647 B15R0.247 CNC(=O)OCCNCCCCCC(C)C 34a_100011290863_200011997002 [1,1,0,0,0,0|2,0,0]=4 7648 B15R0.247 CNC(=O)OCCOCCCCCC(C)C 34a_100011995859_200011997002 [1,1,0,0,0,0|2,0,0]=4 7649 B15R0.247 CNC(=O)OCCOCCCCCC(C)C 7a_100011995859_200011997002 [1,1,0,0,0,0|2,0,0]=4 7650 B15R0.247 CNC(=O)OCCSCCCCCC(C)C 62a_100000210682_200011997002 [1,1,0,0,0,0|2,0,0]=4 7651 B15R0.247 CNC(=O)OCCSCCCCCC(C)C 62a_200011997002_100000210682 [1,1,0,0,0,0|2,0,0]=4 7652 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100000070787_100009813843 [1,1,0,0,0,0|1,0,1]=4 7653 B15R0.247 COC(=O)CCCCCCCCCC(=O)C 1458a_100009997464_200000210301 [1,1,0,0,0,0|1,0,1]=4 7654 B15R0.247 COC(=O)CCCCCCCCCC(=O)[13CH3] 1458a_100009997464_200025704644 [1,1,0,0,0,0|1,0,1]=4 7655 B15R0.247 COC(=O)CCCCCCCCCN(C)C 2230a_100102631434_100009813843 [1,1,0,0,0,0|2,0,0]=4 7656 B15R0.247 COC(=O)CCCCCCCCCN(C)C 269982a_100102631434_100009813843 [1,1,0,0,0,0|2,0,0]=4 7657 B15R0.247 COC(=O)CCCCCCCCNC(C)C 2230a_100138425928_100010282707 [1,1,0,0,0,0|2,0,0]=4 7658 B15R0.247 COC(=O)CCCCCCCCNC(C)C 34a_100138425928_100010282707 [1,1,0,0,0,0|2,0,0]=4 7659 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000035544_100000210206 [1,1,0,0,0,0|2,0,0]=4 7660 B15R0.247 COC(=O)CCCCCCCCOC(C)C 34a_100000212225_100010282707 [1,1,0,0,0,0|2,0,0]=4 7661 B15R0.247 COC(=O)CCCCCCCCOC(C)C 7a_100000035544_100000210206 [1,1,0,0,0,0|2,0,0]=4 7662 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100000210206_100010282707 [1,1,0,0,0,0|2,0,0]=4 7663 B15R0.247 COC(=O)CCCCCCCCSC(C)C 62a_100010282707_100000210206 [1,1,0,0,0,0|2,0,0]=4 7664 B15R0.247 COC(=O)CCCCCCCNCC(C)C 2230a_100000210953_100010004213 [1,1,0,0,0,0|2,0,0]=4 7665 B15R0.247 COC(=O)CCCCCCCNCC(C)C 34a_100000210953_100010004213 [1,1,0,0,0,0|2,0,0]=4 7666 B15R0.247 COC(=O)CCCCCCCNCC(C)O 2230a_100000210904_100010004213 [1,1,0,0,0,0|2,0,0]=4 7667 B15R0.247 COC(=O)CCCCCCCNCC(C)O 34a_100000210904_100010004213 [1,1,0,0,0,0|2,0,0]=4 7668 B15R0.247 COC(=O)CCCCCCCOCC(C)Br 34a_100012180447_100010004213 [1,1,0,0,0,0|2,0,0]=4 7669 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100000210257_100010004213 [1,1,0,0,0,0|2,0,0]=4 7670 B15R0.247 COC(=O)CCCCCCCOCC(C)C 34a_100011022521_100000210624 [1,1,0,0,0,0|2,0,0]=4 7671 B15R0.247 COC(=O)CCCCCCCOCC(C)C 7a_100011022521_100000210760 [1,1,0,0,0,0|2,0,0]=4 7672 B15R0.247 COC(=O)CCCCCCCOCC(C)F 34a_100015925927_100010004213 [1,1,0,0,0,0|2,0,0]=4 7673 B15R0.247 COC(=O)CCCCCCCOCC(C)O 34a_100011022521_100011218427 [1,1,0,0,0,0|2,0,0]=4 7674 B15R0.247 COC(=O)CCCCCCCOCC(C)O 7a_100011022521_100011218427 [1,1,0,0,0,0|2,0,0]=4 7675 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010004213 [1,1,0,0,0,0|2,0,0]=4 7676 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)N 34a_100000737577_100010004213 [1,1,0,0,0,0|2,0,0]=4 7677 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 34a_100011022521_100009817552 [1,1,0,0,0,0|2,0,0]=4 7678 B15R0.247 COC(=O)CCCCCCCOC[C@@H](C)O 7a_100011022521_100009817552 [1,1,0,0,0,0|2,0,0]=4 7679 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100000210624_100010004213 [1,1,0,0,0,0|2,0,0]=4 7680 B15R0.247 COC(=O)CCCCCCCSCC(C)C 62a_100010004213_100000210760 [1,1,0,0,0,0|2,0,0]=4 7681 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100010004213_100011218427 [1,1,0,0,0,0|2,0,0]=4 7682 B15R0.247 COC(=O)CCCCCCCSCC(C)O 62a_100011218427_100010004213 [1,1,0,0,0,0|2,0,0]=4 7683 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100009817552_100010004213 [1,1,0,0,0,0|2,0,0]=4 7684 B15R0.247 COC(=O)CCCCCCCSC[C@@H](C)O 62a_100010004213_100009817552 [1,1,0,0,0,0|2,0,0]=4 7685 B15R0.247 COC(=O)CCCCCCNCCC(C)O 2230a_200000755665_100009815986 [1,1,0,0,0,0|2,0,0]=4 7686 B15R0.247 COC(=O)CCCCCCOCCC(C)Br 34a_100009893172_100009815986 [1,1,0,0,0,0|2,0,0]=4 7687 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100000210254_100009815986 [1,1,0,0,0,0|2,0,0]=4 7688 B15R0.247 COC(=O)CCCCCCOCCC(C)C 34a_100009863599_100000210312 [1,1,0,0,0,0|2,0,0]=4 7689 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100000210254_100009815986 [1,1,0,0,0,0|2,0,0]=4 7690 B15R0.247 COC(=O)CCCCCCOCCC(C)C 7a_100009863599_100000210626 [1,1,0,0,0,0|2,0,0]=4 7691 B15R0.247 COC(=O)CCCCCCOCCC(C)O 34a_100009863599_100012276601 [1,1,0,0,0,0|2,0,0]=4 7692 B15R0.247 COC(=O)CCCCCCOCCC(C)O 7a_100009863599_100012276601 [1,1,0,0,0,0|2,0,0]=4 7693 B15R0.247 COC(=O)CCCCCCOCC[C@@H](C)N 34a_100000706166_100009815986 [1,1,0,0,0,0|2,0,0]=4 7694 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100000210312_100009815986 [1,1,0,0,0,0|2,0,0]=4 7695 B15R0.247 COC(=O)CCCCCCSCCC(C)C 62a_100009815986_100000210312 [1,1,0,0,0,0|2,0,0]=4 7696 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100009815986_100012276601 [1,1,0,0,0,0|2,0,0]=4 7697 B15R0.247 COC(=O)CCCCCCSCCC(C)O 62a_100012276601_100009815986 [1,1,0,0,0,0|2,0,0]=4 7698 B15R0.247 COC(=O)CCCCCNCCCC(C)C 2230a_200000737386_100009816466 [1,1,0,0,0,0|2,0,0]=4 7699 B15R0.247 COC(=O)CCCCCNCCCC(C)C 34a_200000737386_100009816466 [1,1,0,0,0,0|2,0,0]=4 7700 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000074720_100011214892 [1,1,0,0,0,0|2,0,0]=4 7701 B15R0.247 COC(=O)CCCCCOCCCC(C)C 34a_100000210774_100009816466 [1,1,0,0,0,0|2,0,0]=4 7702 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000074720_100011214892 [1,1,0,0,0,0|2,0,0]=4 7703 B15R0.247 COC(=O)CCCCCOCCCC(C)C 7a_100000210774_100009816466 [1,1,0,0,0,0|2,0,0]=4 7704 B15R0.247 COC(=O)CCCCCOCCCC(C)O 34a_100000074720_200000718107 [1,1,0,0,0,0|2,0,0]=4 7705 B15R0.247 COC(=O)CCCCCOCCCC(C)O 7a_100000074720_200000718107 [1,1,0,0,0,0|2,0,0]=4 7706 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100009816466_100011214892 [1,1,0,0,0,0|2,0,0]=4 7707 B15R0.247 COC(=O)CCCCCSCCCC(C)C 62a_100011214892_100009816466 [1,1,0,0,0,0|2,0,0]=4 7708 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_100009816466_200000718107 [1,1,0,0,0,0|2,0,0]=4 7709 B15R0.247 COC(=O)CCCCCSCCCC(C)O 62a_200000718107_100009816466 [1,1,0,0,0,0|2,0,0]=4 7710 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100000059025_100011216152 [1,1,0,0,0,0|2,0,0]=4 7711 B15R0.247 COC(=O)CCCCOCCCCC(C)C 34a_100011214890_100000204269 [1,1,0,0,0,0|2,0,0]=4 7712 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100000059025_100011216152 [1,1,0,0,0,0|2,0,0]=4 7713 B15R0.247 COC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000204269 [1,1,0,0,0,0|2,0,0]=4 7714 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100000204269_100011216152 [1,1,0,0,0,0|2,0,0]=4 7715 B15R0.247 COC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000204269 [1,1,0,0,0,0|2,0,0]=4 7716 B15R0.247 COC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011218270 [1,1,0,0,0,0|2,0,0]=4 7717 B15R0.247 COC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000742333 [1,1,0,0,0,0|2,0,0]=4 7718 B15R0.247 COC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000742333 [1,1,0,0,0,0|2,0,0]=4 7719 B15R0.247 COC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011218270 [1,1,0,0,0,0|2,0,0]=4 7720 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011218270 [1,1,0,0,0,0|2,0,0]=4 7721 B15R0.247 COC(=O)CCCSCCCCCC(C)C 62a_100011218270_100000210682 [1,1,0,0,0,0|2,0,0]=4 7722 B15R0.247 COC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100000204255 [1,1,0,0,0,0|2,0,0]=4 7723 B15R0.247 COC(=O)CCNCCCCCCC(C)C 34a_100000211014_100000742370 [1,1,0,0,0,0|2,0,0]=4 7724 B15R0.247 COC(=O)COCCCCCCCC(C)C 34a_200000210741_100000747449 [1,1,0,0,0,0|2,0,0]=4 7725 B15R0.247 COC(=O)COCCCCCCCC(C)C 7a_200000210741_100000747449 [1,1,0,0,0,0|2,0,0]=4 7726 B15R0.253 CCCCCCCCCCCC(CC)NC 270004a_106832991635_100011216094 [1,1,0,0,0,0|1,0,1]=4 7727 B15R0.253 CCCCCCCCCCCN(CC)CC 2230a_100000724800_100011215454 [1,1,0,0,0,0|2,0,0]=4 7728 B15R0.253 CCCCCCCCCCCN(CC)CC 269956a_100000042499_100011215454 [1,1,0,0,0,0|2,0,0]=4 7729 B15R0.253 CCCCCCCCCCCN(CC)CC 269982a_100000724800_100011215454 [1,1,0,0,0,0|2,0,0]=4 7730 B15R0.253 CCCCCCOCCCCN(CC)N=O 34a_200000035056_100000210314 [1,1,0,0,0,0|2,0,0]=4 7731 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC 270084a_100000684558_100000211323 [1,1,0,0,0,0|2,0,0]=4 7732 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC 274078a_100000684558_100000211323 [1,1,0,0,0,0|2,0,0]=4 7733 B15R0.254 CCCCCCCCCCNS(=O)(=O)CC 40a_100000684558_100000053943 [1,1,0,0,0,0|2,0,0]=4 7734 B15R0.254 CCCCCCCCNCCS(=O)(=O)CC 2230a_100000229939_100000756660 [1,1,0,0,0,0|2,0,0]=4 7735 B15R0.254 CCCCCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210759 [1,1,0,0,0,0|2,0,0]=4 7736 B15R0.254 CCCCCCCCNCCS(=O)(=O)CC 34a_100000229939_100000756660 [1,1,0,0,0,0|2,0,0]=4 7737 B15R0.254 CCCCCCCCNCCS(=O)(=O)CC 34a_100000751051_100000210759 [1,1,0,0,0,0|2,0,0]=4 7738 B15R0.254 CCCCCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210759 [1,1,0,0,0,0|2,0,0]=4 7739 B15R0.254 CCCCCCCCNCCS(=O)(=O)NC 34a_100000710037_100000210759 [1,1,0,0,0,0|2,0,0]=4 7740 B15R0.254 CCCCCCCCOCCS(=O)(=O)CC 34a_100000210232_100000756660 [1,1,0,0,0,0|2,0,0]=4 7741 B15R0.254 CCCCCCCCOCCS(=O)(=O)CC 34a_200011216379_100000210759 [1,1,0,0,0,0|2,0,0]=4 7742 B15R0.254 CCCCCCCCOCCS(=O)(=O)CC 7a_100000210232_100000756660 [1,1,0,0,0,0|2,0,0]=4 7743 B15R0.254 CCCCCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210759 [1,1,0,0,0,0|2,0,0]=4 7744 B15R0.254 CCCCCCCCSCCS(=O)(=O)CC 62a_100000210759_100000756660 [1,1,0,0,0,0|2,0,0]=4 7745 B15R0.254 CCCCCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210317 [1,1,0,0,0,0|2,0,0]=4 7746 B15R0.324 CCC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000742827 [1,1,0,0,0,0|2,0,0]=4 7747 B15R0.324 CCC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000742827 [1,1,0,0,0,0|2,0,0]=4 7748 B15R0.324 CCC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000742827 [1,1,0,0,0,0|2,0,0]=4 7749 B15R0.324 CCC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000742827 [1,1,0,0,0,0|2,0,0]=4 7750 B15R0.324 CCC(=O)C(C)SCCCCCCCCO 62a_100000742827_100000033203 [1,1,0,0,0,0|2,0,0]=4 7751 B15R0.324 CCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210319 [1,1,0,0,0,0|0,0,1]=3 7752 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 11a_100000207566_100000210414 [1,1,0,0,0,0|1,0,0]=3 7753 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 1626a_100000207566_100000210414 [1,1,0,0,0,0|1,0,0]=3 7754 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 240690a_100000207566_100000210414 [1,1,0,0,0,0|1,0,0]=3 7755 B15R0.324 CCCCCCCCCCN(C)C(=O)CC 527a_100000207566_100000210414 [1,1,0,0,0,0|1,0,0]=3 7756 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 240690a_100000207566_100000210174 [1,1,0,0,0,0|2,0,0]=4 7757 B15R0.324 CCCCCCCCCCN(C)C(=O)CO 527a_100000207566_100000210174 [1,1,0,0,0,0|2,0,0]=4 7758 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000207566 [1,1,0,0,0,0|1,0,0]=3 7759 B15R0.324 CCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000207566 [1,1,0,0,0,0|1,0,0]=3 7760 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 1626a_100000212291_100011218921 [1,1,0,0,0,0|1,0,1]=4 7761 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 240690a_100000212291_100011218921 [1,1,0,0,0,0|1,0,1]=4 7762 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 527a_100000212291_100011218921 [1,1,0,0,0,0|1,0,1]=4 7763 B15R0.324 CCCCCCCCCNC(C)C(=O)CC 2230a_100000212291_100000742827 [1,1,0,0,0,0|1,0,0]=3 7764 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 2230a_100000212291_100000731044 [1,1,0,0,0,0|1,0,0]=3 7765 B15R0.324 CCCCCCCCCNC(C)C(=O)NC 34a_100000212291_100000731044 [1,1,0,0,0,0|1,0,0]=3 7766 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 2230a_100000212291_100000211248 [1,1,0,0,0,0|2,0,0]=4 7767 B15R0.324 CCCCCCCCCNC(C)C(=O)OC 34a_100000212291_100000211248 [1,1,0,0,0,0|2,0,0]=4 7768 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 2230a_100000212291_100009813575 [1,1,0,0,0,0|1,0,0]=3 7769 B15R0.324 CCCCCCCCCNC(F)C(=O)NC 34a_100000212291_100009813575 [1,1,0,0,0,0|1,0,0]=3 7770 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011214924 [1,1,0,0,0,0|1,0,0]=3 7771 B15R0.324 CCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011214924 [1,1,0,0,0,0|1,0,0]=3 7772 B15R0.324 CCCCCCCCCOC(C)C(=O)CC 7a_100000210712_100000742827 [1,1,0,0,0,0|1,0,0]=3 7773 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 34a_100000210712_100000731044 [1,1,0,0,0,0|1,0,0]=3 7774 B15R0.324 CCCCCCCCCOC(C)C(=O)NC 7a_100000210712_100000209862 [1,1,0,0,0,0|1,0,0]=3 7775 B15R0.324 CCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100011214924 [1,1,0,0,0,0|2,0,0]=4 7776 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100000210712_100000211248 [1,1,0,0,0,0|2,0,0]=4 7777 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011214924 [1,1,0,0,0,0|2,0,0]=4 7778 B15R0.324 CCCCCCCCCOC(C)C(=O)OC 7a_100000210712_100000211248 [1,1,0,0,0,0|2,0,0]=4 7779 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 34a_100000210712_100009813575 [1,1,0,0,0,0|1,0,0]=3 7780 B15R0.324 CCCCCCCCCOC(F)C(=O)NC 7a_100000210712_100009813575 [1,1,0,0,0,0|1,0,0]=3 7781 B15R0.324 CCCCCCCCCSC(C)C(=O)CC 62a_100000742827_100000210670 [1,1,0,0,0,0|1,0,0]=3 7782 B15R0.324 CCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000210670 [1,1,0,0,0,0|1,0,0]=3 7783 B15R0.324 CCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100000210670 [1,1,0,0,0,0|2,0,0]=4 7784 B15R0.324 CCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000210670 [1,1,0,0,0,0|1,0,0]=3 7785 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210759 [1,1,0,0,0,0|1,0,0]=3 7786 B15R0.324 CCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210759 [1,1,0,0,0,0|1,0,0]=3 7787 B15R0.324 CCCCCCCCNCC(C)C(=O)OC 34a_100000229939_100000698445 [1,1,0,0,0,0|2,0,0]=4 7788 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000210232_100000698445 [1,1,0,0,0,0|2,0,0]=4 7789 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210759 [1,1,0,0,0,0|2,0,0]=4 7790 B15R0.324 CCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210759 [1,1,0,0,0,0|2,0,0]=4 7791 B15R0.324 CCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210759 [1,1,0,0,0,0|2,0,0]=4 7792 B15R0.324 CCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210759 [1,1,0,0,0,0|2,0,0]=4 7793 B15R0.324 CCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210759 [1,1,0,0,0,0|2,0,0]=4 7794 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000210759_100000698445 [1,1,0,0,0,0|2,0,0]=4 7795 B15R0.324 CCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210317 [1,1,0,0,0,0|2,0,0]=4 7796 B15R0.324 CCCCCCCNCCC(C)C(=O)OC 2230a_100000229938_100000034942 [1,1,0,0,0,0|2,0,0]=4 7797 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 34a_100000210272_100000034942 [1,1,0,0,0,0|2,0,0]=4 7798 B15R0.324 CCCCCCCOCCC(C)C(=O)OC 7a_100000210272_100000034942 [1,1,0,0,0,0|2,0,0]=4 7799 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210316 [1,1,0,0,0,0|2,0,0]=4 7800 B15R0.324 CCCCCCCSCCC(C)C(=O)OC 62a_100000210614_100000034942 [1,1,0,0,0,0|2,0,0]=4 7801 B15R0.324 CCCCCCOCCOC(C)C(=O)CC 7a_100000691444_100000742827 [1,1,0,0,0,0|2,0,0]=4 7802 B15R0.324 CCCCCCOCCOC(C)C(=O)NC 34a_100000691444_100000731044 [1,1,0,0,0,0|2,0,0]=4 7803 B15R0.324 CCCCCCOCCOC(C)C(=O)NC 7a_100000691444_100000209862 [1,1,0,0,0,0|2,0,0]=4 7804 B15R0.324 CCCCCCOCCOC(F)C(=O)NC 34a_100000691444_100009813575 [1,1,0,0,0,0|2,0,0]=4 7805 B15R0.324 CCCCCCOCCOC(F)C(=O)NC 7a_100000691444_100009813575 [1,1,0,0,0,0|2,0,0]=4 7806 B15R0.324 CCCCNCCCCOC(C)C(=O)NC 34a_200011216965_100000731044 [1,1,0,0,0,0|2,0,0]=4 7807 B15R0.324 CCCCNCCCCOC(F)C(=O)NC 34a_200011216965_100009813575 [1,1,0,0,0,0|2,0,0]=4 7808 B15R0.324 CCCCOCCCCOC(C)C(=O)CC 7a_200000760531_100000742827 [1,1,0,0,0,0|2,0,0]=4 7809 B15R0.324 CCCCOCCCCOC(C)C(=O)NC 34a_200000760531_100000731044 [1,1,0,0,0,0|2,0,0]=4 7810 B15R0.324 CCCCOCCCCOC(C)C(=O)NC 7a_200000760531_100000209862 [1,1,0,0,0,0|2,0,0]=4 7811 B15R0.324 CCCCOCCCCOC(F)C(=O)NC 34a_200000760531_100009813575 [1,1,0,0,0,0|2,0,0]=4 7812 B15R0.324 CCCCOCCCCOC(F)C(=O)NC 7a_200000760531_100009813575 [1,1,0,0,0,0|2,0,0]=4 7813 B15R0.324 CNC(=O)C(=O)CCCCCCCCCO 1458a_100011218921_100009813782 [1,1,0,0,0,0|1,0,1]=4 7814 B15R0.324 CNC(=O)C(C)CNCCCCCCCO 2230a_100015187722_100000760002 [1,1,0,0,0,0|2,0,0]=4 7815 B15R0.324 CNC(=O)C(C)CNCCCCCCCO 34a_100015187722_100000760002 [1,1,0,0,0,0|2,0,0]=4 7816 B15R0.324 CNC(=O)C(C)CNCCCCCCOC 2230a_100015187722_100011998445 [1,1,0,0,0,0|2,0,0]=4 7817 B15R0.324 CNC(=O)C(C)CNCCCCCCOC 34a_100015187722_100011998445 [1,1,0,0,0,0|2,0,0]=4 7818 B15R0.324 CNC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000731044 [1,1,0,0,0,0|2,0,0]=4 7819 B15R0.324 CNC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000731044 [1,1,0,0,0,0|2,0,0]=4 7820 B15R0.324 CNC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000731044 [1,1,0,0,0,0|2,0,0]=4 7821 B15R0.324 CNC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000209862 [1,1,0,0,0,0|2,0,0]=4 7822 B15R0.324 CNC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000731044 [1,1,0,0,0,0|2,0,0]=4 7823 B15R0.324 CNC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000209862 [1,1,0,0,0,0|2,0,0]=4 7824 B15R0.324 CNC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000731044 [1,1,0,0,0,0|2,0,0]=4 7825 B15R0.324 CNC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000731044 [1,1,0,0,0,0|2,0,0]=4 7826 B15R0.324 CNC(=O)C(C)SCCCCCCCCO 62a_100000209862_100000033203 [1,1,0,0,0,0|2,0,0]=4 7827 B15R0.324 CNC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100009813575 [1,1,0,0,0,0|2,0,0]=4 7828 B15R0.324 CNC(=O)C(F)NCCCCCCCCO 34a_102515433106_100009813575 [1,1,0,0,0,0|2,0,0]=4 7829 B15R0.324 CNC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100009813575 [1,1,0,0,0,0|2,0,0]=4 7830 B15R0.324 CNC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100009813575 [1,1,0,0,0,0|2,0,0]=4 7831 B15R0.324 CNC(=O)C(F)OCCCCCCCCCl 34a_100000033203_100009813575 [1,1,0,0,0,0|2,0,0]=4 7832 B15R0.324 CNC(=O)C(F)OCCCCCCCCCl 7a_100000033203_100009813575 [1,1,0,0,0,0|2,0,0]=4 7833 B15R0.324 CNC(=O)C(F)OCCCCCCCCN 34a_102515433106_100009813575 [1,1,0,0,0,0|2,0,0]=4 7834 B15R0.324 CNC(=O)C(F)SCCCCCCCCO 62a_100000033203_100009813575 [1,1,0,0,0,0|2,0,0]=4 7835 B15R0.324 CNC(=O)C(F)SCCCCCCCCO 62a_100009813575_100000033203 [1,1,0,0,0,0|2,0,0]=4 7836 B15R0.324 CNC(=O)[C@@H](C)NCCCCCCCCO 2230a_100000684985_100000033203 [1,1,0,0,0,0|2,0,0]=4 7837 B15R0.324 CNC(=O)[C@@H](C)NCCCCCCCCO 34a_100000684985_100000033203 [1,1,0,0,0,0|2,0,0]=4 7838 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [1,1,0,0,0,0|1,0,1]=4 7839 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [1,1,0,0,0,0|1,0,1]=4 7840 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 34a_100011713154_100000741757 [1,1,0,0,0,0|1,0,0]=3 7841 B15R0.384 CCCC(C)CCCOCCCC(=O)NC 7a_100011713154_100000741757 [1,1,0,0,0,0|1,0,0]=3 7842 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 34a_100011713154_100000742333 [1,1,0,0,0,0|2,0,0]=4 7843 B15R0.384 CCCC(C)CCCOCCCC(=O)OC 7a_100011713154_100011218270 [1,1,0,0,0,0|2,0,0]=4 7844 B15R0.384 CCCC(C)CCCOCCOC(=O)NC 34a_100011713154_200011997002 [1,1,0,0,0,0|2,0,0]=4 7845 B15R0.384 CCCC(C)CCCOCCOC(=O)NC 7a_100011713154_200011997002 [1,1,0,0,0,0|2,0,0]=4 7846 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 34a_100011217855_100000204269 [1,1,0,0,0,0|2,0,0]=4 7847 B15R0.384 CCCC(C)CCOCCCCC(=O)OC 7a_100011217855_100000204269 [1,1,0,0,0,0|2,0,0]=4 7848 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000074720_100011216630 [1,1,0,0,0,0|2,0,0]=4 7849 B15R0.384 CCCC(C)COCCCCCC(=O)OC 34a_100000688023_100009816466 [1,1,0,0,0,0|2,0,0]=4 7850 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000074720_100011216630 [1,1,0,0,0,0|2,0,0]=4 7851 B15R0.384 CCCC(C)COCCCCCC(=O)OC 7a_100000688023_100009816466 [1,1,0,0,0,0|2,0,0]=4 7852 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100009816466_100011216630 [1,1,0,0,0,0|2,0,0]=4 7853 B15R0.384 CCCC(C)CSCCCCCC(=O)OC 62a_100011216630_100009816466 [1,1,0,0,0,0|2,0,0]=4 7854 B15R0.384 CCCC(C)NCCCCCCC(=O)OC 2230a_100000741246_100009815986 [1,1,0,0,0,0|2,0,0]=4 7855 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100000764384_100009815986 [1,1,0,0,0,0|2,0,0]=4 7856 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 34a_100009863599_100000766640 [1,1,0,0,0,0|2,0,0]=4 7857 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100000764384_100009815986 [1,1,0,0,0,0|2,0,0]=4 7858 B15R0.384 CCCC(C)OCCCCCCC(=O)OC 7a_100009863599_100000766640 [1,1,0,0,0,0|2,0,0]=4 7859 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100000766640_100009815986 [1,1,0,0,0,0|2,0,0]=4 7860 B15R0.384 CCCC(C)SCCCCCCC(=O)OC 62a_100009815986_100000766640 [1,1,0,0,0,0|2,0,0]=4 7861 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 2230a_100000747261_100010004213 [1,1,0,0,0,0|2,0,0]=4 7862 B15R0.384 CCCN(C)CCCCCCCC(=O)OC 269982a_100000747261_100010004213 [1,1,0,0,0,0|2,0,0]=4 7863 B15R0.384 CCC[C@H](N)CCOCCCCC(=O)OC 34a_100015193777_100000204269 [1,1,0,0,0,0|2,0,0]=4 7864 B15R0.384 CCC[C@H](N)COCCCCCC(=O)OC 34a_100000732646_100009816466 [1,1,0,0,0,0|2,0,0]=4 7865 B15R0.384 CCOC(=O)CCCCCCCC(=O)CC 1458a_100000210414_100009991516 [1,1,0,0,0,0|1,0,1]=4 7866 B15R0.2405 CCCCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210759 [1,1,0,0,0,0|0,0,1]=3 7867 B15R0.2405 CCCCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210759 [1,1,0,0,0,0|1,0,1]=4 7868 B15R0.2405 CCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210759 [1,1,0,0,0,0|1,0,1]=4 7869 B15R0.2405 CCCCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210759 [1,1,0,0,0,0|1,0,1]=4 7870 B15R0.2405 CCCCCCCCC(=O)NCC(=O)NC 11a_100000693194_100000210188 [1,1,0,0,0,0|1,0,1]=4 7871 B15R0.2405 CCCCCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210188 [1,1,0,0,0,0|1,0,1]=4 7872 B15R0.2405 CCCCCCCCC(=O)NCC(=O)NC 527a_100000693194_100000210188 [1,1,0,0,0,0|1,0,1]=4 7873 B15R0.2405 CCCCCCCCC(C)NCC(=O)NC 270004a_100000693194_100011216694 [1,1,0,0,0,0|1,0,0]=3 7874 B15R0.2405 CCCCCCCCC(C)OCC(=O)CC 7a_100000210740_100000747405 [1,1,0,0,0,0|1,0,0]=3 7875 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 34a_100000210740_100000183359 [1,1,0,0,0,0|1,0,0]=3 7876 B15R0.2405 CCCCCCCCC(C)OCC(=O)NC 7a_100000210740_100000183359 [1,1,0,0,0,0|1,0,0]=3 7877 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 34a_100000210740_100000747449 [1,1,0,0,0,0|2,0,0]=4 7878 B15R0.2405 CCCCCCCCC(C)OCC(=O)OC 7a_100000210740_100000747449 [1,1,0,0,0,0|2,0,0]=4 7879 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000207567_100000737683 [1,1,0,0,0,0|1,0,0]=3 7880 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210759 [1,1,0,0,0,0|1,0,0]=3 7881 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000207567_100000737683 [1,1,0,0,0,0|1,0,0]=3 7882 B15R0.2405 CCCCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210759 [1,1,0,0,0,0|1,0,0]=3 7883 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 2230a_100000207567_100000204255 [1,1,0,0,0,0|2,0,0]=4 7884 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100000207567_100000204255 [1,1,0,0,0,0|2,0,0]=4 7885 B15R0.2405 CCCCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210759 [1,1,0,0,0,0|2,0,0]=4 7886 B15R0.2405 CCCCCCCNC(=O)CCC(=O)NC 11a_100000229938_100011309844 [1,1,0,0,0,0|1,0,1]=4 7887 B15R0.2405 CCCCCCCNC(=O)CCC(=O)NC 1626a_100000229938_100011309844 [1,1,0,0,0,0|1,0,1]=4 7888 B15R0.2405 CCCCCCCNC(=O)CCC(=O)NC 240690a_100000229938_100011309844 [1,1,0,0,0,0|1,0,1]=4 7889 B15R0.2405 CCCCCCCNC(=O)CCC(=O)NC 527a_100000229938_100011309844 [1,1,0,0,0,0|1,0,1]=4 7890 B15R0.2405 CNC(=O)CCC(=O)CCCCCCCO 1458a_100011309844_100000760002 [1,1,0,0,0,0|1,0,1]=4 7891 B15R0.2405 CNC(=O)CCC(=O)CCCCCCOC 1458a_100011309844_100011998445 [1,1,0,0,0,0|1,0,1]=4 7892 B15R0.2405 CNC(=O)CCN(C)CCCCCCCO 2230a_100000750875_100000760002 [1,1,0,0,0,0|2,0,0]=4 7893 B15R0.2405 CNC(=O)CCN(C)CCCCCCCO 269982a_100000750875_100000760002 [1,1,0,0,0,0|2,0,0]=4 7894 B15R0.2405 CNC(=O)CCN(C)CCCCCCOC 2230a_100000750875_100011998445 [1,1,0,0,0,0|2,0,0]=4 7895 B15R0.2405 CNC(=O)CCN(C)CCCCCCOC 269982a_100000750875_100011998445 [1,1,0,0,0,0|2,0,0]=4 7896 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [1,1,0,0,0,0|0,0,1]=3 7897 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [1,1,0,0,0,0|0,0,1]=3 7898 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [1,1,0,0,0,0|1,0,1]=4 7899 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [1,1,0,0,0,0|1,0,1]=4 7900 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 1626a_100102657272_200012339438 [1,1,0,0,0,0|0,0,0]=2 7901 B15R0.3221 CCCCCCCCCC(O)CC(=O)NC 240690a_100102657272_200012339438 [1,1,0,0,0,0|0,0,0]=2 7902 B15R0.3221 CCCCCCCCCN(C)CC(=O)CC 269982a_100000232482_100000747405 [1,1,0,0,0,0|1,0,0]=3 7903 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011214924 [1,1,0,0,0,0|1,0,0]=3 7904 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 2230a_100000232482_100000183359 [1,1,0,0,0,0|1,0,0]=3 7905 B15R0.3221 CCCCCCCCCN(C)CC(=O)NC 269982a_100000232482_100000183359 [1,1,0,0,0,0|1,0,0]=3 7906 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011214924 [1,1,0,0,0,0|2,0,0]=4 7907 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 2230a_100000232482_100000747449 [1,1,0,0,0,0|2,0,0]=4 7908 B15R0.3221 CCCCCCCCCN(C)CC(=O)OC 269982a_100000232482_100000747449 [1,1,0,0,0,0|2,0,0]=4 7909 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 2230a_100000229939_100009817358 [1,1,0,0,0,0|2,0,0]=4 7910 B15R0.3221 CCCCCCCCNC(C)CC(=O)OC 34a_100000229939_100009817358 [1,1,0,0,0,0|2,0,0]=4 7911 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 34a_100000210232_100009817358 [1,1,0,0,0,0|2,0,0]=4 7912 B15R0.3221 CCCCCCCCOC(C)CC(=O)OC 7a_100000210232_100009817358 [1,1,0,0,0,0|2,0,0]=4 7913 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100000210759_100009817358 [1,1,0,0,0,0|2,0,0]=4 7914 B15R0.3221 CCCCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210317 [1,1,0,0,0,0|2,0,0]=4 7915 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210272_100000754131 [1,1,0,0,0,0|2,0,0]=4 7916 B15R0.3221 CCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210272_100000754131 [1,1,0,0,0,0|2,0,0]=4 7917 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000210614_100000754131 [1,1,0,0,0,0|2,0,0]=4 7918 B15R0.3221 CCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210316 [1,1,0,0,0,0|2,0,0]=4 7919 B15R0.3221 CNC(=O)CN(C)CCCCCCCCO 2230a_100000189611_100000033203 [1,1,0,0,0,0|2,0,0]=4 7920 B15R0.70 C#CCNCCCCCCCCCCCC 2230a_100000210451_100000038162 [1,1,0,0,0,0|0,0,2]=4 7921 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000210451_100000184674 [1,1,0,0,0,0|0,0,2]=4 7922 B15R0.70 C#CCNCCCCCCCCCCCC 34a_100000212058_100000759014 [1,1,0,0,0,0|0,0,2]=4 7923 B15R0.70 C=CCCCCCCCCCCCNCC 2230a_100015525214_102130925996 [1,1,0,0,0,0|0,0,2]=4 7924 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100000210451_100000210623 [1,1,0,0,0,0|0,0,2]=4 7925 B15R0.70 C=CCNCCCCCCCCCCCC 2230a_100020586998_100011215052 [1,1,0,0,0,0|0,0,2]=4 7926 B15R0.70 C=CCNCCCCCCCCCCCC 270004a_100020586998_100011218549 [1,1,0,0,0,0|0,0,2]=4 7927 B15R0.70 C=CCNCCCCCCCCCCCC 34a_100000210451_100015514636 [1,1,0,0,0,0|0,0,2]=4 7928 B15R0.70 CC/C=C/CCCCCCCCCCOC 34a_200025759790_200000210301 [1,1,0,0,0,0|1,0,0]=3 7929 B15R0.70 CC/C=C/CCCCCCCCCCOC 7a_200025759790_200000210301 [1,1,0,0,0,0|1,0,0]=3 7930 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 34a_200025759790_200025704644 [1,1,0,0,0,0|1,0,0]=3 7931 B15R0.70 CC/C=C/CCCCCCCCCCO[13CH3] 7a_200025759790_200025704644 [1,1,0,0,0,0|1,0,0]=3 7932 B15R0.70 CC/C=C/CCCOCCCCCCCC 34a_100016287902_100000210759 [1,1,0,0,0,0|1,0,0]=3 7933 B15R0.70 CC/C=C/CCCOCCCCCCCC 7a_100016287902_100000210759 [1,1,0,0,0,0|1,0,0]=3 7934 B15R0.70 CC/C=C/CCCOCCCCCCCO 34a_100016287902_100000760002 [1,1,0,0,0,0|2,0,0]=4 7935 B15R0.70 CC/C=C/CCCOCCCCCCCO 7a_100016287902_100000760002 [1,1,0,0,0,0|2,0,0]=4 7936 B15R0.70 CC/C=C/CCCOCCCCCCOC 34a_100016287902_100011998445 [1,1,0,0,0,0|2,0,0]=4 7937 B15R0.70 CC/C=C/CCCOCCCCCCOC 7a_100016287902_100011998445 [1,1,0,0,0,0|2,0,0]=4 7938 B15R0.70 CC/C=C\CCCCCCCNCCCC 269862a_100000102301_200025770492 [1,1,0,0,0,0|1,0,0]=3 7939 B15R0.70 CC/C=C\CCCCCCCNCCCF 269862a_100015189416_200025770492 [1,1,0,0,0,0|2,0,0]=4 7940 B15R0.70 CC/C=C\CCCCCCCNCCCO 269862a_100000182051_200025770492 [1,1,0,0,0,0|2,0,0]=4 7941 B15R0.70 CC/C=C\CCCCCCCNCCOC 269862a_100000209980_200025770492 [1,1,0,0,0,0|2,0,0]=4 7942 B15R0.70 CC/C=C\CCCCCCCNCCSC 269862a_100020590264_200025770492 [1,1,0,0,0,0|2,0,0]=4 7943 B15R0.70 CC/C=C\CCCCCNCCCCCC 269862a_100000210581_100016288537 [1,1,0,0,0,0|1,0,0]=3 7944 B15R0.70 CC/C=C\CCCCCNCCCCCO 269862a_100000762737_100016288537 [1,1,0,0,0,0|2,0,0]=4 7945 B15R0.70 CC/C=C\CCCCCNCCCOCC 269862a_100000210961_100016288537 [1,1,0,0,0,0|2,0,0]=4 7946 B15R0.70 CC/C=C\CCCCCNCCOCCC 269862a_100161115042_100016288537 [1,1,0,0,0,0|2,0,0]=4 7947 B15R0.70 CC/C=C\CCCCCNCCSCCC 269862a_100020603323_100016288537 [1,1,0,0,0,0|2,0,0]=4 7948 B15R0.70 CC/C=C\CCCCCOCCCCCC 34a_100016268722_100000210314 [1,1,0,0,0,0|1,0,0]=3 7949 B15R0.70 CC/C=C\CCCCCOCCCCCC 7a_100016268722_100000210314 [1,1,0,0,0,0|1,0,0]=3 7950 B15R0.70 CC/C=C\CCCCCOCCCCCF 34a_100016268722_100000729378 [1,1,0,0,0,0|2,0,0]=4 7951 B15R0.70 CC/C=C\CCCCCOCCCCCF 7a_100016268722_100000729378 [1,1,0,0,0,0|2,0,0]=4 7952 B15R0.70 CC/C=C\CCCCCOCCCCCO 34a_100016268722_100000746330 [1,1,0,0,0,0|2,0,0]=4 7953 B15R0.70 CC/C=C\CCCCCOCCCCCO 7a_100016268722_100000746330 [1,1,0,0,0,0|2,0,0]=4 7954 B15R0.70 CC/C=C\CCCCCOCCCCOC 34a_100016268722_100000755781 [1,1,0,0,0,0|2,0,0]=4 7955 B15R0.70 CC/C=C\CCCCCOCCCCOC 7a_100016268722_100000730899 [1,1,0,0,0,0|2,0,0]=4 7956 B15R0.70 CC/C=C\CCCCCOCCCOCC 34a_100016268722_100012232248 [1,1,0,0,0,0|2,0,0]=4 7957 B15R0.70 CC/C=C\CCCCCOCCCOCC 7a_100016268722_100012232248 [1,1,0,0,0,0|2,0,0]=4 7958 B15R0.70 CC/C=C\CCCCCOCCOCCC 34a_100016268722_100011215938 [1,1,0,0,0,0|2,0,0]=4 7959 B15R0.70 CC/C=C\CCCCCOCCOCCC 7a_100016268722_100011215938 [1,1,0,0,0,0|2,0,0]=4 7960 B15R0.70 CC/C=C\CCCCCOCOCCCC 34a_100016268722_100011995733 [1,1,0,0,0,0|2,0,0]=4 7961 B15R0.70 CC/C=C\CCCCOCCCCCCC 34a_100016287862_100000210614 [1,1,0,0,0,0|1,0,0]=3 7962 B15R0.70 CC/C=C\CCCCOCCCCCCC 7a_100016287862_100000210614 [1,1,0,0,0,0|1,0,0]=3 7963 B15R0.70 CC/C=C\CCCCOCCCCCCF 34a_100016287862_100015922095 [1,1,0,0,0,0|2,0,0]=4 7964 B15R0.70 CC/C=C\CCCCOCCCCCCF 7a_100016287862_100015922095 [1,1,0,0,0,0|2,0,0]=4 7965 B15R0.70 CC/C=C\CCCCOCCCCCCO 34a_100016287862_100000766143 [1,1,0,0,0,0|2,0,0]=4 7966 B15R0.70 CC/C=C\CCCCOCCCCCCO 7a_100016287862_100000766143 [1,1,0,0,0,0|2,0,0]=4 7967 B15R0.70 CC/C=C\CCCCOCCOCCCC 34a_100016287862_100000743108 [1,1,0,0,0,0|2,0,0]=4 7968 B15R0.70 CC/C=C\CCCCOCCOCCCC 7a_100016287862_100000743108 [1,1,0,0,0,0|2,0,0]=4 7969 B15R0.70 CC/C=C\CCNCCCCCCCCC 2230a_100000212291_100015370543 [1,1,0,0,0,0|1,0,0]=3 7970 B15R0.70 CC/C=C\CCNCCCCCCCCC 34a_100000212291_100015370543 [1,1,0,0,0,0|1,0,0]=3 7971 B15R0.70 CC/C=C\CCNCCCCCCCCO 2230a_102515433106_100015370543 [1,1,0,0,0,0|2,0,0]=4 7972 B15R0.70 CC/C=C\CCNCCCCCCCCO 34a_102515433106_100015370543 [1,1,0,0,0,0|2,0,0]=4 7973 B15R0.70 CC/C=C\CCOCCCCCCCCBr 34a_100009813846_100015370543 [1,1,0,0,0,0|2,0,0]=4 7974 B15R0.70 CC/C=C\CCOCCCCCCCCBr 7a_100009813846_100015370543 [1,1,0,0,0,0|2,0,0]=4 7975 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100000210712_100015370543 [1,1,0,0,0,0|1,0,0]=3 7976 B15R0.70 CC/C=C\CCOCCCCCCCCC 34a_100016288707_100011214924 [1,1,0,0,0,0|1,0,0]=3 7977 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100000210712_100015370543 [1,1,0,0,0,0|1,0,0]=3 7978 B15R0.70 CC/C=C\CCOCCCCCCCCC 7a_100016288707_100000210328 [1,1,0,0,0,0|1,0,0]=3 7979 B15R0.70 CC/C=C\CCOCCCCCCCCCl 34a_100000033203_100015370543 [1,1,0,0,0,0|2,0,0]=4 7980 B15R0.70 CC/C=C\CCOCCCCCCCCCl 7a_100000033203_100015370543 [1,1,0,0,0,0|2,0,0]=4 7981 B15R0.70 CC/C=C\CCOCCCCCCCCN 34a_102515433106_100015370543 [1,1,0,0,0,0|2,0,0]=4 7982 B15R0.70 CC/C=C\CCOCCCCCCCCO 34a_100016288707_100000033203 [1,1,0,0,0,0|2,0,0]=4 7983 B15R0.70 CC/C=C\CCOCCCCCCCCO 7a_100016288707_100000033203 [1,1,0,0,0,0|2,0,0]=4 7984 B15R0.70 CC/C=C\CCOCCCCNCCCC 34a_200011216965_100015370543 [1,1,0,0,0,0|2,0,0]=4 7985 B15R0.70 CC/C=C\CCOCCCCOCCCC 34a_200000760531_100015370543 [1,1,0,0,0,0|2,0,0]=4 7986 B15R0.70 CC/C=C\CCOCCCCOCCCC 7a_200000760531_100015370543 [1,1,0,0,0,0|2,0,0]=4 7987 B15R0.70 CC/C=C\CCOCCOCCCCCC 34a_100000691444_100015370543 [1,1,0,0,0,0|2,0,0]=4 7988 B15R0.70 CC/C=C\CCOCCOCCCCCC 7a_100000691444_100015370543 [1,1,0,0,0,0|2,0,0]=4 7989 B15R0.70 CC/C=C\CCSCCCCCCCCC 62a_100015370543_100000210670 [1,1,0,0,0,0|1,0,0]=3 7990 B15R0.70 CC/C=C\CCSCCCCCCCCO 62a_100000033203_100015370543 [1,1,0,0,0,0|2,0,0]=4 7991 B15R0.70 CC/C=C\CCSCCCCCCCCO 62a_100015370543_100000033203 [1,1,0,0,0,0|2,0,0]=4 7992 B15R0.70 CC/C=C\CNCCCCCCCCCC 2230a_100000684558_100103147603 [1,1,0,0,0,0|1,0,0]=3 7993 B15R0.70 CC/C=C\CNCCCCCCCCCC 34a_100000684558_100103147603 [1,1,0,0,0,0|1,0,0]=3 7994 B15R0.70 CC/C=C\CNCCCCCCCCCO 2230a_100000078944_100103147603 [1,1,0,0,0,0|2,0,0]=4 7995 B15R0.70 CC/C=C\CNCCCCCCCCCO 34a_100000078944_100103147603 [1,1,0,0,0,0|2,0,0]=4 7996 B15R0.70 CC/C=C\COCCCCCCCCCBr 34a_100009813782_100103147603 [1,1,0,0,0,0|2,0,0]=4 7997 B15R0.70 CC/C=C\COCCCCCCCCCBr 7a_100009813782_100103147603 [1,1,0,0,0,0|2,0,0]=4 7998 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100000210711_100103147603 [1,1,0,0,0,0|1,0,0]=3 7999 B15R0.70 CC/C=C\COCCCCCCCCCC 34a_100016268518_100000210320 [1,1,0,0,0,0|1,0,0]=3 8000 B15R0.70 CC/C=C\COCCCCCCCCCC 7a_100000210711_100103147603 [1,1,0,0,0,0|1,0,0]=3 8001 B15R0.70 CC/C=C\COCCCCCCCCCCl 34a_100009868337_100103147603 [1,1,0,0,0,0|2,0,0]=4 8002 B15R0.70 CC/C=C\COCCCCCCCCCCl 7a_100009868337_100103147603 [1,1,0,0,0,0|2,0,0]=4 8003 B15R0.70 CC/C=C\COCCCCCCCCCN 34a_100000078944_100103147603 [1,1,0,0,0,0|2,0,0]=4 8004 B15R0.70 CC/C=C\COCCCCCCCCCO 34a_100016268518_100009813782 [1,1,0,0,0,0|2,0,0]=4 8005 B15R0.70 CC/C=C\CSCCCCCCCCCC 62a_100103147603_100000210320 [1,1,0,0,0,0|1,0,0]=3 8006 B15R0.70 CC/C=C\CSCCCCCCCCCO 62a_100009813782_100103147603 [1,1,0,0,0,0|2,0,0]=4 8007 B15R0.70 CC/C=C\CSCCCCCCCCCO 62a_100103147603_100009813782 [1,1,0,0,0,0|2,0,0]=4 8008 B15R0.70 CC=C=CCCOCCCCCCCCC 34a_100011020354_100011214924 [1,1,0,0,0,0|1,0,1]=4 8009 B15R0.70 CCC#CCCCCCCCCOCCC 34a_200000031908_100000210303 [1,1,0,0,0,0|1,0,1]=4 8010 B15R0.70 CCC#CCCCCCCCCOCCC 7a_200000031908_100000210303 [1,1,0,0,0,0|1,0,1]=4 8011 B15R0.70 CCC#CCCCCCCNCCCCC 2230a_100000209983_200000036426 [1,1,0,0,0,0|1,0,1]=4 8012 B15R0.70 CCC#CCCCCCCOCCCCC 34a_100000210253_200000036426 [1,1,0,0,0,0|1,0,1]=4 8013 B15R0.70 CCC#CCCCCCCOCCCCC 7a_100000210253_200000036426 [1,1,0,0,0,0|1,0,1]=4 8014 B15R0.70 CCC#CCCCCCCSCCCCC 62a_100000210326_200000036426 [1,1,0,0,0,0|1,0,1]=4 8015 B15R0.70 CCC#CCCCCCCSCCCCC 62a_200000036426_100000210326 [1,1,0,0,0,0|1,0,1]=4 8016 B15R0.70 CCC#CCCOCCCCCCCCC 34a_100000036655_100011214924 [1,1,0,0,0,0|1,0,1]=4 8017 B15R0.70 CCC#CCCOCCCCCCCCC 7a_100000036655_100000210328 [1,1,0,0,0,0|1,0,1]=4 8018 B15R0.70 CCC#CCNCCCCCCCCCC 2230a_100000684558_100009813939 [1,1,0,0,0,0|1,0,1]=4 8019 B15R0.70 CCC#CCNCCCCCCCCCC 34a_100000684558_100009813939 [1,1,0,0,0,0|1,0,1]=4 8020 B15R0.70 CCC#CCOCCCCCCCCCC 34a_100000032950_100000210320 [1,1,0,0,0,0|1,0,1]=4 8021 B15R0.70 CCC#CCOCCCCCCCCCC 34a_100000210711_100009813939 [1,1,0,0,0,0|1,0,1]=4 8022 B15R0.70 CCC#CCOCCCCCCCCCC 7a_100000210711_100009813939 [1,1,0,0,0,0|1,0,1]=4 8023 B15R0.70 CCC#CCSCCCCCCCCCC 62a_100009813939_100000210320 [1,1,0,0,0,0|1,0,1]=4 8024 B15R0.70 CCC/C=C/COCCCCCCCCC 34a_100016278788_100011214924 [1,1,0,0,0,0|1,0,1]=4 8025 B15R0.70 CCC/C=C/COCCCCCCCCC 7a_100016278788_100000210328 [1,1,0,0,0,0|1,0,1]=4 8026 B15R0.70 CCCCCCCCCC/C=C/COCC 34a_200025761149_100000210202 [1,1,0,0,0,0|1,0,1]=4 8027 B15R0.70 CCCCCCCCCC/C=C/COCC 7a_200025761149_100000210202 [1,1,0,0,0,0|1,0,1]=4 8028 B15R0.70 CCCCCCCCCC=CC=NNCC 4a_100000756455_100016997280 [1,1,0,0,0,0|0,0,2]=4 8029 B15R0.70 CCCCCCCCCCC=NNCCC 4a_100000740057_100011218819 [1,1,0,0,0,0|1,0,1]=4 8030 B15R0.70 CCCCCCCCCCC=NNCCO 4a_100000210001_100011218819 [1,1,0,0,0,0|1,0,1]=4 8031 B15R0.70 CCCCCCCCCCCC=NNCC 4a_100000756455_100011218549 [1,1,0,0,0,0|0,0,0]=2 8032 B15R0.70 CCCCCCCCCCCCCCNC 2230a_100011217771_200000210301 [1,1,0,0,0,0|1,0,1]=4 8033 B15R0.70 CCCCCCCCCCCCCCNC 2230a_106832991635_100011215471 [1,1,0,0,0,0|1,0,1]=4 8034 B15R0.70 CCCCCCCCCCCCCCNC 270004a_106832991635_200011216147 [1,1,0,0,0,0|1,0,1]=4 8035 B15R0.70 CCCCCCCCCCCCCCNC 34a_100011217771_200000210301 [1,1,0,0,0,0|1,0,1]=4 8036 B15R0.70 CCCCCCCCCCCCCCNC 34a_100102657272_100011215471 [1,1,0,0,0,0|1,0,1]=4 8037 B15R0.70 CCCCCCCCCCCCCCNC 7a_106832991635_100011215471 [1,1,0,0,0,0|1,0,1]=4 8038 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 2230a_100011217771_200025704644 [1,1,0,0,0,0|1,0,1]=4 8039 B15R0.70 CCCCCCCCCCCCCCN[13CH3] 34a_100011217771_200025704644 [1,1,0,0,0,0|1,0,1]=4 8040 B15R0.70 CCCCCCCCCCCCCCOC 34a_100000210739_200000210301 [1,1,0,0,0,0|1,0,1]=4 8041 B15R0.70 CCCCCCCCCCCCCCOC 34a_100138415774_100011215471 [1,1,0,0,0,0|1,0,1]=4 8042 B15R0.70 CCCCCCCCCCCCCCOC 7a_100000210739_200000210301 [1,1,0,0,0,0|1,0,1]=4 8043 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 34a_100000210739_200025704644 [1,1,0,0,0,0|1,0,1]=4 8044 B15R0.70 CCCCCCCCCCCCCCO[13CH3] 7a_100000210739_200025704644 [1,1,0,0,0,0|1,0,1]=4 8045 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100011215765_100000210202 [1,1,0,0,0,0|0,0,1]=3 8046 B15R0.70 CCCCCCCCCCCCCNCC 2230a_100015525214_100000210684 [1,1,0,0,0,0|0,0,1]=3 8047 B15R0.70 CCCCCCCCCCCCCNCC 270004a_100015525214_200011215488 [1,1,0,0,0,0|0,0,1]=3 8048 B15R0.70 CCCCCCCCCCCCCNCC 34a_100011215765_100000210202 [1,1,0,0,0,0|0,0,1]=3 8049 B15R0.70 CCCCCCCCCCCCCNCF 34a_100011215765_100015361967 [1,1,0,0,0,0|1,0,1]=4 8050 B15R0.70 CCCCCCCCCCCCCOCC 34a_100000185773_100000210202 [1,1,0,0,0,0|1,0,1]=4 8051 B15R0.70 CCCCCCCCCCCCCOCC 34a_100121572206_100000210684 [1,1,0,0,0,0|1,0,1]=4 8052 B15R0.70 CCCCCCCCCCCCCOCC 7a_100000185773_100000210202 [1,1,0,0,0,0|1,0,1]=4 8053 B15R0.70 CCCCCCCCCCCCNCC#N 2230a_100000210451_100011215382 [1,1,0,0,0,0|0,0,2]=4 8054 B15R0.70 CCCCCCCCCCCCNCC=O 2230a_100000210451_200015260668 [1,1,0,0,0,0|0,0,2]=4 8055 B15R0.70 CCCCCCCCCCCCNCC=O 34a_100000210451_200009817547 [1,1,0,0,0,0|0,0,2]=4 8056 B15R0.70 CCCCCCCCCCCCNCCC 2230a_100000210451_100000210303 [1,1,0,0,0,0|0,0,1]=3 8057 B15R0.70 CCCCCCCCCCCCNCCC 270004a_100020643023_100011218549 [1,1,0,0,0,0|0,0,1]=3 8058 B15R0.70 CCCCCCCCCCCCNCCC 34a_100000210451_100000210303 [1,1,0,0,0,0|0,0,1]=3 8059 B15R0.70 CCCCCCCCCCCCNCCF 2230a_100000210451_100011217306 [1,1,0,0,0,0|0,0,1]=3 8060 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000210451_100011217306 [1,1,0,0,0,0|0,0,1]=3 8061 B15R0.70 CCCCCCCCCCCCNCCF 34a_100000724931_100000759014 [1,1,0,0,0,0|0,0,1]=3 8062 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100000210451_100000211926 [1,1,0,0,0,0|0,0,1]=3 8063 B15R0.70 CCCCCCCCCCCCNCCO 2230a_100016997473_100011215052 [1,1,0,0,0,0|0,0,1]=3 8064 B15R0.70 CCCCCCCCCCCCNCCO 270004a_100000210304_100011218549 [1,1,0,0,0,0|0,0,1]=3 8065 B15R0.70 CCCCCCCCCCCCNCCO 34a_100000210451_100000211926 [1,1,0,0,0,0|0,0,1]=3 8066 B15R0.70 CCCCCCCCCCCCNCCO 34a_100016990907_100000759014 [1,1,0,0,0,0|0,0,1]=3 8067 B15R0.70 CCCCCCCCCCCCNCOC 2230a_100000210451_100000766300 [1,1,0,0,0,0|0,0,1]=3 8068 B15R0.70 CCCCCCCCCCCCNCSC 2230a_100000210451_100011218213 [1,1,0,0,0,0|0,0,1]=3 8069 B15R0.70 CCCCCCCCCCCCNCSC 34a_100000210451_100011218213 [1,1,0,0,0,0|0,0,1]=3 8070 B15R0.70 CCCCCCCCCCCCOCCBr 34a_100000211926_100000759014 [1,1,0,0,0,0|1,0,1]=4 8071 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210258_100000759014 [1,1,0,0,0,0|1,0,1]=4 8072 B15R0.70 CCCCCCCCCCCCOCCC 34a_100000210810_100000210303 [1,1,0,0,0,0|1,0,1]=4 8073 B15R0.70 CCCCCCCCCCCCOCCC 7a_100000210810_100000210303 [1,1,0,0,0,0|1,0,1]=4 8074 B15R0.70 CCCCCCCCCCCCOCCF 34a_100000210810_100011217306 [1,1,0,0,0,0|1,0,1]=4 8075 B15R0.70 CCCCCCCCCCCCOCCF 7a_100000210810_100011217306 [1,1,0,0,0,0|1,0,1]=4 8076 B15R0.70 CCCCCCCCCCCCOCCN 34a_100000210304_100000759014 [1,1,0,0,0,0|1,0,1]=4 8077 B15R0.70 CCCCCCCCCCCCOCCO 34a_100000210810_100000211926 [1,1,0,0,0,0|1,0,1]=4 8078 B15R0.70 CCCCCCCCCCCCOCCO 7a_100000210810_100000211926 [1,1,0,0,0,0|1,0,1]=4 8079 B15R0.70 CCCCCCCCCCCCOCSC 34a_100000210810_100011218213 [1,1,0,0,0,0|1,0,1]=4 8080 B15R0.70 CCCCCCCCCCCCSCCF 62a_100011217306_100000759014 [1,1,0,0,0,0|1,0,1]=4 8081 B15R0.70 CCCCCCCCCCCCSCCO 62a_100000211926_100000759014 [1,1,0,0,0,0|1,0,1]=4 8082 B15R0.70 CCCCCCCCCCCCSCOC 62a_100000766300_100000759014 [1,1,0,0,0,0|1,0,1]=4 8083 B15R0.70 CCCCCCCCCCCCSCSC 62a_100011218213_100000759014 [1,1,0,0,0,0|1,0,1]=4 8084 B15R0.70 CCCCCCCCCCCNCCCC 2230a_100000102301_100011215454 [1,1,0,0,0,0|1,0,1]=4 8085 B15R0.70 CCCCCCCCCCCNCCCC 2230a_200011215754_100000210211 [1,1,0,0,0,0|1,0,1]=4 8086 B15R0.70 CCCCCCCCCCCNCCCC 34a_200011215754_100000210210 [1,1,0,0,0,0|1,0,1]=4 8087 B15R0.70 CCCCCCCCCCCNCCCC 7a_106832991798_100011215454 [1,1,0,0,0,0|1,0,1]=4 8088 B15R0.70 CCCCCCCCCCCNCCCF 2230a_100015189416_100011215454 [1,1,0,0,0,0|2,0,0]=4 8089 B15R0.70 CCCCCCCCCCCNCCCF 2230a_200011215754_100011934791 [1,1,0,0,0,0|2,0,0]=4 8090 B15R0.70 CCCCCCCCCCCNCCCF 34a_100015189416_100011215454 [1,1,0,0,0,0|2,0,0]=4 8091 B15R0.70 CCCCCCCCCCCNCCCF 34a_200011215754_100011934791 [1,1,0,0,0,0|2,0,0]=4 8092 B15R0.70 CCCCCCCCCCCNCCCO 2230a_200011215754_100000230001 [1,1,0,0,0,0|2,0,0]=4 8093 B15R0.70 CCCCCCCCCCCNCCCO 34a_200011215754_100000230001 [1,1,0,0,0,0|2,0,0]=4 8094 B15R0.70 CCCCCCCCCCCNCCOC 2230a_100000209980_100011215454 [1,1,0,0,0,0|2,0,0]=4 8095 B15R0.70 CCCCCCCCCCCNCCOC 2230a_200011215754_100011201679 [1,1,0,0,0,0|2,0,0]=4 8096 B15R0.70 CCCCCCCCCCCNCCOC 34a_200011215754_100011201679 [1,1,0,0,0,0|2,0,0]=4 8097 B15R0.70 CCCCCCCCCCCNCCSC 2230a_100020590264_100011215454 [1,1,0,0,0,0|2,0,0]=4 8098 B15R0.70 CCCCCCCCCCCNCCSC 2230a_200011215754_100000751147 [1,1,0,0,0,0|2,0,0]=4 8099 B15R0.70 CCCCCCCCCCCNCCSC 34a_200011215754_100000212216 [1,1,0,0,0,0|2,0,0]=4 8100 B15R0.70 CCCCCCCCCCCOCCCBr 34a_100011217188_100011215454 [1,1,0,0,0,0|2,0,0]=4 8101 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210227_100011215454 [1,1,0,0,0,0|1,0,1]=4 8102 B15R0.70 CCCCCCCCCCCOCCCC 34a_100000210809_100000210210 [1,1,0,0,0,0|1,0,1]=4 8103 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210227_100011215454 [1,1,0,0,0,0|1,0,1]=4 8104 B15R0.70 CCCCCCCCCCCOCCCC 7a_100000210809_100000210211 [1,1,0,0,0,0|1,0,1]=4 8105 B15R0.70 CCCCCCCCCCCOCCCCl 34a_100000230001_100011215454 [1,1,0,0,0,0|2,0,0]=4 8106 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000210809_100011934791 [1,1,0,0,0,0|2,0,0]=4 8107 B15R0.70 CCCCCCCCCCCOCCCF 34a_100000759539_100011215454 [1,1,0,0,0,0|2,0,0]=4 8108 B15R0.70 CCCCCCCCCCCOCCCF 7a_100000210809_100011934791 [1,1,0,0,0,0|2,0,0]=4 8109 B15R0.70 CCCCCCCCCCCOCCCN 34a_100000182051_100011215454 [1,1,0,0,0,0|2,0,0]=4 8110 B15R0.70 CCCCCCCCCCCOCCCO 34a_100000210809_100000230001 [1,1,0,0,0,0|2,0,0]=4 8111 B15R0.70 CCCCCCCCCCCOCCCO 7a_100000210809_100011215043 [1,1,0,0,0,0|2,0,0]=4 8112 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210237_100011215454 [1,1,0,0,0,0|2,0,0]=4 8113 B15R0.70 CCCCCCCCCCCOCCOC 34a_100000210809_100011201679 [1,1,0,0,0,0|2,0,0]=4 8114 B15R0.70 CCCCCCCCCCCOCCOC 34a_100010166600_200000210301 [1,1,0,0,0,0|2,0,0]=4 8115 B15R0.70 CCCCCCCCCCCOCCOC 7a_100000210809_100000233755 [1,1,0,0,0,0|2,0,0]=4 8116 B15R0.70 CCCCCCCCCCCOCCOC 7a_100010166600_200000210301 [1,1,0,0,0,0|2,0,0]=4 8117 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 34a_100010166600_200025704644 [1,1,0,0,0,0|2,0,0]=4 8118 B15R0.70 CCCCCCCCCCCOCCO[13CH3] 7a_100010166600_200025704644 [1,1,0,0,0,0|2,0,0]=4 8119 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000210809_100000212216 [1,1,0,0,0,0|2,0,0]=4 8120 B15R0.70 CCCCCCCCCCCOCCSC 34a_100000230434_100011215454 [1,1,0,0,0,0|2,0,0]=4 8121 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000210809_100000212216 [1,1,0,0,0,0|2,0,0]=4 8122 B15R0.70 CCCCCCCCCCCOCCSC 7a_100000230434_100011215454 [1,1,0,0,0,0|2,0,0]=4 8123 B15R0.70 CCCCCCCCCCCSCCCF 62a_100011934791_100011215454 [1,1,0,0,0,0|2,0,0]=4 8124 B15R0.70 CCCCCCCCCCCSCCCO 62a_100011215043_100011215454 [1,1,0,0,0,0|2,0,0]=4 8125 B15R0.70 CCCCCCCCCCCSCCOC 62a_100000233755_100011215454 [1,1,0,0,0,0|2,0,0]=4 8126 B15R0.70 CCCCCCCCCCCSCCSC 62a_100000212216_100011215454 [1,1,0,0,0,0|2,0,0]=4 8127 B15R0.70 CCCCCCCCCCCSCOCC 62a_100000739092_100011215454 [1,1,0,0,0,0|1,0,1]=4 8128 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000209983_100000210320 [1,1,0,0,0,0|1,0,1]=4 8129 B15R0.70 CCCCCCCCCCNCCCCC 2230a_100000684558_100000210326 [1,1,0,0,0,0|1,0,1]=4 8130 B15R0.70 CCCCCCCCCCNCCCCC 34a_100000684558_100000718602 [1,1,0,0,0,0|1,0,1]=4 8131 B15R0.70 CCCCCCCCCCNCCOCC 2230a_100000684558_100011215890 [1,1,0,0,0,0|1,0,1]=4 8132 B15R0.70 CCCCCCCCCCNCCOCC 2230a_102516460346_100000210320 [1,1,0,0,0,0|1,0,1]=4 8133 B15R0.70 CCCCCCCCCCNCCOCC 34a_100000684558_100000210147 [1,1,0,0,0,0|1,0,1]=4 8134 B15R0.70 CCCCCCCCCCNCCOCC 34a_102516460346_100000210320 [1,1,0,0,0,0|1,0,1]=4 8135 B15R0.70 CCCCCCCCCCNCCSCC 2230a_100000106463_100000210320 [1,1,0,0,0,0|1,0,1]=4 8136 B15R0.70 CCCCCCCCCCNCCSCC 2230a_100000684558_100000757381 [1,1,0,0,0,0|1,0,1]=4 8137 B15R0.70 CCCCCCCCCCNCCSCC 34a_100000684558_100000757381 [1,1,0,0,0,0|1,0,1]=4 8138 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210253_100000210320 [1,1,0,0,0,0|1,0,1]=4 8139 B15R0.70 CCCCCCCCCCOCCCCC 34a_100000210711_100000718602 [1,1,0,0,0,0|1,0,1]=4 8140 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210253_100000210320 [1,1,0,0,0,0|1,0,1]=4 8141 B15R0.70 CCCCCCCCCCOCCCCC 7a_100000210711_100000210326 [1,1,0,0,0,0|1,0,1]=4 8142 B15R0.70 CCCCCCCCCCOCCOCC 34a_100000210136_100000210320 [1,1,0,0,0,0|1,0,1]=4 8143 B15R0.70 CCCCCCCCCCOCCOCC 34a_100000210711_100000210147 [1,1,0,0,0,0|1,0,1]=4 8144 B15R0.70 CCCCCCCCCCOCCOCC 7a_100000210136_100000210320 [1,1,0,0,0,0|1,0,1]=4 8145 B15R0.70 CCCCCCCCCCOCCOCC 7a_100000210711_100011215890 [1,1,0,0,0,0|1,0,1]=4 8146 B15R0.70 CCCCCCCCCCOCCSCC 34a_100000210711_100000757381 [1,1,0,0,0,0|1,0,1]=4 8147 B15R0.70 CCCCCCCCCCOCCSCC 34a_100000212035_100000210320 [1,1,0,0,0,0|1,0,1]=4 8148 B15R0.70 CCCCCCCCCCOCCSCC 7a_100000210711_100000757381 [1,1,0,0,0,0|1,0,1]=4 8149 B15R0.70 CCCCCCCCCCOCCSCC 7a_100000212035_100000210320 [1,1,0,0,0,0|1,0,1]=4 8150 B15R0.70 CCCCCCCCCCSCCOCC 34a_100011628728_100000210202 [1,1,0,0,0,0|1,0,1]=4 8151 B15R0.70 CCCCCCCCCCSCCOCC 62a_100000210147_100000210320 [1,1,0,0,0,0|1,0,1]=4 8152 B15R0.70 CCCCCCCCCCSCCOCC 7a_100011628728_100000210202 [1,1,0,0,0,0|1,0,1]=4 8153 B15R0.70 CCCCCCCCCCSCCSCC 62a_100000757381_100000210320 [1,1,0,0,0,0|1,0,1]=4 8154 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000210581_100011214924 [1,1,0,0,0,0|1,0,1]=4 8155 B15R0.70 CCCCCCCCCNCCCCCC 2230a_100000212291_100000210314 [1,1,0,0,0,0|1,0,1]=4 8156 B15R0.70 CCCCCCCCCNCCCCCC 34a_100000212291_100000210314 [1,1,0,0,0,0|1,0,1]=4 8157 B15R0.70 CCCCCCCCCNCCCOCC 2230a_100000210961_100011214924 [1,1,0,0,0,0|1,0,1]=4 8158 B15R0.70 CCCCCCCCCNCCCOCC 2230a_100000212291_100012232248 [1,1,0,0,0,0|1,0,1]=4 8159 B15R0.70 CCCCCCCCCNCCCOCC 34a_100000210961_100011214924 [1,1,0,0,0,0|1,0,1]=4 8160 B15R0.70 CCCCCCCCCNCCCOCC 34a_100000212291_100012232248 [1,1,0,0,0,0|1,0,1]=4 8161 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100000212291_100011215938 [1,1,0,0,0,0|2,0,0]=4 8162 B15R0.70 CCCCCCCCCNCCOCCC 2230a_100161115042_100011214924 [1,1,0,0,0,0|2,0,0]=4 8163 B15R0.70 CCCCCCCCCNCCOCCC 34a_100000212291_100011215938 [1,1,0,0,0,0|2,0,0]=4 8164 B15R0.70 CCCCCCCCCNCCOCCC 34a_100161115042_100011214924 [1,1,0,0,0,0|2,0,0]=4 8165 B15R0.70 CCCCCCCCCNCCSCCC 2230a_100020603323_100011214924 [1,1,0,0,0,0|2,0,0]=4 8166 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210259_100011214924 [1,1,0,0,0,0|1,0,1]=4 8167 B15R0.70 CCCCCCCCCOCCCCCC 34a_100000210712_100000210314 [1,1,0,0,0,0|1,0,1]=4 8168 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210259_100000210328 [1,1,0,0,0,0|1,0,1]=4 8169 B15R0.70 CCCCCCCCCOCCCCCC 7a_100000210712_100000210314 [1,1,0,0,0,0|1,0,1]=4 8170 B15R0.70 CCCCCCCCCOCCCOCC 34a_100000210712_100012232248 [1,1,0,0,0,0|1,0,1]=4 8171 B15R0.70 CCCCCCCCCOCCCOCC 34a_100000757476_100011214924 [1,1,0,0,0,0|1,0,1]=4 8172 B15R0.70 CCCCCCCCCOCCCOCC 7a_100000210712_100012232248 [1,1,0,0,0,0|1,0,1]=4 8173 B15R0.70 CCCCCCCCCOCCCOCC 7a_100000757476_100000210328 [1,1,0,0,0,0|1,0,1]=4 8174 B15R0.70 CCCCCCCCCOCCCSCC 34a_100011216438_100011214924 [1,1,0,0,0,0|1,0,1]=4 8175 B15R0.70 CCCCCCCCCOCCCSCC 7a_100011216438_100000210328 [1,1,0,0,0,0|1,0,1]=4 8176 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000210712_100011215938 [1,1,0,0,0,0|2,0,0]=4 8177 B15R0.70 CCCCCCCCCOCCOCCC 34a_100000752267_100011214924 [1,1,0,0,0,0|2,0,0]=4 8178 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000210712_100011215938 [1,1,0,0,0,0|2,0,0]=4 8179 B15R0.70 CCCCCCCCCOCCOCCC 7a_100000752267_100000210328 [1,1,0,0,0,0|2,0,0]=4 8180 B15R0.70 CCCCCCCCCOCCSCCC 34a_200000230433_100011214924 [1,1,0,0,0,0|2,0,0]=4 8181 B15R0.70 CCCCCCCCCOCCSCCC 7a_200000230433_100000210328 [1,1,0,0,0,0|2,0,0]=4 8182 B15R0.70 CCCCCCCCCSCCCOCC 62a_100012232248_100000210670 [1,1,0,0,0,0|1,0,1]=4 8183 B15R0.70 CCCCCCCCCSCCOCCC 62a_100011215938_100000210670 [1,1,0,0,0,0|2,0,0]=4 8184 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229938_100000210759 [1,1,0,0,0,0|1,0,1]=4 8185 B15R0.70 CCCCCCCCNCCCCCCC 2230a_100000229939_100000210681 [1,1,0,0,0,0|1,0,1]=4 8186 B15R0.70 CCCCCCCCNCCCCCCC 34a_100000229939_100000210614 [1,1,0,0,0,0|1,0,1]=4 8187 B15R0.70 CCCCCCCCNCCCOCCC 2230a_100011217757_100000210759 [1,1,0,0,0,0|2,0,0]=4 8188 B15R0.70 CCCCCCCCNCCCOCCC 34a_100011217757_100000210759 [1,1,0,0,0,0|2,0,0]=4 8189 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210232_100000210614 [1,1,0,0,0,0|1,0,1]=4 8190 B15R0.70 CCCCCCCCOCCCCCCC 34a_100000210272_100000210759 [1,1,0,0,0,0|1,0,1]=4 8191 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210232_100000210614 [1,1,0,0,0,0|1,0,1]=4 8192 B15R0.70 CCCCCCCCOCCCCCCC 7a_100000210272_100000210759 [1,1,0,0,0,0|1,0,1]=4 8193 B15R0.70 CCCCCCOCCCCCNCCN 34a_103619048469_100000210314 [1,1,0,0,0,0|1,0,1]=4 8194 B15R0.70 CCCOCCCCCCCCCCCBr 34a_100009812471_100000210303 [1,1,0,0,0,0|2,0,0]=4 8195 B15R0.70 CCCOCCCCCCCCCCCBr 7a_100009812471_100000210303 [1,1,0,0,0,0|2,0,0]=4 8196 B15R0.70 CCCOCCCCCCCCCCCO 34a_100000210258_100009812471 [1,1,0,0,0,0|2,0,0]=4 8197 B15R0.70 CCCOCCCCCCCCCOCC 34a_100009875440_100000210303 [1,1,0,0,0,0|1,0,1]=4 8198 B15R0.70 CCCOCCCCCCCCCOCC 7a_100009875440_100000210303 [1,1,0,0,0,0|1,0,1]=4 8199 B15R0.70 CCCSCCCCCCCCCCCO 62a_100009812471_100000210303 [1,1,0,0,0,0|2,0,0]=4 8200 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100000066677_100000210202 [1,1,0,0,0,0|0,0,1]=3 8201 B15R0.70 CCNCCCCCCCCCCCCO 2230a_100015525214_100009813331 [1,1,0,0,0,0|0,0,1]=3 8202 B15R0.70 CCNCCCCCCCCCCCCO 34a_100000066677_100000210202 [1,1,0,0,0,0|0,0,1]=3 8203 B15R0.70 CCNCCCCCCOCCCCCO 2230a_100015525214_200132310570 [1,1,0,0,0,0|1,0,1]=4 8204 B15R0.70 CCOCCCCCCCCCCCCBr 34a_100009813331_100000210202 [1,1,0,0,0,0|1,0,1]=4 8205 B15R0.70 CCOCCCCCCCCCCCCBr 7a_100009813331_100000210202 [1,1,0,0,0,0|1,0,1]=4 8206 B15R0.70 CCOCCCCCCCCCCCCN 34a_100000066677_100000210202 [1,1,0,0,0,0|1,0,1]=4 8207 B15R0.70 CCOCCCCCCCCCCCCO 34a_100121572206_100009813331 [1,1,0,0,0,0|1,0,1]=4 8208 B15R0.70 CCSCCCCCCCCCCCCO 62a_100009813331_100000210202 [1,1,0,0,0,0|1,0,1]=4 8209 B15R0.70 OCCCCCCCCCCCCNCF 34a_100000066677_100015361967 [1,1,0,0,0,0|1,0,1]=4 8210 B15R0.70 OCCCCCCCCCCCNCCF 34a_100000724931_100009812471 [1,1,0,0,0,0|1,0,1]=4 8211 B15R0.70 OCCCCCCCCCCCNCCO 2230a_100016997473_100009812471 [1,1,0,0,0,0|1,0,1]=4 8212 B15R0.70 OCCCCCCCCCCCNCCO 34a_100016990907_100009812471 [1,1,0,0,0,0|1,0,1]=4 8213 B15R0.133 CC/C=C\CCOC(C)CCCCCCC 34a_100016288707_200011218727 [1,1,0,0,0,0|2,0,0]=4 8214 B15R0.133 CC/C=C\CCOC(C)CCCCCCC 34a_200011215852_100015370543 [1,1,0,0,0,0|2,0,0]=4 8215 B15R0.133 CC/C=C\CCOC(C)CCCCCCC 7a_100016288707_200011218727 [1,1,0,0,0,0|2,0,0]=4 8216 B15R0.133 CC/C=C\CCOC(C)CCCCCCC 7a_200011215852_100015370543 [1,1,0,0,0,0|2,0,0]=4 8217 B15R0.133 CC/C=C\CCSC(C)CCCCCCC 62a_100015370543_200011218727 [1,1,0,0,0,0|2,0,0]=4 8218 B15R0.133 CC/C=C\CCSC(C)CCCCCCC 62a_200011218727_100015370543 [1,1,0,0,0,0|2,0,0]=4 8219 B15R0.149 CC/C=C/CCCOC(C)CCCCCC 34a_100016287902_100011215978 [1,1,0,0,0,0|2,0,0]=4 8220 B15R0.149 CC/C=C/CCCOC(C)CCCCCC 7a_100016287902_100011215978 [1,1,0,0,0,0|2,0,0]=4 8221 B15R0.149 CC/C=C\CCC(=O)CCCCCCCC 1458a_100000210188_100015370543 [1,1,0,0,0,0|1,0,1]=4 8222 B15R0.149 CC/C=C\CCN(C)CCCCCCCC 2230a_100000207567_100015370543 [1,1,0,0,0,0|2,0,0]=4 8223 B15R0.149 CC/C=C\CCN(C)CCCCCCCC 269982a_100000207567_100015370543 [1,1,0,0,0,0|2,0,0]=4 8224 B15R0.149 CC/C=C\COC(C)CCCCCCCC 34a_100000210740_100103147603 [1,1,0,0,0,0|2,0,0]=4 8225 B15R0.149 CC/C=C\COC(C)CCCCCCCC 7a_100000210740_100103147603 [1,1,0,0,0,0|2,0,0]=4 8226 B15R0.149 CC/C=C\COCCC(C)CCCCCC 34a_200011024964_100103147603 [1,1,0,0,0,0|2,0,0]=4 8227 B15R0.149 CC/C=C\COCCC(C)CCCCCC 7a_200011024964_100103147603 [1,1,0,0,0,0|2,0,0]=4 8228 B15R0.164 CC(C)NCCCCCCCCCCCO 2230a_100138425928_100009812471 [1,1,0,0,0,0|1,0,1]=4 8229 B15R0.164 CC(C)NCCCCCCCCCCCO 34a_100138425928_100009812471 [1,1,0,0,0,0|1,0,1]=4 8230 B15R0.164 CC/C=C/CCCOCCCCCC(C)C 34a_100016287902_100000210682 [1,1,0,0,0,0|2,0,0]=4 8231 B15R0.164 CC/C=C/CCCOCCCCCC(C)C 7a_100016287902_100000210682 [1,1,0,0,0,0|2,0,0]=4 8232 B15R0.164 CC/C=C\CCCCCCCNCC(C)C 269862a_100000210953_200025770492 [1,1,0,0,0,0|2,0,0]=4 8233 B15R0.164 CC/C=C\CCCCCCCNCC(C)O 269862a_100000210904_200025770492 [1,1,0,0,0,0|2,0,0]=4 8234 B15R0.164 CC/C=C\CCCCCNCCCC(C)C 269862a_200000737386_100016288537 [1,1,0,0,0,0|2,0,0]=4 8235 B15R0.164 CC/C=C\CCCCCOCCCC(C)C 34a_100016268722_100011214892 [1,1,0,0,0,0|2,0,0]=4 8236 B15R0.164 CC/C=C\CCCCCOCCCC(C)C 7a_100016268722_100011214892 [1,1,0,0,0,0|2,0,0]=4 8237 B15R0.164 CC/C=C\CCCCCOCCCC(C)O 34a_100016268722_200000718107 [1,1,0,0,0,0|2,0,0]=4 8238 B15R0.164 CC/C=C\CCCCCOCCCC(C)O 7a_100016268722_200000718107 [1,1,0,0,0,0|2,0,0]=4 8239 B15R0.164 CC/C=C\CCCCOCCCCC(C)C 34a_100016287862_100011216152 [1,1,0,0,0,0|2,0,0]=4 8240 B15R0.164 CC/C=C\CCCCOCCCCC(C)C 7a_100016287862_100011216152 [1,1,0,0,0,0|2,0,0]=4 8241 B15R0.164 CC/C=C\CCNCCCCCCC(C)C 2230a_100000211014_100015370543 [1,1,0,0,0,0|2,0,0]=4 8242 B15R0.164 CC/C=C\CCNCCCCCCC(C)C 34a_100000211014_100015370543 [1,1,0,0,0,0|2,0,0]=4 8243 B15R0.164 CC/C=C\COCCCCCCCC(C)C 34a_200000210741_100103147603 [1,1,0,0,0,0|2,0,0]=4 8244 B15R0.164 CC/C=C\COCCCCCCCC(C)C 7a_200000210741_100103147603 [1,1,0,0,0,0|2,0,0]=4 8245 B15R0.164 CCCCCCCCCCC=NNC(C)C 4a_100000741168_100011218819 [1,1,0,0,0,0|1,0,1]=4 8246 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [1,1,0,0,0,0|0,0,2]=4 8247 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [1,1,0,0,0,0|0,0,2]=4 8248 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [1,1,0,0,0,0|0,0,2]=4 8249 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [1,1,0,0,0,0|0,0,2]=4 8250 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100000210451_100000210206 [1,1,0,0,0,0|0,0,1]=3 8251 B15R0.164 CCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215052 [1,1,0,0,0,0|0,0,1]=3 8252 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100000210451_100000210206 [1,1,0,0,0,0|0,0,1]=3 8253 B15R0.164 CCCCCCCCCCCCNC(C)C 34a_100138425928_100000759014 [1,1,0,0,0,0|0,0,1]=3 8254 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000210810_100000210206 [1,1,0,0,0,0|1,0,1]=4 8255 B15R0.164 CCCCCCCCCCCCOC(C)C 34a_100000212225_100000759014 [1,1,0,0,0,0|1,0,1]=4 8256 B15R0.164 CCCCCCCCCCCCOC(C)C 7a_100000210810_100000210206 [1,1,0,0,0,0|1,0,1]=4 8257 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215454 [1,1,0,0,0,0|2,0,0]=4 8258 B15R0.164 CCCCCCCCCCCNCC(C)C 2230a_200011215754_100000210760 [1,1,0,0,0,0|2,0,0]=4 8259 B15R0.164 CCCCCCCCCCCNCC(C)C 270004a_200011215754_100000210432 [1,1,0,0,0,0|2,0,0]=4 8260 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_100000210953_100011215454 [1,1,0,0,0,0|2,0,0]=4 8261 B15R0.164 CCCCCCCCCCCNCC(C)C 34a_200011215754_100000210624 [1,1,0,0,0,0|2,0,0]=4 8262 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [1,1,0,0,0,0|2,0,0]=4 8263 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [1,1,0,0,0,0|2,0,0]=4 8264 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [1,1,0,0,0,0|2,0,0]=4 8265 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [1,1,0,0,0,0|2,0,0]=4 8266 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [1,1,0,0,0,0|2,0,0]=4 8267 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [1,1,0,0,0,0|2,0,0]=4 8268 B15R0.164 CCCCCCCCCCCOCC(C)Br 34a_100012180447_100011215454 [1,1,0,0,0,0|2,0,0]=4 8269 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210257_100011215454 [1,1,0,0,0,0|2,0,0]=4 8270 B15R0.164 CCCCCCCCCCCOCC(C)C 34a_100000210809_100000210624 [1,1,0,0,0,0|2,0,0]=4 8271 B15R0.164 CCCCCCCCCCCOCC(C)C 7a_100000210809_100000210760 [1,1,0,0,0,0|2,0,0]=4 8272 B15R0.164 CCCCCCCCCCCOCC(C)F 34a_100015925927_100011215454 [1,1,0,0,0,0|2,0,0]=4 8273 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [1,1,0,0,0,0|2,0,0]=4 8274 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [1,1,0,0,0,0|2,0,0]=4 8275 B15R0.164 CCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215454 [1,1,0,0,0,0|2,0,0]=4 8276 B15R0.164 CCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011215454 [1,1,0,0,0,0|2,0,0]=4 8277 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [1,1,0,0,0,0|2,0,0]=4 8278 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [1,1,0,0,0,0|2,0,0]=4 8279 B15R0.164 CCCCCCCCCCCSCC(C)C 62a_100000210624_100011215454 [1,1,0,0,0,0|2,0,0]=4 8280 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [1,1,0,0,0,0|2,0,0]=4 8281 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [1,1,0,0,0,0|2,0,0]=4 8282 B15R0.164 CCCCCCCCCOCCNC(C)C 34a_100000224655_100011214924 [1,1,0,0,0,0|1,0,1]=4 8283 B15R0.164 CCCCCCCCOCCCNC(C)C 34a_100000182298_100000210759 [1,1,0,0,0,0|1,0,1]=4 8284 B15R0.164 CCCCCCCOCCCCNC(C)C 34a_100011521146_100000210614 [1,1,0,0,0,0|1,0,1]=4 8285 B15R0.164 CCCCCCOCCCCCNC(C)C 34a_100011629493_100000210314 [1,1,0,0,0,0|1,0,1]=4 8286 B15R0.322 CC/C=C/CC(=O)CCCCCCCCC 1458a_100016274230_100000210670 [1,1,0,0,0,0|1,0,1]=4 8287 B15R0.322 CC/C=C\CC(=O)CCCCCCCCC 1458a_100000210558_100103147603 [1,1,0,0,0,0|1,0,1]=4 8288 B15R0.322 CC/C=C\CCCCOC(C)CCCCC 34a_100016287862_200011218191 [1,1,0,0,0,0|2,0,0]=4 8289 B15R0.322 CC/C=C\CCCCOC(C)CCCCC 7a_100016287862_200011218191 [1,1,0,0,0,0|2,0,0]=4 8290 B15R0.322 CC/C=C\CN(C)CCCCCCCCC 2230a_100000232482_100103147603 [1,1,0,0,0,0|2,0,0]=4 8291 B15R0.322 CC/C=C\CN(C)CCCCCCCCC 269982a_100000232482_100103147603 [1,1,0,0,0,0|2,0,0]=4 8292 B15R0.322 CCCCCCCCCC(C)C=NNCC 4a_100000756455_200011218516 [1,1,0,0,0,0|1,0,1]=4 8293 B15R0.322 CCCCCCCCCC(C)CNCCC 270004a_100020643023_200011218516 [1,1,0,0,0,0|2,0,0]=4 8294 B15R0.2002 CC/C=C\CCCCCNC(C)CCCC 269862a_100000126638_100016288537 [1,1,0,0,0,0|2,0,0]=4 8295 B15R0.2002 CC/C=C\CCCCCOC(C)CCCC 34a_100016268722_200011215066 [1,1,0,0,0,0|2,0,0]=4 8296 B15R0.2002 CC/C=C\CCCCCOC(C)CCCC 7a_100016268722_200011215066 [1,1,0,0,0,0|2,0,0]=4 8297 B15R0.2002 CC/C=C\COCCCCC(C)CCCC 34a_200011021034_100103147603 [1,1,0,0,0,0|2,0,0]=4 8298 B15R0.2002 CC/C=C\COCCCCC(C)CCCC 7a_200011021034_100103147603 [1,1,0,0,0,0|2,0,0]=4 8299 B15R0.2002 CCC=CC(=O)CCCCCCCCCC 1458a_100000212282_100000210319 [1,1,0,0,0,0|1,0,1]=4 8300 B15R0.2002 CCCCCCCCCCC(=NNCC)C 4a_100000756455_200011219864 [1,1,0,0,0,0|1,0,1]=4 8301 B15R0.2002 CCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210375 [1,1,0,0,0,0|1,0,1]=4 8302 B15R0.2002 CCCCCCCCCCC(C)NCCC 270004a_100020643023_200011219864 [1,1,0,0,0,0|2,0,0]=4 8303 B15R0.2002 CCCCCCCCCCC(C)OCCC 34a_100011215000_100000210303 [1,1,0,0,0,0|2,0,0]=4 8304 B15R0.2002 CCCCCCCCCCC(C)OCCC 7a_100011215000_100000210303 [1,1,0,0,0,0|2,0,0]=4 8305 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210211 [1,1,0,0,0,0|1,0,1]=4 8306 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000210183_100000755133 [1,1,0,0,0,0|1,0,1]=4 8307 B15R0.1 CCCCC(C)COCCCC(=O)OCC 34a_100011995851_100009991533 [1,1,0,0,0,0|2,0,0]=4 8308 B15R0.1 CCCCC(C)COCCCC(=O)OCC 7a_100011995851_100011215271 [1,1,0,0,0,0|2,0,0]=4 8309 B15R0.1 CCCCC(C)NCCCCC(=O)OCC 2230a_100000126638_100000750268 [1,1,0,0,0,0|2,0,0]=4 8310 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 34a_100000687866_100000750268 [1,1,0,0,0,0|2,0,0]=4 8311 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 7a_100000687866_100000750268 [1,1,0,0,0,0|2,0,0]=4 8312 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_100000750268_200011215066 [1,1,0,0,0,0|2,0,0]=4 8313 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_200011215066_100000750268 [1,1,0,0,0,0|2,0,0]=4 8314 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 2230a_100000207549_100000755133 [1,1,0,0,0,0|2,0,0]=4 8315 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 269982a_100000207549_100000755133 [1,1,0,0,0,0|2,0,0]=4 8316 B15R0.1 CCCC[C@H](N)COCCCC(=O)OCC 34a_100011934283_100009991533 [1,1,0,0,0,0|2,0,0]=4 8317 B15R0.18 CCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210757 [1,1,0,0,0,0|0,0,1]=3 8318 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210757 [1,1,0,0,0,0|1,0,1]=4 8319 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100102632555_100011215271 [1,1,0,0,0,0|1,0,1]=4 8320 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100102632555 [1,1,0,0,0,0|1,0,1]=4 8321 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100102632555 [1,1,0,0,0,0|1,0,1]=4 8322 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100102632555 [1,1,0,0,0,0|1,0,1]=4 8323 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100102632555 [1,1,0,0,0,0|1,0,1]=4 8324 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 2230a_100000210919_100000737597 [1,1,0,0,0,0|1,0,0]=3 8325 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210826 [1,1,0,0,0,0|1,0,0]=3 8326 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 34a_100025743525_100011215978 [1,1,0,0,0,0|1,0,0]=3 8327 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 2230a_100000210919_100011206558 [1,1,0,0,0,0|2,0,0]=4 8328 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 34a_100000210919_100000765890 [1,1,0,0,0,0|2,0,0]=4 8329 B15R0.18 CCCCCCC(C)OCCC(=O)NCC 7a_100000210265_100000737597 [1,1,0,0,0,0|1,0,0]=3 8330 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 34a_100000210265_100000765890 [1,1,0,0,0,0|2,0,0]=4 8331 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 7a_100000210265_100011206558 [1,1,0,0,0,0|2,0,0]=4 8332 B15R0.18 CCCCCCC(C)SCCC(=O)NCC 62a_100000737597_100011215978 [1,1,0,0,0,0|1,0,0]=3 8333 B15R0.18 CCCCCCC(C)SCCC(=O)NCC 62a_100011215978_100000737597 [1,1,0,0,0,0|1,0,0]=3 8334 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100000765890_100011215978 [1,1,0,0,0,0|2,0,0]=4 8335 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100011215978_100000765890 [1,1,0,0,0,0|2,0,0]=4 8336 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 2230a_106256046315_100009991533 [1,1,0,0,0,0|2,0,0]=4 8337 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 269982a_106256046315_100009991533 [1,1,0,0,0,0|2,0,0]=4 8338 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 11a_100000209983_100000199580 [1,1,0,0,0,0|1,0,1]=4 8339 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 1626a_100000209983_100000199580 [1,1,0,0,0,0|1,0,1]=4 8340 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 240690a_100000209983_100000199580 [1,1,0,0,0,0|1,0,1]=4 8341 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 527a_100000209983_100000199580 [1,1,0,0,0,0|1,0,1]=4 8342 B15R0.18 CCCCOCC(=O)CCCC(=O)NCC 1458a_100000199580_100011995733 [1,1,0,0,0,0|1,0,1]=4 8343 B15R0.18 CCCCOCC(C)OCCC(=O)NCC 7a_100011217071_100000737597 [1,1,0,0,0,0|2,0,0]=4 8344 B15R0.18 CCCOCCC(=O)CCCC(=O)NCC 1458a_100000199580_100011215938 [1,1,0,0,0,0|1,0,1]=4 8345 B15R0.18 CCNC(=O)CCCC(=O)CCCCCF 1458a_100000199580_100000729378 [1,1,0,0,0,0|1,0,1]=4 8346 B15R0.18 CCNC(=O)CCCC(=O)CCCCCO 1458a_100000199580_100000746330 [1,1,0,0,0,0|1,0,1]=4 8347 B15R0.18 CCNC(=O)CCCC(=O)CCCCOC 1458a_100000199580_100000755781 [1,1,0,0,0,0|1,0,1]=4 8348 B15R0.18 CCNC(=O)CCCC(=O)CCCOCC 1458a_100000199580_100012232248 [1,1,0,0,0,0|1,0,1]=4 8349 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000029693 [1,1,0,0,0,0|0,0,2]=4 8350 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000029693 [1,1,0,0,0,0|0,0,2]=4 8351 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000029693 [1,1,0,0,0,0|0,0,2]=4 8352 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000029693 [1,1,0,0,0,0|0,0,2]=4 8353 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [1,1,0,0,0,0|1,0,1]=4 8354 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000211349 [1,1,0,0,0,0|0,0,2]=4 8355 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211349 [1,1,0,0,0,0|0,0,2]=4 8356 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211349 [1,1,0,0,0,0|0,0,2]=4 8357 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000211349 [1,1,0,0,0,0|0,0,2]=4 8358 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000066323 [1,1,0,0,0,0|0,0,2]=4 8359 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000066323 [1,1,0,0,0,0|0,0,2]=4 8360 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000066323 [1,1,0,0,0,0|0,0,2]=4 8361 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000066323 [1,1,0,0,0,0|0,0,2]=4 8362 B15R0.69 CC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000210624 [1,1,0,0,0,0|2,0,0]=4 8363 B15R0.69 CC(C)CC(=O)CCCCCCCCCO 1458a_100000210554_100009813782 [1,1,0,0,0,0|2,0,0]=4 8364 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 11a_100138425928_200009909015 [1,1,0,0,0,0|1,0,0]=3 8365 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 240690a_100138425928_200009909015 [1,1,0,0,0,0|1,0,0]=3 8366 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 527a_100138425928_200009909015 [1,1,0,0,0,0|1,0,0]=3 8367 B15R0.69 CC(C)NC(=O)CCCCCCCCCO 240690a_100138425928_100000032657 [1,1,0,0,0,0|1,0,0]=3 8368 B15R0.69 CC(C)NC(=O)CCNCCCCCCO 2230a_100000686447_100000737564 [1,1,0,0,0,0|2,0,0]=4 8369 B15R0.69 CC(C)NC(=O)CCOCCCCCCBr 7a_100011215345_100000737564 [1,1,0,0,0,0|2,0,0]=4 8370 B15R0.69 CC(C)NC(=O)CCOCCCCCCCl 7a_100000766143_100000737564 [1,1,0,0,0,0|2,0,0]=4 8371 B15R0.69 CC(C)NC(=O)CCOCCCCCCF 7a_100000732779_100000737564 [1,1,0,0,0,0|2,0,0]=4 8372 B15R0.69 CC(C)NC(=O)CCSCCCCCCF 62a_100000737564_100015922095 [1,1,0,0,0,0|2,0,0]=4 8373 B15R0.69 CC(C)NC(=O)CCSCCCCCCF 62a_100015922095_100000737564 [1,1,0,0,0,0|2,0,0]=4 8374 B15R0.69 CC(C)NC(=O)CCSCCCCCCO 62a_100000737564_100000766143 [1,1,0,0,0,0|2,0,0]=4 8375 B15R0.69 CC(C)NC(=O)CCSCCCCCCO 62a_100000766143_100000737564 [1,1,0,0,0,0|2,0,0]=4 8376 B15R0.69 CC(C)NC(=O)CNCCCCCCCO 2230a_100000168517_100000760002 [1,1,0,0,0,0|2,0,0]=4 8377 B15R0.69 CC(C)NC(=O)CNCCCCCCCO 2230a_100011996573_100000183996 [1,1,0,0,0,0|2,0,0]=4 8378 B15R0.69 CC(C)NC(=O)CNCCCCCCCO 34a_100011996573_100000183996 [1,1,0,0,0,0|2,0,0]=4 8379 B15R0.69 CC(C)NC(=O)COCCCCCCCBr 34a_100000760002_100000183996 [1,1,0,0,0,0|2,0,0]=4 8380 B15R0.69 CC(C)NC(=O)COCCCCCCCBr 7a_100000760002_100000183996 [1,1,0,0,0,0|2,0,0]=4 8381 B15R0.69 CC(C)NC(=O)COCCCCCCCN 34a_100011996573_100000183996 [1,1,0,0,0,0|2,0,0]=4 8382 B15R0.69 CC(C)NC(=O)CSCCCCCCCO 62a_100000183996_100000760002 [1,1,0,0,0,0|2,0,0]=4 8383 B15R0.69 CC(C)NC(=O)CSCCCCCCCO 62a_100000760002_100000183996 [1,1,0,0,0,0|2,0,0]=4 8384 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 2708a_100138425928_102515433106 [1,1,0,0,0,0|2,0,0]=4 8385 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 2708a_102515433106_100138425928 [1,1,0,0,0,0|2,0,0]=4 8386 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 273464a_100138425928_102515433106 [1,1,0,0,0,0|2,0,0]=4 8387 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 512a_100138425928_102515433106 [1,1,0,0,0,0|2,0,0]=4 8388 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 512a_102515433106_100138425928 [1,1,0,0,0,0|2,0,0]=4 8389 B15R0.69 CC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218427 [1,1,0,0,0,0|2,0,0]=4 8390 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_100015345288 [1,1,0,0,0,0|0,0,2]=4 8391 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_100015345288 [1,1,0,0,0,0|0,0,2]=4 8392 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_100015345288 [1,1,0,0,0,0|0,0,2]=4 8393 B15R0.69 CCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210319 [1,1,0,0,0,0|1,0,1]=4 8394 B15R0.69 CCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210319 [1,1,0,0,0,0|1,0,1]=4 8395 B15R0.69 CCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210319 [1,1,0,0,0,0|1,0,1]=4 8396 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210375_100000210624 [1,1,0,0,0,0|1,0,0]=3 8397 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210319 [1,1,0,0,0,0|1,0,0]=3 8398 B15R0.69 CCCCCCCCCCC(=O)CC(C)O 1458a_100000210375_100011218427 [1,1,0,0,0,0|1,0,0]=3 8399 B15R0.69 CCCCCCCCCCC(=O)CC(F)F 1458a_100000210375_100011934356 [1,1,0,0,0,0|2,0,0]=4 8400 B15R0.69 CCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210319 [1,1,0,0,0,0|2,0,0]=4 8401 B15R0.69 CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210319 [1,1,0,0,0,0|1,0,0]=3 8402 B15R0.69 CCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210319 [1,1,0,0,0,0|2,0,0]=4 8403 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210375 [1,1,0,0,0,0|0,0,0]=2 8404 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210375 [1,1,0,0,0,0|0,0,0]=2 8405 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210375 [1,1,0,0,0,0|0,0,0]=2 8406 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 11a_100000212291_100000210554 [1,1,0,0,0,0|2,0,0]=4 8407 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 1626a_100000212291_100000210554 [1,1,0,0,0,0|2,0,0]=4 8408 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 240690a_100000212291_100000210554 [1,1,0,0,0,0|2,0,0]=4 8409 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 527a_100000212291_100000210554 [1,1,0,0,0,0|2,0,0]=4 8410 B15R0.69 CCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000212291_100011933948 [1,1,0,0,0,0|2,0,0]=4 8411 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100000212291_100138425928 [1,1,0,0,0,0|1,0,0]=3 8412 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000212291 [1,1,0,0,0,0|1,0,0]=3 8413 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000212291 [1,1,0,0,0,0|1,0,0]=3 8414 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100000212291_100138425928 [1,1,0,0,0,0|1,0,0]=3 8415 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000212291 [1,1,0,0,0,0|1,0,0]=3 8416 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210759 [1,1,0,0,0,0|1,0,0]=3 8417 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000229939_100000183996 [1,1,0,0,0,0|1,0,0]=3 8418 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 34a_100000229939_100000183996 [1,1,0,0,0,0|1,0,0]=3 8419 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 2230a_100000229939_100011215430 [1,1,0,0,0,0|2,0,0]=4 8420 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 34a_100000229939_100011215430 [1,1,0,0,0,0|2,0,0]=4 8421 B15R0.69 CCCCCCCCOCC(=O)CC(C)C 1458a_100000759886_100000210624 [1,1,0,0,0,0|2,0,0]=4 8422 B15R0.69 CCCCCCCCOCC(=O)CC(C)O 1458a_100000759886_100011218427 [1,1,0,0,0,0|2,0,0]=4 8423 B15R0.69 CCCCCCCCOCC(=O)NC(=O)C 7a_100000210232_100000183797 [1,1,0,0,0,0|1,0,1]=4 8424 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 11a_100138425928_100000759886 [1,1,0,0,0,0|1,0,0]=3 8425 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 1626a_100138425928_100000759886 [1,1,0,0,0,0|1,0,0]=3 8426 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 240690a_100138425928_100000759886 [1,1,0,0,0,0|1,0,0]=3 8427 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 34a_100000210232_100000183996 [1,1,0,0,0,0|1,0,0]=3 8428 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 527a_100138425928_100000759886 [1,1,0,0,0,0|1,0,0]=3 8429 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 7a_100000210232_100000183996 [1,1,0,0,0,0|1,0,0]=3 8430 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 34a_100000210232_100011215430 [1,1,0,0,0,0|2,0,0]=4 8431 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 7a_100000210232_100011215430 [1,1,0,0,0,0|2,0,0]=4 8432 B15R0.69 CCCCCCCCSCC(=O)NC(=O)C 62a_100000210759_100000183797 [1,1,0,0,0,0|1,0,1]=4 8433 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210317 [1,1,0,0,0,0|1,0,0]=3 8434 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000210759_100000183996 [1,1,0,0,0,0|1,0,0]=3 8435 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100000210759_100011215430 [1,1,0,0,0,0|2,0,0]=4 8436 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210317 [1,1,0,0,0,0|2,0,0]=4 8437 B15R0.69 CCCCCCCNCCC(=O)NC(C)C 2230a_100000229938_100000737564 [1,1,0,0,0,0|1,0,0]=3 8438 B15R0.69 CCCCCCCNCCC(=O)OC(C)C 2230a_100000229938_100000760027 [1,1,0,0,0,0|2,0,0]=4 8439 B15R0.69 CCCCCCCOCCC(=O)NC(C)C 7a_100000210272_100000737564 [1,1,0,0,0,0|1,0,0]=3 8440 B15R0.69 CCCCCCCOCCC(=O)OC(C)C 7a_100000210272_100000760027 [1,1,0,0,0,0|2,0,0]=4 8441 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000210614_100000737564 [1,1,0,0,0,0|1,0,0]=3 8442 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210316 [1,1,0,0,0,0|1,0,0]=3 8443 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000210614_100000760027 [1,1,0,0,0,0|2,0,0]=4 8444 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210316 [1,1,0,0,0,0|2,0,0]=4 8445 B15R0.69 CCCCCNCCOCC(=O)NC(C)C 34a_100000224656_100000183996 [1,1,0,0,0,0|2,0,0]=4 8446 B15R0.69 CCCCCOCCOCC(=O)NC(C)C 34a_100011215259_100000183996 [1,1,0,0,0,0|2,0,0]=4 8447 B15R0.69 CCCCCOCCOCC(=O)NC(C)C 7a_100011215259_100000183996 [1,1,0,0,0,0|2,0,0]=4 8448 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 2230a_100000102301_200010986244 [1,1,0,0,0,0|2,0,0]=4 8449 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 7a_106832991798_200010986244 [1,1,0,0,0,0|2,0,0]=4 8450 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 34a_100000210227_200010986244 [1,1,0,0,0,0|2,0,0]=4 8451 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 7a_100000210227_200010986244 [1,1,0,0,0,0|2,0,0]=4 8452 B15R0.69 CCCCOCCCNCC(=O)NC(C)C 2230a_200000211371_100000183996 [1,1,0,0,0,0|2,0,0]=4 8453 B15R0.69 CCCCOCCCNCC(=O)NC(C)C 34a_200000211371_100000183996 [1,1,0,0,0,0|2,0,0]=4 8454 B15R0.69 CCCCOCCCOCC(=O)NC(C)C 34a_200011215613_100000183996 [1,1,0,0,0,0|2,0,0]=4 8455 B15R0.69 CCCCOCCCOCC(=O)NC(C)C 7a_200011215613_100000183996 [1,1,0,0,0,0|2,0,0]=4 8456 B15R0.69 CCCCOCCOCCC(=O)NC(C)C 7a_100000210238_100000737564 [1,1,0,0,0,0|2,0,0]=4 8457 B15R0.69 CCCCOCCSCCC(=O)NC(C)C 62a_100000737564_100000743108 [1,1,0,0,0,0|2,0,0]=4 8458 B15R0.69 CCCCOCCSCCC(=O)NC(C)C 62a_100000743108_100000737564 [1,1,0,0,0,0|2,0,0]=4 8459 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_100000210211_200010986244 [1,1,0,0,0,0|2,0,0]=4 8460 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210210 [1,1,0,0,0,0|2,0,0]=4 8461 B15R0.69 CCCCSCCNCCC(=O)NC(C)C 2230a_100025743550_100000737564 [1,1,0,0,0,0|2,0,0]=4 8462 B15R0.69 CCCCSCCOCCC(=O)NC(C)C 7a_200000230436_100000737564 [1,1,0,0,0,0|2,0,0]=4 8463 B15R0.69 CCCOCCCNCCC(=O)NC(C)C 2230a_100011217757_100000737564 [1,1,0,0,0,0|2,0,0]=4 8464 B15R0.69 COCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011998445 [1,1,0,0,0,0|2,0,0]=4 8465 B15R0.69 COCCCCCCOCC(=O)NC(C)C 34a_200012092642_100000183996 [1,1,0,0,0,0|2,0,0]=4 8466 B15R0.69 COCCCCCCOCC(=O)NC(C)C 7a_200012092642_100000183996 [1,1,0,0,0,0|2,0,0]=4 8467 B15R0.69 COCCCCCCSCC(=O)NC(C)C 62a_100000183996_100011998445 [1,1,0,0,0,0|2,0,0]=4 8468 B15R0.69 COCCCCCCSCC(=O)NC(C)C 62a_100011998445_100000183996 [1,1,0,0,0,0|2,0,0]=4 8469 B15R0.69 COCCCCCNCCC(=O)NC(C)C 2230a_100000747528_100000737564 [1,1,0,0,0,0|2,0,0]=4 8470 B15R0.69 C[C@@H](O)CC(=O)CCCCCCCCCO 1458a_100011933948_100009813782 [1,1,0,0,0,0|2,0,0]=4 8471 B15R0.111 CC(C)CCCCCCNCC(=O)NCO 2230a_100000211014_100000185155 [1,1,0,0,0,0|2,0,0]=4 8472 B15R0.111 CC(C)CCCCCCNCC(=O)NCO 34a_100000211014_100000185155 [1,1,0,0,0,0|2,0,0]=4 8473 B15R0.111 CCCC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000747444 [1,1,0,0,0,0|2,0,0]=4 8474 B15R0.111 CCNC(=O)CCNCCCCCC(C)C 2230a_100011290863_100000737597 [1,1,0,0,0,0|1,0,0]=3 8475 B15R0.111 CCNC(=O)CCNCCCCCC(C)C 34a_100025743525_100000210682 [1,1,0,0,0,0|1,0,0]=3 8476 B15R0.111 CCNC(=O)CCNCCCOCC(C)C 2230a_100000205972_100000737597 [1,1,0,0,0,0|2,0,0]=4 8477 B15R0.111 CCNC(=O)CCOCCCCCC(C)C 7a_100011995859_100000737597 [1,1,0,0,0,0|1,0,0]=3 8478 B15R0.111 CCNC(=O)CCSCCCCCC(C)C 62a_100000210682_100000737597 [1,1,0,0,0,0|1,0,0]=3 8479 B15R0.111 CCNC(=O)CCSCCCCCC(C)C 62a_100000737597_100000210682 [1,1,0,0,0,0|1,0,0]=3 8480 B15R0.111 CCNC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000183381 [1,1,0,0,0,0|1,0,0]=3 8481 B15R0.111 CCNC(=O)CNCCCCCCC(C)C 34a_100000211014_100000183381 [1,1,0,0,0,0|1,0,0]=3 8482 B15R0.111 CCNC(=O)COCCCCCNC(C)C 34a_100011629493_100000183381 [1,1,0,0,0,0|2,0,0]=4 8483 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [1,1,0,0,0,0|1,0,1]=4 8484 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [1,1,0,0,0,0|1,0,1]=4 8485 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [1,1,0,0,0,0|1,0,1]=4 8486 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010175975 [1,1,0,0,0,0|2,0,0]=4 8487 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010175975 [1,1,0,0,0,0|2,0,0]=4 8488 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 2230a_100138425928_100009991516 [1,1,0,0,0,0|2,0,0]=4 8489 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 34a_100138425928_100009991516 [1,1,0,0,0,0|2,0,0]=4 8490 B15R0.111 CCOC(=O)CCCCCCCOC(C)C 34a_100000212225_100009991516 [1,1,0,0,0,0|2,0,0]=4 8491 B15R0.111 CCOC(=O)CCCCCCCSC(C)C 62a_100000210206_100009991516 [1,1,0,0,0,0|2,0,0]=4 8492 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009814379 [1,1,0,0,0,0|2,0,0]=4 8493 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 34a_100000210953_100009814379 [1,1,0,0,0,0|2,0,0]=4 8494 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009814379 [1,1,0,0,0,0|2,0,0]=4 8495 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 34a_100000210904_100009814379 [1,1,0,0,0,0|2,0,0]=4 8496 B15R0.111 CCOC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009814379 [1,1,0,0,0,0|2,0,0]=4 8497 B15R0.111 CCOC(=O)CCCCCCOCC(C)C 34a_100000210257_100009814379 [1,1,0,0,0,0|2,0,0]=4 8498 B15R0.111 CCOC(=O)CCCCCCOCC(C)F 34a_100015925927_100009814379 [1,1,0,0,0,0|2,0,0]=4 8499 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009814379 [1,1,0,0,0,0|2,0,0]=4 8500 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009814379 [1,1,0,0,0,0|2,0,0]=4 8501 B15R0.111 CCOC(=O)CCCCCCSCC(C)C 62a_100000210624_100009814379 [1,1,0,0,0,0|2,0,0]=4 8502 B15R0.111 CCOC(=O)CCCCCCSCC(C)O 62a_100011218427_100009814379 [1,1,0,0,0,0|2,0,0]=4 8503 B15R0.111 CCOC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009814379 [1,1,0,0,0,0|2,0,0]=4 8504 B15R0.111 CCOC(=O)CCCCCNCCC(C)O 2230a_200000755665_100000755133 [1,1,0,0,0,0|2,0,0]=4 8505 B15R0.111 CCOC(=O)CCCCCOCCC(C)Br 34a_100009893172_100000755133 [1,1,0,0,0,0|2,0,0]=4 8506 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 34a_100000210254_100000755133 [1,1,0,0,0,0|2,0,0]=4 8507 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100000210254_100000755133 [1,1,0,0,0,0|2,0,0]=4 8508 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100011214988_100000210626 [1,1,0,0,0,0|2,0,0]=4 8509 B15R0.111 CCOC(=O)CCCCCOCCC(C)O 7a_100011214988_100012276601 [1,1,0,0,0,0|2,0,0]=4 8510 B15R0.111 CCOC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100000755133 [1,1,0,0,0,0|2,0,0]=4 8511 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000210312_100000755133 [1,1,0,0,0,0|2,0,0]=4 8512 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000755133_100000210312 [1,1,0,0,0,0|2,0,0]=4 8513 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100000755133_100012276601 [1,1,0,0,0,0|2,0,0]=4 8514 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100012276601_100000755133 [1,1,0,0,0,0|2,0,0]=4 8515 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000750268 [1,1,0,0,0,0|2,0,0]=4 8516 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 34a_200000737386_100000750268 [1,1,0,0,0,0|2,0,0]=4 8517 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 34a_100000210774_100000750268 [1,1,0,0,0,0|2,0,0]=4 8518 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 7a_100000210774_100000750268 [1,1,0,0,0,0|2,0,0]=4 8519 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100000750268_100011214892 [1,1,0,0,0,0|2,0,0]=4 8520 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100011214892_100000750268 [1,1,0,0,0,0|2,0,0]=4 8521 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_100000750268_200000718107 [1,1,0,0,0,0|2,0,0]=4 8522 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_200000718107_100000750268 [1,1,0,0,0,0|2,0,0]=4 8523 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 34a_100011214890_100009991533 [1,1,0,0,0,0|2,0,0]=4 8524 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215271 [1,1,0,0,0,0|2,0,0]=4 8525 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100012001163_100011216152 [1,1,0,0,0,0|2,0,0]=4 8526 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100009991533_100011216152 [1,1,0,0,0,0|2,0,0]=4 8527 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100011216152_100009991533 [1,1,0,0,0,0|2,0,0]=4 8528 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 2230a_100011290863_100011206558 [1,1,0,0,0,0|2,0,0]=4 8529 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 34a_100011290863_100000765890 [1,1,0,0,0,0|2,0,0]=4 8530 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 34a_100011995859_100000765890 [1,1,0,0,0,0|2,0,0]=4 8531 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 7a_100011995859_100011206558 [1,1,0,0,0,0|2,0,0]=4 8532 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000210682_100000765890 [1,1,0,0,0,0|2,0,0]=4 8533 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000765890_100000210682 [1,1,0,0,0,0|2,0,0]=4 8534 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000188475 [1,1,0,0,0,0|2,0,0]=4 8535 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000188475 [1,1,0,0,0,0|2,0,0]=4 8536 B15R0.136 CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210614 [1,1,0,0,0,0|0,0,1]=3 8537 B15R0.136 CCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210614 [1,1,0,0,0,0|1,0,1]=4 8538 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 11a_100015525214_100000691742 [1,1,0,0,0,0|1,0,1]=4 8539 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000211969 [1,1,0,0,0,0|1,0,1]=4 8540 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211969 [1,1,0,0,0,0|1,0,1]=4 8541 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 240690a_100015525214_100000691742 [1,1,0,0,0,0|1,0,1]=4 8542 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211969 [1,1,0,0,0,0|1,0,1]=4 8543 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 527a_100015525214_100000691742 [1,1,0,0,0,0|1,0,1]=4 8544 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000211969 [1,1,0,0,0,0|1,0,1]=4 8545 B15R0.136 CCCCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218727 [1,1,0,0,0,0|1,0,0]=3 8546 B15R0.136 CCCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210596 [1,1,0,0,0,0|1,0,0]=3 8547 B15R0.136 CCCCCCCC(C)OCC(=O)CCC 7a_200011215852_100000747444 [1,1,0,0,0,0|2,0,0]=4 8548 B15R0.136 CCCCCCCC(C)OCC(=O)NCC 34a_200011215852_100000183381 [1,1,0,0,0,0|1,0,0]=3 8549 B15R0.136 CCCCCCCC(C)OCC(=O)NCC 7a_200011215852_100000183381 [1,1,0,0,0,0|1,0,0]=3 8550 B15R0.136 CCCCCCCC(C)OCC(=O)NCO 34a_200011215852_100000185155 [1,1,0,0,0,0|2,0,0]=4 8551 B15R0.136 CCCCCCCC(C)OCC(=O)NCO 7a_200011215852_100000185155 [1,1,0,0,0,0|2,0,0]=4 8552 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 34a_200011215852_100000188475 [1,1,0,0,0,0|2,0,0]=4 8553 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 7a_200011215852_100000188475 [1,1,0,0,0,0|2,0,0]=4 8554 B15R0.136 CCCCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218727 [1,1,0,0,0,0|2,0,0]=4 8555 B15R0.136 CCCCCCCC(C)SCC(=O)CCC 62a_200011218727_100000747444 [1,1,0,0,0,0|2,0,0]=4 8556 B15R0.136 CCCCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218727 [1,1,0,0,0,0|1,0,0]=3 8557 B15R0.136 CCCCCCCC(C)SCC(=O)NCC 62a_200011218727_100000183381 [1,1,0,0,0,0|1,0,0]=3 8558 B15R0.136 CCCCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218727 [1,1,0,0,0,0|2,0,0]=4 8559 B15R0.136 CCCCCCCC(C)SCC(=O)NCO 62a_200011218727_100000185155 [1,1,0,0,0,0|2,0,0]=4 8560 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218727 [1,1,0,0,0,0|2,0,0]=4 8561 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_200011218727_100000188475 [1,1,0,0,0,0|2,0,0]=4 8562 B15R0.136 CCCCCCCN(C)CCC(=O)NCC 2230a_100000228206_100000737597 [1,1,0,0,0,0|1,0,0]=3 8563 B15R0.136 CCCCCCCN(C)CCC(=O)NCC 269982a_100000228206_100000737597 [1,1,0,0,0,0|1,0,0]=3 8564 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000228206_100011206558 [1,1,0,0,0,0|2,0,0]=4 8565 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210681 [1,1,0,0,0,0|2,0,0]=4 8566 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000228206_100011206558 [1,1,0,0,0,0|2,0,0]=4 8567 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210681 [1,1,0,0,0,0|2,0,0]=4 8568 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 11a_100000210581_100000199579 [1,1,0,0,0,0|1,0,1]=4 8569 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 1626a_100000210581_100000199579 [1,1,0,0,0,0|1,0,1]=4 8570 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 240690a_100000210581_100000199579 [1,1,0,0,0,0|1,0,1]=4 8571 B15R0.136 CCCCCCNC(C)CCC(=O)OCC 2230a_100000210581_100000748298 [1,1,0,0,0,0|2,0,0]=4 8572 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 34a_100000210259_100000748298 [1,1,0,0,0,0|2,0,0]=4 8573 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 7a_100000210259_100000748298 [1,1,0,0,0,0|2,0,0]=4 8574 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000210314_100000748298 [1,1,0,0,0,0|2,0,0]=4 8575 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210757 [1,1,0,0,0,0|2,0,0]=4 8576 B15R0.136 CCCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100000743108 [1,1,0,0,0,0|1,0,1]=4 8577 B15R0.136 CCNC(=O)CCC(=O)CCCCCCF 1458a_100000199579_100015922095 [1,1,0,0,0,0|1,0,1]=4 8578 B15R0.136 CCNC(=O)CCC(=O)CCCCCCO 1458a_100000199579_100000766143 [1,1,0,0,0,0|1,0,1]=4 8579 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100000212188_100000750268 [1,1,0,0,0,0|1,0,1]=4 8580 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210326 [1,1,0,0,0,0|1,0,1]=4 8581 B15R0.244 CCCCCC(=O)CNCCC(=O)NCC 34a_100025743525_200012276598 [1,1,0,0,0,0|1,0,1]=4 8582 B15R0.244 CCCCCC(=O)CSCCC(=O)NCC 62a_100000737597_200012276598 [1,1,0,0,0,0|1,0,1]=4 8583 B15R0.244 CCCCCC(=O)CSCCC(=O)NCC 62a_200012276598_100000737597 [1,1,0,0,0,0|1,0,1]=4 8584 B15R0.244 CCCCCC(C)NCCCC(=O)OCC 2230a_100000211957_100009991533 [1,1,0,0,0,0|2,0,0]=4 8585 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 34a_100011215632_100009991533 [1,1,0,0,0,0|2,0,0]=4 8586 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100011215632_100011215271 [1,1,0,0,0,0|2,0,0]=4 8587 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218191 [1,1,0,0,0,0|2,0,0]=4 8588 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218191 [1,1,0,0,0,0|2,0,0]=4 8589 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_200011218191_100009991533 [1,1,0,0,0,0|2,0,0]=4 8590 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 2230a_100000223495_100000750268 [1,1,0,0,0,0|2,0,0]=4 8591 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 269982a_100000223495_100000750268 [1,1,0,0,0,0|2,0,0]=4 8592 B15R0.370 CCCCCCCCC(=O)CC(=O)CCC 1458a_100000210188_100000747444 [1,1,0,0,0,0|1,0,1]=4 8593 B15R0.370 CCCCCCCCC(=O)CC(=O)NCC 1458a_100000210188_100000183381 [1,1,0,0,0,0|0,0,1]=3 8594 B15R0.370 CCCCCCCCC(=O)CC(=O)NCO 1458a_100000210188_100000185155 [1,1,0,0,0,0|1,0,1]=4 8595 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000210188_100000188475 [1,1,0,0,0,0|1,0,1]=4 8596 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210759 [1,1,0,0,0,0|1,0,1]=4 8597 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 2230a_100000207567_100000747444 [1,1,0,0,0,0|2,0,0]=4 8598 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 269982a_100000207567_100000747444 [1,1,0,0,0,0|2,0,0]=4 8599 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000207567_100000183381 [1,1,0,0,0,0|1,0,0]=3 8600 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210759 [1,1,0,0,0,0|1,0,0]=3 8601 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000207567_100000183381 [1,1,0,0,0,0|1,0,0]=3 8602 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210759 [1,1,0,0,0,0|1,0,0]=3 8603 B15R0.370 CCCCCCCCN(C)CC(=O)NCO 2230a_100000207567_100000185155 [1,1,0,0,0,0|2,0,0]=4 8604 B15R0.370 CCCCCCCCN(C)CC(=O)NCO 269982a_100000207567_100000185155 [1,1,0,0,0,0|2,0,0]=4 8605 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000207567_100000188475 [1,1,0,0,0,0|2,0,0]=4 8606 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210759 [1,1,0,0,0,0|2,0,0]=4 8607 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 269982a_100000207567_100000188475 [1,1,0,0,0,0|2,0,0]=4 8608 B15R0.370 CCCCCCCNC(C)CC(=O)OCC 2230a_100000229938_100009817359 [1,1,0,0,0,0|2,0,0]=4 8609 B15R0.370 CCCCCCCOC(C)CC(=O)OCC 7a_100000210272_100009817359 [1,1,0,0,0,0|2,0,0]=4 8610 B15R0.370 CCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210614 [1,1,0,0,0,0|2,0,0]=4 8611 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100000210614_100009817359 [1,1,0,0,0,0|2,0,0]=4 8612 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210316 [1,1,0,0,0,0|2,0,0]=4 8613 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210259_100000688340 [1,1,0,0,0,0|2,0,0]=4 8614 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210259_100000688340 [1,1,0,0,0,0|2,0,0]=4 8615 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210314_100000688340 [1,1,0,0,0,0|2,0,0]=4 8616 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210757 [1,1,0,0,0,0|2,0,0]=4 8617 B15R0.370 CCNC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000183381 [1,1,0,0,0,0|1,0,1]=4 8618 B15R0.370 CCNC(=O)CN(C)CCCCCCCO 2230a_100000741943_100000760002 [1,1,0,0,0,0|2,0,0]=4 8619 B15R0.370 CCNC(=O)CN(C)CCCCCCCO 269982a_100000741943_100000760002 [1,1,0,0,0,0|2,0,0]=4 8620 B15R0.370 CCNC(=O)CN(C)CCCCCCOC 2230a_100000741943_100011998445 [1,1,0,0,0,0|2,0,0]=4 8621 B15R0.370 CCNC(=O)CN(C)CCCCCCOC 269982a_100000741943_100011998445 [1,1,0,0,0,0|2,0,0]=4 8622 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210303 [1,1,0,0,0,0|1,0,1]=4 8623 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000211992_100009814379 [1,1,0,0,0,0|1,0,1]=4 8624 B15R0.408 CCCC(C)CCCOCCC(=O)NCC 7a_100011713154_100000737597 [1,1,0,0,0,0|1,0,0]=3 8625 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 34a_100011713154_100000765890 [1,1,0,0,0,0|2,0,0]=4 8626 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 7a_100011713154_100011206558 [1,1,0,0,0,0|2,0,0]=4 8627 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 34a_100011217855_100009991533 [1,1,0,0,0,0|2,0,0]=4 8628 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 7a_100011217855_100011215271 [1,1,0,0,0,0|2,0,0]=4 8629 B15R0.408 CCCC(C)COCCCCC(=O)OCC 34a_100000688023_100000750268 [1,1,0,0,0,0|2,0,0]=4 8630 B15R0.408 CCCC(C)COCCCCC(=O)OCC 7a_100000688023_100000750268 [1,1,0,0,0,0|2,0,0]=4 8631 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100000750268_100011216630 [1,1,0,0,0,0|2,0,0]=4 8632 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100011216630_100000750268 [1,1,0,0,0,0|2,0,0]=4 8633 B15R0.408 CCCC(C)NCCCCCC(=O)OCC 2230a_100000741246_100000755133 [1,1,0,0,0,0|2,0,0]=4 8634 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 34a_100000764384_100000755133 [1,1,0,0,0,0|2,0,0]=4 8635 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100000764384_100000755133 [1,1,0,0,0,0|2,0,0]=4 8636 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100011214988_100000766640 [1,1,0,0,0,0|2,0,0]=4 8637 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000755133_100000766640 [1,1,0,0,0,0|2,0,0]=4 8638 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000766640_100000755133 [1,1,0,0,0,0|2,0,0]=4 8639 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 2230a_100000747261_100009814379 [1,1,0,0,0,0|2,0,0]=4 8640 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 269982a_100000747261_100009814379 [1,1,0,0,0,0|2,0,0]=4 8641 B15R0.408 CCC[C@H](N)CCOCCCC(=O)OCC 34a_100015193777_100009991533 [1,1,0,0,0,0|2,0,0]=4 8642 B15R0.408 CCC[C@H](N)COCCCCC(=O)OCC 34a_100000732646_100000750268 [1,1,0,0,0,0|2,0,0]=4 8643 B15R0.408 CCNC(=O)CCCCCCC(=O)OCC 11a_100015525214_100000031895 [1,1,0,0,0,0|1,0,1]=4 8644 B15R0.408 CCNC(=O)CCCCCCC(=O)OCC 240690a_100015525214_100000031895 [1,1,0,0,0,0|1,0,1]=4 8645 B15R0.408 CCNC(=O)CCCCCCC(=O)OCC 527a_100015525214_100000031895 [1,1,0,0,0,0|1,0,1]=4 8646 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC 270084a_100015525214_200011217601 [1,1,0,0,0,0|1,0,0]=3 8647 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC 274078a_100015525214_200011217601 [1,1,0,0,0,0|1,0,0]=3 8648 B15R0.3222 CCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210670 [1,1,0,0,0,0|0,0,1]=3 8649 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 11a_100000232482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8650 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 1626a_100000232482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8651 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 240690a_100000232482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8652 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 527a_100000232482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8653 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000232482 [1,1,0,0,0,0|1,0,0]=3 8654 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000232482 [1,1,0,0,0,0|1,0,0]=3 8655 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 1626a_100000229939_200011297158 [1,1,0,0,0,0|1,0,1]=4 8656 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 240690a_100000229939_200011297158 [1,1,0,0,0,0|1,0,1]=4 8657 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 527a_100000229939_200011297158 [1,1,0,0,0,0|1,0,1]=4 8658 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000229939_100000230173 [1,1,0,0,0,0|1,0,0]=3 8659 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210759 [1,1,0,0,0,0|1,0,0]=3 8660 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000229939_100000230173 [1,1,0,0,0,0|1,0,0]=3 8661 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210759 [1,1,0,0,0,0|1,0,0]=3 8662 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 2230a_100000229939_100011215307 [1,1,0,0,0,0|2,0,0]=4 8663 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 34a_100000229939_100011216346 [1,1,0,0,0,0|2,0,0]=4 8664 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 2230a_100000229939_100000760018 [1,1,0,0,0,0|2,0,0]=4 8665 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 34a_100000229939_100000760018 [1,1,0,0,0,0|2,0,0]=4 8666 B15R0.3222 CCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210759 [1,1,0,0,0,0|2,0,0]=4 8667 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 34a_100000210232_100000230173 [1,1,0,0,0,0|1,0,0]=3 8668 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 7a_100000210232_100000230173 [1,1,0,0,0,0|1,0,0]=3 8669 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 34a_100000210232_100011216346 [1,1,0,0,0,0|2,0,0]=4 8670 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 7a_100000210232_100011216346 [1,1,0,0,0,0|2,0,0]=4 8671 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 34a_100000210232_100000760018 [1,1,0,0,0,0|2,0,0]=4 8672 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 7a_100000210232_100000040065 [1,1,0,0,0,0|2,0,0]=4 8673 B15R0.3222 CCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210759 [1,1,0,0,0,0|2,0,0]=4 8674 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000210759_100000230173 [1,1,0,0,0,0|1,0,0]=3 8675 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210317 [1,1,0,0,0,0|1,0,0]=3 8676 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100000210759_100011216346 [1,1,0,0,0,0|2,0,0]=4 8677 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210317 [1,1,0,0,0,0|2,0,0]=4 8678 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000210759_100000760018 [1,1,0,0,0,0|2,0,0]=4 8679 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210317 [1,1,0,0,0,0|2,0,0]=4 8680 B15R0.3222 CCCCCNCCOC(C)C(=O)NCC 34a_100000224656_100000230173 [1,1,0,0,0,0|2,0,0]=4 8681 B15R0.3222 CCCCCOCCOC(C)C(=O)NCC 34a_100011215259_100000230173 [1,1,0,0,0,0|2,0,0]=4 8682 B15R0.3222 CCCCCOCCOC(C)C(=O)NCC 7a_100011215259_100000230173 [1,1,0,0,0,0|2,0,0]=4 8683 B15R0.3222 CCCCOCCCNC(C)C(=O)NCC 2230a_200000211371_100000230173 [1,1,0,0,0,0|2,0,0]=4 8684 B15R0.3222 CCCCOCCCNC(C)C(=O)NCC 34a_200000211371_100000230173 [1,1,0,0,0,0|2,0,0]=4 8685 B15R0.3222 CCCCOCCCOC(C)C(=O)NCC 34a_200011215613_100000230173 [1,1,0,0,0,0|2,0,0]=4 8686 B15R0.3222 CCCCOCCCOC(C)C(=O)NCC 7a_200011215613_100000230173 [1,1,0,0,0,0|2,0,0]=4 8687 B15R0.3222 CCNC(=O)C(=O)CCCCCCCCO 1458a_200011297158_100000033203 [1,1,0,0,0,0|1,0,1]=4 8688 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 2230a_100000736553_100000760002 [1,1,0,0,0,0|2,0,0]=4 8689 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 2230a_100011996573_100000230173 [1,1,0,0,0,0|2,0,0]=4 8690 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 34a_100000736553_100000760002 [1,1,0,0,0,0|2,0,0]=4 8691 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 34a_100011996573_100000230173 [1,1,0,0,0,0|2,0,0]=4 8692 B15R0.3222 CCNC(=O)C(C)NCCCCCCOC 2230a_100000736553_100011998445 [1,1,0,0,0,0|2,0,0]=4 8693 B15R0.3222 CCNC(=O)C(C)NCCCCCCOC 34a_100000736553_100011998445 [1,1,0,0,0,0|2,0,0]=4 8694 B15R0.3222 CCNC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000230173 [1,1,0,0,0,0|2,0,0]=4 8695 B15R0.3222 CCNC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000230173 [1,1,0,0,0,0|2,0,0]=4 8696 B15R0.3222 CCNC(=O)C(C)OCCCCCCCN 34a_100011996573_100000230173 [1,1,0,0,0,0|2,0,0]=4 8697 B15R0.3222 CCNC(=O)C(C)OCCCCCCOC 34a_200012092642_100000230173 [1,1,0,0,0,0|2,0,0]=4 8698 B15R0.3222 CCNC(=O)C(C)OCCCCCCOC 7a_200012092642_100000230173 [1,1,0,0,0,0|2,0,0]=4 8699 B15R0.3222 CCNC(=O)C(C)SCCCCCCCO 62a_100000230173_100000760002 [1,1,0,0,0,0|2,0,0]=4 8700 B15R0.3222 CCNC(=O)C(C)SCCCCCCCO 62a_100000760002_100000230173 [1,1,0,0,0,0|2,0,0]=4 8701 B15R0.3222 CCNC(=O)C(C)SCCCCCCOC 62a_100000230173_100011998445 [1,1,0,0,0,0|2,0,0]=4 8702 B15R0.3222 CCNC(=O)C(C)SCCCCCCOC 62a_100011998445_100000230173 [1,1,0,0,0,0|2,0,0]=4 8703 B17R0.67 CCCC(C)COCCCCCC(=O)OC(C)C 34a_100000688023_200010986244 [0,2,0,0,0,0|2,0,0]=4 8704 B17R0.67 CCCC(C)COCCCCCC(=O)OC(C)C 7a_100000688023_200010986244 [0,2,0,0,0,0|2,0,0]=4 8705 B17R0.67 CCCC(C)CSCCCCCC(=O)OC(C)C 62a_100011216630_200010986244 [0,2,0,0,0,0|2,0,0]=4 8706 B17R0.67 CCCC(C)CSCCCCCC(=O)OC(C)C 62a_200010986244_100011216630 [0,2,0,0,0,0|2,0,0]=4 8707 B17R0.67 CCC[C@H](N)COCCCCCC(=O)OC(C)C 34a_100000732646_200010986244 [0,2,0,0,0,0|2,0,0]=4 8708 B17R0.67 CCOC(=O)CCCCCCCC(=O)CC(C)C 1458a_100000210554_100009991516 [0,2,0,0,0,0|1,0,1]=4 8709 B17R0.67 CCOC(=O)CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100009991516 [0,2,0,0,0,0|1,0,1]=4 8710 B17R0.67 CCOC(=O)CCCCCCCN(C)CC(C)C 2230a_100000747067_100009991516 [0,2,0,0,0,0|2,0,0]=4 8711 B17R0.67 CCOC(=O)CCCCCCCN(C)CC(C)C 269982a_100000747067_100009991516 [0,2,0,0,0,0|2,0,0]=4 8712 B17R0.67 CCOC(=O)CCCCCCCN(C)CC(C)O 2230a_100000227577_100009991516 [0,2,0,0,0,0|2,0,0]=4 8713 B17R0.67 CCOC(=O)CCCCCCCN(C)CC(C)O 269982a_100000227577_100009991516 [0,2,0,0,0,0|2,0,0]=4 8714 B17R0.67 CCOC(=O)CCCCCCNC(C)CC(C)C 2230a_100000692259_100009814379 [0,2,0,0,0,0|2,0,0]=4 8715 B17R0.67 CCOC(=O)CCCCCCOC(C)CC(C)C 34a_100000211805_100009814379 [0,2,0,0,0,0|2,0,0]=4 8716 B17R0.67 CCOC(=O)CCCCCCOC(C)CC(C)C 7a_100000211805_100009814379 [0,2,0,0,0,0|2,0,0]=4 8717 B17R0.67 CCOC(=O)CCCCCCSC(C)CC(C)C 62a_100000731052_100009814379 [0,2,0,0,0,0|2,0,0]=4 8718 B17R0.67 CCOC(=O)CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000755133 [0,2,0,0,0,0|2,0,0]=4 8719 B17R0.67 CCOC(=O)CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000750268 [0,2,0,0,0,0|2,0,0]=4 8720 B17R0.170 C=CCNC(=O)CCNCCCCCCC(C)C 2230a_100000211014_100011222895 [0,2,0,0,0,0|1,0,1]=4 8721 B17R0.170 C=CCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183597 [0,2,0,0,0,0|1,0,1]=4 8722 B17R0.170 CC(C)CCCCCCCOCC(=O)NCC#N 7a_200000210741_100000736037 [0,2,0,0,0,0|1,0,1]=4 8723 B17R0.170 CCCNC(=O)CCCNCCCCCC(C)C 2230a_100011290863_100011194427 [0,2,0,0,0,0|1,0,0]=3 8724 B17R0.170 CCCNC(=O)CCCNCCCOCC(C)C 2230a_100000205972_100011194427 [0,2,0,0,0,0|2,0,0]=4 8725 B17R0.170 CCCNC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011194427 [0,2,0,0,0,0|1,0,0]=3 8726 B17R0.170 CCCNC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011194427 [0,2,0,0,0,0|1,0,0]=3 8727 B17R0.170 CCCNC(=O)CCCSCCCCCC(C)C 62a_100011194427_100000210682 [0,2,0,0,0,0|1,0,0]=3 8728 B17R0.170 CCCNC(=O)COCCCCCCCC(C)C 34a_200000210741_100000183358 [0,2,0,0,0,0|1,0,0]=3 8729 B17R0.170 CCCNC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183358 [0,2,0,0,0,0|1,0,0]=3 8730 B17R0.170 CCCOC(=O)COCCCCCCCC(C)C 34a_200000210741_200011215008 [0,2,0,0,0,0|2,0,0]=4 8731 B17R0.170 CCCOC(=O)COCCCCCCCC(C)C 7a_200000210741_200011215008 [0,2,0,0,0,0|2,0,0]=4 8732 B17R0.177 CC(=O)NC(=O)COCCCCCCCC(C)C 7a_200000210741_100000183797 [0,2,0,0,0,0|1,0,1]=4 8733 B17R0.177 CC(C)CCCCCCCOCC(=O)NC(C)C 34a_200000210741_100000183996 [0,2,0,0,0,0|1,0,0]=3 8734 B17R0.177 CC(C)CCCCCCCOCC(=O)NC(C)C 7a_200000210741_100000183996 [0,2,0,0,0,0|1,0,0]=3 8735 B17R0.177 CC(C)CCCCCCCOCC(=O)OC(C)C 34a_200000210741_100011215430 [0,2,0,0,0,0|2,0,0]=4 8736 B17R0.177 CC(C)CCCCCCCOCC(=O)OC(C)C 7a_200000210741_100011215430 [0,2,0,0,0,0|2,0,0]=4 8737 B17R0.177 CC(C)CCCCCCNCCC(=O)NC(C)C 2230a_100000211014_100000737564 [0,2,0,0,0,0|1,0,0]=3 8738 B17R0.177 CC(C)CCCCCCNCCC(=O)OC(C)C 2230a_100000211014_100000760027 [0,2,0,0,0,0|2,0,0]=4 8739 B17R0.177 CC(C)CCCNCCCCCC(=O)OC(C)C 2230a_200000737386_200010986244 [0,2,0,0,0,0|2,0,0]=4 8740 B17R0.177 CC(C)CCCNCCCCCC(=O)OC(C)C 34a_200000737386_200010986244 [0,2,0,0,0,0|2,0,0]=4 8741 B17R0.177 CC(C)CCCOCCCCCC(=O)OC(C)C 34a_100000210774_200010986244 [0,2,0,0,0,0|2,0,0]=4 8742 B17R0.177 CC(C)CCCOCCCCCC(=O)OC(C)C 7a_100000210774_200010986244 [0,2,0,0,0,0|2,0,0]=4 8743 B17R0.177 CC(C)CCCSCCCCCC(=O)OC(C)C 62a_100011214892_200010986244 [0,2,0,0,0,0|2,0,0]=4 8744 B17R0.177 CC(C)CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100011214892 [0,2,0,0,0,0|2,0,0]=4 8745 B17R0.177 CC(O)CCCSCCCCCC(=O)OC(C)C 62a_200000718107_200010986244 [0,2,0,0,0,0|2,0,0]=4 8746 B17R0.177 CC(O)CCCSCCCCCC(=O)OC(C)C 62a_200010986244_200000718107 [0,2,0,0,0,0|2,0,0]=4 8747 B17R0.224 CCNC(=O)C(C)OCCCCCCCC(C)C 34a_200000210741_100000230173 [0,2,0,0,0,0|1,0,0]=3 8748 B17R0.224 CCNC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100000230173 [0,2,0,0,0,0|1,0,0]=3 8749 B17R0.224 CCOC(=O)C(C)OCCCCCCCC(C)C 34a_200000210741_100011216346 [0,2,0,0,0,0|2,0,0]=4 8750 B17R0.224 CCOC(=O)C(C)OCCCCCCCC(C)C 7a_200000210741_100011216346 [0,2,0,0,0,0|2,0,0]=4 8751 B17R0.224 CCOC(=O)C(F)OCCCCCCCC(C)C 34a_200000210741_100000760018 [0,2,0,0,0,0|2,0,0]=4 8752 B17R0.224 CCOC(=O)C(F)OCCCCCCCC(C)C 7a_200000210741_100000040065 [0,2,0,0,0,0|2,0,0]=4 8753 B17R0.255 CCNC(=O)CCNCCC(C)CCCC(C)C 2230a_102516457229_100000737597 [0,2,0,0,0,0|1,0,0]=3 8754 B17R0.255 CCNC(=O)CCNCCC(C)CCCC(C)C 34a_100025743525_100009816328 [0,2,0,0,0,0|1,0,0]=3 8755 B17R0.255 CCNC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100000737597 [0,2,0,0,0,0|1,0,0]=3 8756 B17R0.255 CCNC(=O)CCSCCC(C)CCCC(C)C 62a_100000737597_100009816328 [0,2,0,0,0,0|1,0,0]=3 8757 B17R0.255 CCNC(=O)CCSCCC(C)CCCC(C)C 62a_100009816328_100000737597 [0,2,0,0,0,0|1,0,0]=3 8758 B17R0.255 CCOC(=O)CCCCCC(=O)CCCC(C)C 1458a_100000037472_100011214892 [0,2,0,0,0,0|1,0,1]=4 8759 B17R0.255 CCOC(=O)CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000755133 [0,2,0,0,0,0|1,0,1]=4 8760 B17R0.255 CCOC(=O)CCCCCC(=O)CCCC(C)O 1458a_100000037472_200000718107 [0,2,0,0,0,0|1,0,1]=4 8761 B17R0.255 CCOC(=O)CCCCNC(C)CCCC(C)C 2230a_100000210607_100000750268 [0,2,0,0,0,0|2,0,0]=4 8762 B17R0.255 CCOC(=O)CCCCOC(C)CCCC(C)C 34a_200011218570_100000750268 [0,2,0,0,0,0|2,0,0]=4 8763 B17R0.255 CCOC(=O)CCCCOC(C)CCCC(C)C 7a_200011218570_100000750268 [0,2,0,0,0,0|2,0,0]=4 8764 B17R0.255 CCOC(=O)CCNCCC(C)CCCC(C)C 2230a_102516457229_100011206558 [0,2,0,0,0,0|2,0,0]=4 8765 B17R0.255 CCOC(=O)CCOCCC(C)CCCC(C)C 34a_100000015991_100000765890 [0,2,0,0,0,0|2,0,0]=4 8766 B17R0.255 CCOC(=O)CCOCCC(C)CCCC(C)C 7a_100000015991_100011206558 [0,2,0,0,0,0|2,0,0]=4 8767 B17R0.255 CCOC(=O)CCSCCC(C)CCCC(C)C 62a_100000765890_100009816328 [0,2,0,0,0,0|2,0,0]=4 8768 B17R0.255 CCOC(=O)CCSCCC(C)CCCC(C)C 62a_100009816328_100000765890 [0,2,0,0,0,0|2,0,0]=4 8769 B17R0.267 CCOC(=O)CC(C)NCCCCCCC(C)C 2230a_100000211014_100009817359 [0,2,0,0,0,0|2,0,0]=4 8770 B17R0.267 CCOC(=O)C[C@H](O)CNCCCCCC(C)C 34a_100011290863_100000688340 [0,2,0,0,0,0|2,0,0]=4 8771 B17R0.267 CCOC(=O)C[C@H](O)COCCCCCC(C)C 34a_100011995859_100000688340 [0,2,0,0,0,0|2,0,0]=4 8772 B17R0.267 CCOC(=O)C[C@H](O)COCCCCCC(C)C 7a_100011995859_100000688340 [0,2,0,0,0,0|2,0,0]=4 8773 B17R0.267 CCOC(=O)C[C@H](O)CSCCCCCC(C)C 62a_100000210682_100000688340 [0,2,0,0,0,0|2,0,0]=4 8774 B17R0.267 CCOC(=O)C[C@H](O)CSCCCCCC(C)C 62a_100000688340_100000210682 [0,2,0,0,0,0|2,0,0]=4 8775 B17R0.340 CCNC(=O)CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000199579 [0,2,0,0,0,0|1,0,1]=4 8776 B17R0.340 CCNC(=O)CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000199579 [0,2,0,0,0,0|1,0,1]=4 8777 B17R0.340 CCNC(=O)CNC(=O)CCCCCCC(C)C 11a_100016988866_100000040743 [0,2,0,0,0,0|1,0,1]=4 8778 B17R0.340 CCNC(=O)CNC(=O)CCCCCCC(C)C 1626a_100016988866_100000040743 [0,2,0,0,0,0|1,0,1]=4 8779 B17R0.340 CCNC(=O)CNC(=O)CCCCCCC(C)C 240690a_100016988866_100000040743 [0,2,0,0,0,0|1,0,1]=4 8780 B17R0.340 CCNC(=O)CNC(=O)CCCCCCC(C)C 527a_100016988866_100000040743 [0,2,0,0,0,0|1,0,1]=4 8781 B17R0.340 CCOC(=O)CCC(C)NCCCCCC(C)C 2230a_100011290863_100000748298 [0,2,0,0,0,0|2,0,0]=4 8782 B17R0.340 CCOC(=O)CCC(C)NCCCCCC(C)C 34a_100011290863_100000748298 [0,2,0,0,0,0|2,0,0]=4 8783 B17R0.340 CCOC(=O)CCC(C)OCCCCCC(C)C 34a_100011995859_100000748298 [0,2,0,0,0,0|2,0,0]=4 8784 B17R0.340 CCOC(=O)CCC(C)OCCCCCC(C)C 7a_100011995859_100000748298 [0,2,0,0,0,0|2,0,0]=4 8785 B17R0.340 CCOC(=O)CCC(C)SCCCCCC(C)C 62a_100000210682_100000748298 [0,2,0,0,0,0|2,0,0]=4 8786 B17R0.340 CCOC(=O)CCC(C)SCCCCCC(C)C 62a_100000748298_100000210682 [0,2,0,0,0,0|2,0,0]=4 8787 B17R0.2045 CCCC(=O)CCCCCCCCCC(F)(F)F 1458a_100000211992_200041927475 [0,2,0,0,0,0|2,0,0]=4 8788 B17R0.2045 CCNC(=O)CCNCCCCCC[N+](C)(C)C 34a_100025743525_100009996864 [0,2,0,0,0,0|2,0,0]=4 8789 B17R0.2045 CCNC(=O)CCSCCCCCC[N+](C)(C)C 62a_100000737597_100009996864 [0,2,0,0,0,0|2,0,0]=4 8790 B17R0.2045 CCNC(=O)CCSCCCCCC[N+](C)(C)C 62a_100009996864_100000737597 [0,2,0,0,0,0|2,0,0]=4 8791 B17R0.2045 CCOC(=O)CCCCCCCCNC(C)(C)C 2230a_100000715429_100010175975 [0,2,0,0,0,0|2,0,0]=4 8792 B17R0.2045 CCOC(=O)CCCCCCCCOC(C)(C)C 34a_100015890283_100010175975 [0,2,0,0,0,0|2,0,0]=4 8793 B17R0.2045 CCOC(=O)CCCCCCCCOC(C)(C)C 7a_100015890283_100010175975 [0,2,0,0,0,0|2,0,0]=4 8794 B17R0.2045 CCOC(=O)CCCCCCCCSC(C)(C)C 62a_100000211941_100010175975 [0,2,0,0,0,0|2,0,0]=4 8795 B17R0.2045 CCOC(=O)CCCCCCCNCC(C)(C)C 2230a_100000743828_100009991516 [0,2,0,0,0,0|2,0,0]=4 8796 B17R0.2045 CCOC(=O)CCCCCCCNCC(C)(C)F 2230a_100020643315_100009991516 [0,2,0,0,0,0|2,0,0]=4 8797 B17R0.2045 CCOC(=O)CCCCCCCNCC(C)(C)O 2230a_100000751335_100009991516 [0,2,0,0,0,0|2,0,0]=4 8798 B17R0.2045 CCOC(=O)CCCCCCCOCC(C)(C)F 34a_100000716592_100009991516 [0,2,0,0,0,0|2,0,0]=4 8799 B17R0.2045 CCOC(=O)CCCCCCCOCC(C)(F)F 34a_100000068830_100009991516 [0,2,0,0,0,0|2,0,0]=4 8800 B17R0.2045 CCOC(=O)CCCCCCCSCC(C)(C)C 62a_100011219605_100009991516 [0,2,0,0,0,0|2,0,0]=4 8801 B17R0.2045 CCOC(=O)CCCCCCCSCC(C)(C)F 62a_100011997219_100009991516 [0,2,0,0,0,0|2,0,0]=4 8802 B17R0.2045 CCOC(=O)CCCCCCCSCC(C)(C)O 62a_100000764493_100009991516 [0,2,0,0,0,0|2,0,0]=4 8803 B17R0.2045 CCOC(=O)CCCCCCNCCC(C)(C)C 2230a_100000738805_100009814379 [0,2,0,0,0,0|2,0,0]=4 8804 B17R0.2045 CCOC(=O)CCCCCCNCCC(C)(C)F 2230a_100016253952_100009814379 [0,2,0,0,0,0|2,0,0]=4 8805 B17R0.2045 CCOC(=O)CCCCCCOCCC(C)(C)C 7a_100000765024_100009814379 [0,2,0,0,0,0|2,0,0]=4 8806 B17R0.2045 CCOC(=O)CCCCCCSCCC(C)(C)C 62a_100000755188_100009814379 [0,2,0,0,0,0|2,0,0]=4 8807 B17R0.2045 CCOC(=O)CCCCCCSCCC(C)(C)O 62a_100000702414_100009814379 [0,2,0,0,0,0|2,0,0]=4 8808 B17R0.2045 CCOC(=O)CCCCCOCCCC(C)(C)O 7a_100011214988_100009888830 [0,2,0,0,0,0|2,0,0]=4 8809 B17R0.2045 CCOC(=O)CCCCCSCCCC(C)(C)O 62a_100000755133_100009888830 [0,2,0,0,0,0|2,0,0]=4 8810 B17R0.2045 CCOC(=O)CCCCCSCCCC(C)(C)O 62a_100009888830_100000755133 [0,2,0,0,0,0|2,0,0]=4 8811 B17R0.2045 CCOC(=O)CCCOCCCCCC(C)(C)O 7a_100012001163_100010402123 [0,2,0,0,0,0|2,0,0]=4 8812 B17R0.2045 CCOC(=O)CCCSCCCCCC(C)(C)O 62a_100009991533_100010402123 [0,2,0,0,0,0|2,0,0]=4 8813 B17R0.2045 CCOC(=O)CCCSCCCCCC(C)(C)O 62a_100010402123_100009991533 [0,2,0,0,0,0|2,0,0]=4 8814 B17R0.2530 CCNC(=O)CCCC(=O)CCCCCC(C)C 1458a_100000199580_100000210682 [0,2,0,0,0,0|0,0,1]=3 8815 B17R0.2530 CCNC(=O)CCNC(=O)CCCCCC(C)C 11a_100025743525_100000766313 [0,2,0,0,0,0|1,0,1]=4 8816 B17R0.2530 CCNC(=O)CCNC(=O)CCCCCC(C)C 1626a_100025743525_100000766313 [0,2,0,0,0,0|1,0,1]=4 8817 B17R0.2530 CCNC(=O)CCNC(=O)CCCCCC(C)C 240690a_100025743525_100000766313 [0,2,0,0,0,0|1,0,1]=4 8818 B17R0.2530 CCNC(=O)CCNC(=O)CCCCCC(C)C 527a_100025743525_100000766313 [0,2,0,0,0,0|1,0,1]=4 8819 B17R0.2530 CCOC(=O)CCCC(=O)CCCCCC(C)C 1458a_100000210991_100000210682 [0,2,0,0,0,0|1,0,1]=4 8820 B17R0.2530 CCOC(=O)CCCC(=O)CCCCCC(C)C 1458a_100000766313_100011215271 [0,2,0,0,0,0|1,0,1]=4 8821 B17R0.3167 C#CC(C)NCCCCCCCCC(=O)OCC 2230a_100000707721_100010175975 [0,2,0,0,0,0|2,0,0]=4 8822 B17R0.3167 C#CC(C)NCCCCCCCCC(=O)OCC 34a_100000707721_100010175975 [0,2,0,0,0,0|2,0,0]=4 8823 B17R0.3167 C#CC(C)SCCCCCCCCC(=O)OCC 62a_200000035995_100010175975 [0,2,0,0,0,0|2,0,0]=4 8824 B17R0.3167 C#C[C@@H](C)OCCCCCCCCC(=O)OCC 34a_100009815206_100010175975 [0,2,0,0,0,0|2,0,0]=4 8825 B17R0.3167 C#C[C@@H](C)OCCCCCCCCC(=O)OCC 7a_100009815206_100010175975 [0,2,0,0,0,0|2,0,0]=4 8826 B17R0.3167 C=CC(C)COCCCCCCCC(=O)OCC 34a_100011215527_100009991516 [0,2,0,0,0,0|2,0,0]=4 8827 B17R0.3167 C=CC(C)COCCCCCCCC(=O)OCC 7a_100011215527_100009991516 [0,2,0,0,0,0|2,0,0]=4 8828 B17R0.3167 C=CC(C)OCCCCCCCCC(=O)OCC 34a_100000695699_100010175975 [0,2,0,0,0,0|2,0,0]=4 8829 B17R0.3167 C=CC(C)SCCCCCCCCC(=O)OCC 62a_100011215867_100010175975 [0,2,0,0,0,0|2,0,0]=4 8830 B17R0.3167 CCCC(=O)CCCCCCCCCC(=O)OC 1458a_100000211992_100009813843 [0,2,0,0,0,0|1,0,1]=4 8831 B17R0.3167 CCCC(=O)CCCCCCCCCC(=O)OC 1458a_100009997464_100000210303 [0,2,0,0,0,0|1,0,1]=4 8832 B17R0.3167 CCNC(=O)CCCCCCCCCC(=O)OC 11a_100015525214_100009997464 [0,2,0,0,0,0|0,0,1]=3 8833 B17R0.3167 CCNC(=O)CCCCCCCCCC(=O)OC 240690a_100015525214_100009997464 [0,2,0,0,0,0|0,0,1]=3 8834 B17R0.3167 CCNC(=O)CCNCCCCCCC(=O)OC 34a_100025743525_100009815986 [0,2,0,0,0,0|1,0,1]=4 8835 B17R0.3167 CCNC(=O)CCOCCCCCCC(=O)OC 7a_100009863599_100000737597 [0,2,0,0,0,0|1,0,1]=4 8836 B17R0.3167 CCNC(=O)CCSCCCCCCC(=O)OC 62a_100000737597_100009815986 [0,2,0,0,0,0|1,0,1]=4 8837 B17R0.3167 CCNC(=O)CCSCCCCCCC(=O)OC 62a_100009815986_100000737597 [0,2,0,0,0,0|1,0,1]=4 8838 B17R0.3167 CCNC(=O)CNCCCCCCCC(=O)OC 2230a_100016988866_100010004213 [0,2,0,0,0,0|1,0,1]=4 8839 B17R0.3167 CCNC(=O)COCCCCCCCC(=O)OC 34a_100011022521_100000183381 [0,2,0,0,0,0|1,0,1]=4 8840 B17R0.3167 CCNC(=O)COCCCCCCCC(=O)OC 7a_100011022521_100000183381 [0,2,0,0,0,0|1,0,1]=4 8841 B17R0.3167 CCNC(=O)CSCCCCCCCC(=O)OC 62a_100000183381_100010004213 [0,2,0,0,0,0|1,0,1]=4 8842 B17R0.3167 CCNC(=O)CSCCCCCCCC(=O)OC 62a_100010004213_100000183381 [0,2,0,0,0,0|1,0,1]=4 8843 B17R0.3167 CCOC(=O)CCCCCCCCCC(=O)CC 1458a_100000210414_100009828014 [0,2,0,0,0,0|1,0,0]=3 8844 B17R0.3167 CCOC(=O)CCCCCCCCCC(=O)CO 1458a_100000210174_100009828014 [0,2,0,0,0,0|1,0,1]=4 8845 B17R0.3167 CCOC(=O)CCCCCCCCCN(C)CC 2230a_100000225621_100009828014 [0,2,0,0,0,0|1,0,0]=3 8846 B17R0.3167 CCOC(=O)CCCCCCCCCN(C)CC 269982a_100000225621_100009828014 [0,2,0,0,0,0|1,0,0]=3 8847 B17R0.3167 CCOC(=O)CCCCCCCCNC(C)C#N 2230a_100000737613_100010175975 [0,2,0,0,0,0|2,0,0]=4 8848 B17R0.3167 CCOC(=O)CCCCCCCCNC(C)CC 2230a_100000209981_100010175975 [0,2,0,0,0,0|1,0,0]=3 8849 B17R0.3167 CCOC(=O)CCCCCCCCN[C@H](C)CO 2230a_100000737577_100010175975 [0,2,0,0,0,0|2,0,0]=4 8850 B17R0.3167 CCOC(=O)CCCCCCCCOC(C)C#N 34a_100011218135_100010175975 [0,2,0,0,0,0|2,0,0]=4 8851 B17R0.3167 CCOC(=O)CCCCCCCCOC(C)CC 7a_100000210228_100010175975 [0,2,0,0,0,0|1,0,0]=3 8852 B17R0.3167 CCOC(=O)CCCCCCCCOC(C)CF 34a_100016041109_100010175975 [0,2,0,0,0,0|2,0,0]=4 8853 B17R0.3167 CCOC(=O)CCCCCCCCOC(C)CF 7a_100016041109_100010175975 [0,2,0,0,0,0|2,0,0]=4 8854 B17R0.3167 CCOC(=O)CCCCCCCCOC(C)CN 34a_100000210904_100010175975 [0,2,0,0,0,0|2,0,0]=4 8855 B17R0.3167 CCOC(=O)CCCCCCCCSC(C)C#N 62a_100000703298_100010175975 [0,2,0,0,0,0|2,0,0]=4 8856 B17R0.3167 CCOC(=O)CCCCCCCCSC(C)CC 62a_100000758301_100010175975 [0,2,0,0,0,0|1,0,0]=3 8857 B17R0.3167 CCOC(=O)CCCCCCCCSC(C)CO 62a_100012180447_100010175975 [0,2,0,0,0,0|2,0,0]=4 8858 B17R0.3167 CCOC(=O)CCCCCCCCSC(C)OC 62a_100009879195_100010175975 [0,2,0,0,0,0|2,0,0]=4 8859 B17R0.3167 CCOC(=O)CCCCCCCCS[C@H](C)CO 62a_100016084084_100010175975 [0,2,0,0,0,0|2,0,0]=4 8860 B17R0.3167 CCOC(=O)CCCCCCCNCC(C)CC 2230a_100020588543_100009991516 [0,2,0,0,0,0|1,0,0]=3 8861 B17R0.3167 CCOC(=O)CCCCCCCNCC(C)CO 34a_100000744482_100009991516 [0,2,0,0,0,0|2,0,0]=4 8862 B17R0.3167 CCOC(=O)CCCCCCCNCC(O)CC 2230a_100011218483_100009991516 [0,2,0,0,0,0|1,0,0]=3 8863 B17R0.3167 CCOC(=O)CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100009991516 [0,2,0,0,0,0|2,0,0]=4 8864 B17R0.3167 CCOC(=O)CCCCCCCNC[C@@H](F)CO 34a_100015665980_100009991516 [0,2,0,0,0,0|2,0,0]=4 8865 B17R0.3167 CCOC(=O)CCCCCCCNC[C@H](O)CO 2230a_100020644852_100009991516 [0,2,0,0,0,0|2,0,0]=4 8866 B17R0.3167 CCOC(=O)CCCCCCCOCC(=O)CC 34a_100000725409_100009991516 [0,2,0,0,0,0|1,0,1]=4 8867 B17R0.3167 CCOC(=O)CCCCCCCOCC(C)CN 34a_100000744482_100009991516 [0,2,0,0,0,0|2,0,0]=4 8868 B17R0.3167 CCOC(=O)CCCCCCCOCC(C)OC 34a_100000690652_100009991516 [0,2,0,0,0,0|2,0,0]=4 8869 B17R0.3167 CCOC(=O)CCCCCCCOCC(Cl)CCl 34a_100000033668_100009991516 [0,2,0,0,0,0|2,0,0]=4 8870 B17R0.3167 CCOC(=O)CCCCCCCOC[C@@H](C)CC 7a_100009816381_100009991516 [0,2,0,0,0,0|1,0,0]=3 8871 B17R0.3167 CCOC(=O)CCCCCCCOC[C@H](F)CN 34a_100015665980_100009991516 [0,2,0,0,0,0|2,0,0]=4 8872 B17R0.3167 CCOC(=O)CCCCCCCSCC(=O)CC 62a_100000747405_100009991516 [0,2,0,0,0,0|1,0,1]=4 8873 B17R0.3167 CCOC(=O)CCCCCCCSCC(C)CC 62a_100000748023_100009991516 [0,2,0,0,0,0|1,0,0]=3 8874 B17R0.3167 CCOC(=O)CCCCCCCSCC(O)CC 62a_100011218378_100009991516 [0,2,0,0,0,0|1,0,0]=3 8875 B17R0.3167 CCOC(=O)CCCCCCCSCC(O)CO 62a_100011219619_100009991516 [0,2,0,0,0,0|2,0,0]=4 8876 B17R0.3167 CCOC(=O)CCCCCCCSC[C@@H](C)CC 62a_100009816398_100009991516 [0,2,0,0,0,0|1,0,0]=3 8877 B17R0.3167 CCOC(=O)CCCCCCCSC[C@@H](C)CO 62a_100000059175_100009991516 [0,2,0,0,0,0|2,0,0]=4 8878 B17R0.3167 CCOC(=O)CCCCCCCSC[C@@H](O)CF 62a_100015614560_100009991516 [0,2,0,0,0,0|2,0,0]=4 8879 B17R0.3167 CCOC(=O)CCCCCCCSC[C@@H](O)CO 62a_100009815848_100009991516 [0,2,0,0,0,0|2,0,0]=4 8880 B17R0.3167 CCOC(=O)CCCCCCNCCC(C)CC 2230a_100020591266_100009814379 [0,2,0,0,0,0|1,0,0]=3 8881 B17R0.3167 CCOC(=O)CCCCCCNCCC(C)CO 2230a_106354213184_100009814379 [0,2,0,0,0,0|2,0,0]=4 8882 B17R0.3167 CCOC(=O)CCCCCCNCCC(C)CO 34a_106354213184_100009814379 [0,2,0,0,0,0|2,0,0]=4 8883 B17R0.3167 CCOC(=O)CCCCCCOCCC(C)CC 7a_100011215188_100009814379 [0,2,0,0,0,0|1,0,0]=3 8884 B17R0.3167 CCOC(=O)CCCCCCOCCC(C)OC 7a_100000764861_100009814379 [0,2,0,0,0,0|2,0,0]=4 8885 B17R0.3167 CCOC(=O)CCCCCOCCCC(C)CC 7a_100011216074_100000755133 [0,2,0,0,0,0|1,0,0]=3 8886 B17R0.3167 CCOC(=O)CCCCCOCCCN(C)CC 7a_100011214988_100015186262 [0,2,0,0,0,0|2,0,0]=4 8887 B17R0.3167 CCOC(=O)CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000755133 [0,2,0,0,0,0|2,0,0]=4 8888 B17R0.3167 CCOC(=O)CCCCCSCCCN(C)CC 62a_100000755133_100015186262 [0,2,0,0,0,0|2,0,0]=4 8889 B17R0.3167 CCOC(=O)CCCOCCCCCC(C)CC 7a_200000035636_100011215271 [0,2,0,0,0,0|1,0,0]=3 8890 B17R0.3167 CCOC(=O)COCCCOCCCC(C)CC 7a_100011216074_100009893628 [0,2,0,0,0,0|2,0,0]=4 8891 B17R0.3167 CCOC(=O)NCCOCCCCCC(C)CC 7a_200000035636_200011445536 [0,2,0,0,0,0|2,0,0]=4 8892 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)C(C)C 1458a_100000210198_100010175975 [0,2,0,0,0,0|1,0,1]=4 8893 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)C(C)C 1458a_200000016031_100000210206 [0,2,0,0,0,0|1,0,1]=4 8894 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)C(C)F 1458a_100000062450_100010175975 [0,2,0,0,0,0|1,0,1]=4 8895 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010175975 [0,2,0,0,0,0|1,0,1]=4 8896 B17R0.3169 CCOC(=O)CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100010175975 [0,2,0,0,0,0|1,0,1]=4 8897 B17R0.3169 CCOC(=O)CCCCCCCCN(C)C(C)C 269982a_200000211004_100010175975 [0,2,0,0,0,0|2,0,0]=4 8898 B17R0.3169 CCOC(=O)CCCCCCCNC(C)C(C)C 2230a_100000211541_100009991516 [0,2,0,0,0,0|2,0,0]=4 8899 B17R0.3169 CCOC(=O)CCCCCCCOC(C)C(C)C 7a_100000748068_100009991516 [0,2,0,0,0,0|2,0,0]=4 8900 B17R0.3169 CCOC(=O)CCCCCCNCC(O)C(C)C 2230a_100000759067_100009814379 [0,2,0,0,0,0|2,0,0]=4 8901 B17R0.3169 CCOC(=O)CCCCCCNCC(O)C(C)C 34a_100000759067_100009814379 [0,2,0,0,0,0|2,0,0]=4 8902 B17R0.3169 CCOC(=O)CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100009814379 [0,2,0,0,0,0|2,0,0]=4 8903 B17R0.3169 CCOC(=O)CCCCCOCCC(N)C(C)C 34a_100161115045_100000755133 [0,2,0,0,0,0|2,0,0]=4 8904 B17R0.3173 CCOC(=O)CCCCCCC(=O)CCC(C)C 1458a_100000031895_100000210312 [0,2,0,0,0,0|1,0,1]=4 8905 B17R0.3173 CCOC(=O)CCCCCCC(=O)CCC(C)C 1458a_100000181311_100009814379 [0,2,0,0,0,0|1,0,1]=4 8906 B17R0.3173 CCOC(=O)CCCCCCC(=O)CCC(C)O 1458a_100000031895_100012276601 [0,2,0,0,0,0|1,0,1]=4 8907 B17R0.3173 CCOC(=O)CCCCCCN(C)CCC(C)C 2230a_100000742789_100009814379 [0,2,0,0,0,0|2,0,0]=4 8908 B17R0.3173 CCOC(=O)CCCCCCN(C)CCC(C)C 269982a_100000742789_100009814379 [0,2,0,0,0,0|2,0,0]=4 8909 B17R0.3173 CCOC(=O)CCCCCNC(C)CCC(C)C 2230a_100138410893_100000755133 [0,2,0,0,0,0|2,0,0]=4 8910 B17R0.3173 CCOC(=O)CCCCCOC(C)CCC(C)C 34a_100011215350_100000755133 [0,2,0,0,0,0|2,0,0]=4 8911 B17R0.3173 CCOC(=O)CCCCCOC(C)CCC(C)C 7a_100011215350_100000755133 [0,2,0,0,0,0|2,0,0]=4 8912 B17R0.3173 CCOC(=O)CCCCCSC(C)CCC(C)C 62a_100000755133_100011261404 [0,2,0,0,0,0|2,0,0]=4 8913 B17R0.3173 CCOC(=O)CCCCCSC(C)CCC(C)C 62a_100011261404_100000755133 [0,2,0,0,0,0|2,0,0]=4 8914 B17R0.3299 CCN(C)C(=O)COCCCCCCCC(C)C 34a_200000210741_100000738999 [0,2,0,0,0,0|1,0,0]=3 8915 B17R0.3299 CCN(C)C(=O)COCCCCCCCC(C)C 7a_200000210741_100000738999 [0,2,0,0,0,0|1,0,0]=3 8916 B17R0.3299 CON(C)C(=O)CCCOCCCCCC(C)C 7a_100011995859_100011842776 [0,2,0,0,0,0|2,0,0]=4 8917 B17R0.3299 CON(C)C(=O)CCCSCCCCCC(C)C 62a_100000210682_100011842776 [0,2,0,0,0,0|2,0,0]=4 8918 B17R0.3299 CON(C)C(=O)CCCSCCCCCC(C)C 62a_100011842776_100000210682 [0,2,0,0,0,0|2,0,0]=4 8919 B17R0.3299 CON(C)C(=O)COCCCCCCCC(C)C 7a_200000210741_100000764215 [0,2,0,0,0,0|2,0,0]=4 8920 B17R0.7246 CCOC(=O)CCCCC(=O)CCCCC(C)C 1458a_100011217402_100011216152 [0,2,0,0,0,0|1,0,1]=4 8921 B17R0.7246 CCOC(=O)CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000750268 [0,2,0,0,0,0|1,0,1]=4 8922 B17R0.88 CCCCCCCC(=O)CCCCC(=O)OCC 1458a_100000211969_100000750268 [0,2,0,0,0,0|1,0,0]=3 8923 B17R0.88 CCCCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210614 [0,2,0,0,0,0|1,0,0]=3 8924 B17R0.88 CCCCCCCC(=O)CCOCC(=O)OCC 1458a_100000211969_100000088970 [0,2,0,0,0,0|1,0,1]=4 8925 B17R0.88 CCCCCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211969 [0,2,0,0,0,0|1,0,1]=4 8926 B17R0.88 CCCCCCCC(=O)OCNCC(=O)NCC 2230a_100016988866_100009852258 [0,2,0,0,0,0|1,0,1]=4 8927 B17R0.88 CCCCCCCC(=O)OCSCC(=O)NCC 62a_100000183381_100009852258 [0,2,0,0,0,0|1,0,1]=4 8928 B17R0.88 CCCCCCCC(C)OCCCC(=O)OCC 34a_200011215852_100009991533 [0,2,0,0,0,0|1,0,0]=3 8929 B17R0.88 CCCCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218727 [0,2,0,0,0,0|1,0,0]=3 8930 B17R0.88 CCCCCCCC(C)OCCCC(=O)OCC 7a_200011215852_100011215271 [0,2,0,0,0,0|1,0,0]=3 8931 B17R0.88 CCCCCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011218727 [0,2,0,0,0,0|2,0,0]=4 8932 B17R0.88 CCCCCCCC(C)OCCNC(=O)OCC 7a_200011215852_200011445536 [0,2,0,0,0,0|2,0,0]=4 8933 B17R0.88 CCCCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218727 [0,2,0,0,0,0|1,0,0]=3 8934 B17R0.88 CCCCCCCC(C)SCCCC(=O)OCC 62a_200011218727_100009991533 [0,2,0,0,0,0|1,0,0]=3 8935 B17R0.88 CCCCCCCC(C)SCCNC(=O)OCC 62a_200011218727_200011445536 [0,2,0,0,0,0|2,0,0]=4 8936 B17R0.88 CCCCCCCN(C)CCCCC(=O)OCC 2230a_100000228206_100000750268 [0,2,0,0,0,0|1,0,0]=3 8937 B17R0.88 CCCCCCCN(C)CCCCC(=O)OCC 269982a_100000228206_100000750268 [0,2,0,0,0,0|1,0,0]=3 8938 B17R0.88 CCCCCCCN(C)CCOCC(=O)OCC 2230a_100000228206_100000088970 [0,2,0,0,0,0|2,0,0]=4 8939 B17R0.88 CCCCCCCN(C)CCOCC(=O)OCC 269982a_100000228206_100000088970 [0,2,0,0,0,0|2,0,0]=4 8940 B17R0.88 CCCCCCNC(=O)CCCCC(=O)OCC 11a_100000210581_100011217402 [0,2,0,0,0,0|1,0,1]=4 8941 B17R0.88 CCCCCCNC(=O)CCCCC(=O)OCC 1626a_100000210581_100011217402 [0,2,0,0,0,0|1,0,1]=4 8942 B17R0.88 CCCCCCNC(=O)CCCCC(=O)OCC 240690a_100000210581_100011217402 [0,2,0,0,0,0|1,0,1]=4 8943 B17R0.88 CCCCCCNC(=O)CCCCC(=O)OCC 527a_100000210581_100011217402 [0,2,0,0,0,0|1,0,1]=4 8944 B17R0.88 CCCCCCNC(=O)CNCCC(=O)NCC 34a_100025743525_100000230325 [0,2,0,0,0,0|1,0,1]=4 8945 B17R0.88 CCCCCCNC(=O)CSCCC(=O)NCC 62a_100000230325_100000737597 [0,2,0,0,0,0|1,0,1]=4 8946 B17R0.88 CCCCOCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000743108 [0,2,0,0,0,0|1,0,1]=4 8947 B17R0.88 CCOC(=O)CCCCC(=O)CCCCCCF 1458a_100011217402_100015922095 [0,2,0,0,0,0|1,0,1]=4 8948 B17R0.88 CCOC(=O)CCCCC(=O)CCCCCCO 1458a_100011217402_100000766143 [0,2,0,0,0,0|1,0,1]=4 8949 B17R0.88 CCOC(=O)CCCCC(=O)CCCCCCO 1458a_100011996774_100000750268 [0,2,0,0,0,0|1,0,1]=4 8950 B17R0.88 CCOC(=O)CCCCC(=O)CCCCCOC 1458a_100011935119_100000750268 [0,2,0,0,0,0|1,0,1]=4 8951 B17R0.90 CCCCC(=O)CCCCCCCC(=O)OCC 1458a_100000210183_100009991516 [0,2,0,0,0,0|1,0,0]=3 8952 B17R0.90 CCCCC(=O)NCCCCCCC(=O)OCC 188690a_100000741137_100000210183 [0,2,0,0,0,0|1,0,1]=4 8953 B17R0.90 CCCCC(C)CCCCOCCC(=O)NCC 7a_200011021034_100000737597 [0,2,0,0,0,0|0,0,0]=2 8954 B17R0.90 CCCCC(C)CCCCOCCC(=O)OCC 34a_200011021034_100000765890 [0,2,0,0,0,0|1,0,0]=3 8955 B17R0.90 CCCCC(C)CCCCOCCC(=O)OCC 7a_200011021034_100011206558 [0,2,0,0,0,0|1,0,0]=3 8956 B17R0.90 CCCCC(C)CCCCOCOC(=O)CCC 34a_200011021034_100000034017 [0,2,0,0,0,0|2,0,0]=4 8957 B17R0.90 CCCCC(C)COCCCCCC(=O)OCC 34a_100011995851_100000755133 [0,2,0,0,0,0|1,0,0]=3 8958 B17R0.90 CCCCC(C)COCCCCCC(=O)OCC 7a_100011995851_100000755133 [0,2,0,0,0,0|1,0,0]=3 8959 B17R0.90 CCCCC(C)COCCCOCC(=O)OCC 34a_100011995851_100009893628 [0,2,0,0,0,0|2,0,0]=4 8960 B17R0.90 CCCCC(C)COCCCOCC(=O)OCC 7a_100011995851_100009893628 [0,2,0,0,0,0|2,0,0]=4 8961 B17R0.90 CCCCC(C)NCCCCCCC(=O)OCC 2230a_100000126638_100009814379 [0,2,0,0,0,0|1,0,0]=3 8962 B17R0.90 CCCCC(C)OCCCCCCC(=O)OCC 34a_100000687866_100009814379 [0,2,0,0,0,0|1,0,0]=3 8963 B17R0.90 CCCCC(C)OCCCCCCC(=O)OCC 7a_100000687866_100009814379 [0,2,0,0,0,0|1,0,0]=3 8964 B17R0.90 CCCCC(C)SCCCCCCC(=O)OCC 62a_200011215066_100009814379 [0,2,0,0,0,0|1,0,0]=3 8965 B17R0.90 CCCCN(C)CCCCCCCC(=O)OCC 2230a_100000207549_100009991516 [0,2,0,0,0,0|1,0,0]=3 8966 B17R0.90 CCCCN(C)CCCCCCCC(=O)OCC 269982a_100000207549_100009991516 [0,2,0,0,0,0|1,0,0]=3 8967 B17R0.90 CCCC[C@H](N)COCCCCCC(=O)OCC 34a_100011934283_100000755133 [0,2,0,0,0,0|1,0,0]=3 8968 B17R0.90 CCCC[C@H](N)COCCCOCC(=O)OCC 34a_100011934283_100009893628 [0,2,0,0,0,0|2,0,0]=4 8969 B17R0.90 CCCNC(=O)CCCOCCCC(C)CCC 7a_100011713154_100011194427 [0,2,0,0,0,0|1,0,0]=3 8970 B17R0.90 CCCOC(C)CNCCCCCC(=O)OCC 2230a_100015185124_100000755133 [0,2,0,0,0,0|2,0,0]=4 8971 B17R0.90 CCCOC(C)CNCCCCCC(=O)OCC 34a_100015185124_100000755133 [0,2,0,0,0,0|2,0,0]=4 8972 B17R0.90 CCOC(=O)CCCCCCCC(=O)CCOC 1458a_100000749529_100009991516 [0,2,0,0,0,0|1,0,1]=4 8973 B17R0.90 CCOC(=O)CCCCCCCC(=O)CCSC 1458a_100000174002_100009991516 [0,2,0,0,0,0|1,0,1]=4 8974 B17R0.90 CCOC(=O)CCCCCCCC(=O)CSCC 1458a_100000230394_100009991516 [0,2,0,0,0,0|1,0,1]=4 8975 B17R0.90 CCOC(=O)CCCCCCCN(C)CCCO 2230a_100000213112_100009991516 [0,2,0,0,0,0|2,0,0]=4 8976 B17R0.90 CCOC(=O)CCCCCCCN(C)CCCO 269982a_100000213112_100009991516 [0,2,0,0,0,0|2,0,0]=4 8977 B17R0.90 CCOC(=O)CCCCCCCN(C)CCOC 2230a_100000743101_100009991516 [0,2,0,0,0,0|2,0,0]=4 8978 B17R0.90 CCOC(=O)CCCCCCCN(C)CCOC 269982a_100000743101_100009991516 [0,2,0,0,0,0|2,0,0]=4 8979 B17R0.90 CCOC(=O)CCCCCCCN(C)CCSC 2230a_100000686725_100009991516 [0,2,0,0,0,0|2,0,0]=4 8980 B17R0.90 CCOC(=O)CCCCCCCN(C)CCSC 269982a_100000686725_100009991516 [0,2,0,0,0,0|2,0,0]=4 8981 B17R0.90 CCOC(=O)CCCCCCOC(C)CCCCl 34a_200000718107_100009814379 [0,2,0,0,0,0|2,0,0]=4 8982 B17R0.90 CCOC(=O)CCCCCCOC(C)CCCCl 7a_200000718107_100009814379 [0,2,0,0,0,0|2,0,0]=4 8983 B17R0.90 CCOC(=O)CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000755133 [0,2,0,0,0,0|2,0,0]=4 8984 B17R0.90 CCOC(=O)CCCCCNC[C@H](C)CCCO 34a_100160569302_100000755133 [0,2,0,0,0,0|2,0,0]=4 8985 B17R0.90 CCOC(=O)CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000755133 [0,2,0,0,0,0|2,0,0]=4 8986 B17R0.90 CCOCC(=O)CCCCCCCC(=O)OCC 1458a_100000211967_100009991516 [0,2,0,0,0,0|1,0,1]=4 8987 B17R0.90 CCOCC(C)OCCCCCCC(=O)OCC 34a_100000718985_100009814379 [0,2,0,0,0,0|2,0,0]=4 8988 B17R0.90 CCOCC(C)OCCCCCCC(=O)OCC 7a_100000718985_100009814379 [0,2,0,0,0,0|2,0,0]=4 8989 B17R0.90 CCOCC(O)CNCCCCCC(=O)OCC 2230a_102515437182_100000755133 [0,2,0,0,0,0|2,0,0]=4 8990 B17R0.90 CCOCC(O)CNCCCCCC(=O)OCC 34a_102515437182_100000755133 [0,2,0,0,0,0|2,0,0]=4 8991 B17R0.116 C#CCCCCCCCCOCC(=O)NC(C)C 34a_100000065265_100000183996 [0,2,0,0,0,0|0,0,2]=4 8992 B17R0.116 C#CCCCCCCCCOCC(=O)NC(C)C 7a_100000065265_100000183996 [0,2,0,0,0,0|0,0,2]=4 8993 B17R0.116 C#CCCCCCCCOCCC(=O)NC(C)C 7a_100000054614_100000737564 [0,2,0,0,0,0|0,0,2]=4 8994 B17R0.116 C#CCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100153394163 [0,2,0,0,0,0|0,0,2]=4 8995 B17R0.116 C#CCCCCCCCSCCC(=O)NC(C)C 62a_100153394163_100000737564 [0,2,0,0,0,0|0,0,2]=4 8996 B17R0.116 C=C(C)CC(=O)CCCCCCCCCCCC 1458a_100011215791_100000748629 [0,2,0,0,0,0|1,0,1]=4 8997 B17R0.116 C=CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011093070 [0,2,0,0,0,0|1,0,1]=4 8998 B17R0.116 C=CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011093070 [0,2,0,0,0,0|1,0,1]=4 8999 B17R0.116 C=CCCCCCCCCCNC(=O)NC(C)C 2708a_100000081888_100138425928 [0,2,0,0,0,0|0,0,2]=4 9000 B17R0.116 C=CCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000081888 [0,2,0,0,0,0|0,0,2]=4 9001 B17R0.116 C=CCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000081888 [0,2,0,0,0,0|0,0,2]=4 9002 B17R0.116 C=CCCCCCCCCCNC(=O)NC(C)C 512a_100000081888_100138425928 [0,2,0,0,0,0|0,0,2]=4 9003 B17R0.116 C=CCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000081888 [0,2,0,0,0,0|0,0,2]=4 9004 B17R0.116 C=CCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011933949 [0,2,0,0,0,0|0,0,2]=4 9005 B17R0.116 C=CCCCCCCCCOCC(=O)NC(C)C 34a_100011215194_100000183996 [0,2,0,0,0,0|0,0,2]=4 9006 B17R0.116 C=CCCCCCCCCOCC(=O)NC(C)C 7a_100011215194_100000183996 [0,2,0,0,0,0|0,0,2]=4 9007 B17R0.116 C=CCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100011933949 [0,2,0,0,0,0|0,0,2]=4 9008 B17R0.116 C=CCCCCCCCCSCC(=O)NC(C)C 62a_100011933949_100000183996 [0,2,0,0,0,0|0,0,2]=4 9009 B17R0.116 C=CCCCCCCCOCCC(=O)NC(C)C 7a_100000730831_100000737564 [0,2,0,0,0,0|0,0,2]=4 9010 B17R0.116 C=CCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100012355270 [0,2,0,0,0,0|0,0,2]=4 9011 B17R0.116 C=CCCCCCCCSCCC(=O)NC(C)C 62a_100012355270_100000737564 [0,2,0,0,0,0|0,0,2]=4 9012 B17R0.116 CC(=CC(=O)CCCCCCCCCCCO)C 1458a_100000211388_100009812471 [0,2,0,0,0,0|1,0,1]=4 9013 B17R0.116 CC(=CC(=O)CCCCCCCCCCCO)Cl 1458a_200042562850_100009812471 [0,2,0,0,0,0|1,0,1]=4 9014 B17R0.116 CC(=CC(=O)CCCCCCCCCCCO)I 1458a_100025716642_100009812471 [0,2,0,0,0,0|1,0,1]=4 9015 B17R0.116 CC(=O)NC(=O)COCCCCCCCCCBr 7a_100009813782_100000183797 [0,2,0,0,0,0|1,0,1]=4 9016 B17R0.116 CC(=O)NC(=O)COCCCCCCCCCCl 7a_100009868337_100000183797 [0,2,0,0,0,0|1,0,1]=4 9017 B17R0.116 CC(=O)NC(=O)CSCCCCCCCCCO 62a_100009813782_100000183797 [0,2,0,0,0,0|1,0,1]=4 9018 B17R0.116 CC(C)CC(=O)CCCCCCCCCCCO 1458a_100000210554_100009812471 [0,2,0,0,0,0|1,0,0]=3 9019 B17R0.116 CC(C)CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210554 [0,2,0,0,0,0|2,0,0]=4 9020 B17R0.116 CC(C)NC(=O)CCCCCCCCCCCO 240690a_100138425928_100000037981 [0,2,0,0,0,0|0,0,0]=2 9021 B17R0.116 CC(C)NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000737564 [0,2,0,0,0,0|1,0,0]=3 9022 B17R0.116 CC(C)NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000737564 [0,2,0,0,0,0|1,0,0]=3 9023 B17R0.116 CC(C)NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000737564 [0,2,0,0,0,0|1,0,0]=3 9024 B17R0.116 CC(C)NC(=O)CCSCCCCCCCCO 62a_100000033203_100000737564 [0,2,0,0,0,0|1,0,0]=3 9025 B17R0.116 CC(C)NC(=O)CCSCCCCCCCCO 62a_100000737564_100000033203 [0,2,0,0,0,0|1,0,0]=3 9026 B17R0.116 CC(C)NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183996 [0,2,0,0,0,0|1,0,0]=3 9027 B17R0.116 CC(C)NC(=O)CNCCCCCCCCCO 2230a_100000168517_100009813782 [0,2,0,0,0,0|1,0,0]=3 9028 B17R0.116 CC(C)NC(=O)CNCCCCCCCCCO 34a_100000078944_100000183996 [0,2,0,0,0,0|1,0,0]=3 9029 B17R0.116 CC(C)NC(=O)COCCCCCCCCCBr 34a_100009813782_100000183996 [0,2,0,0,0,0|1,0,0]=3 9030 B17R0.116 CC(C)NC(=O)COCCCCCCCCCBr 7a_100009813782_100000183996 [0,2,0,0,0,0|1,0,0]=3 9031 B17R0.116 CC(C)NC(=O)COCCCCCCCCCCl 34a_100009868337_100000183996 [0,2,0,0,0,0|1,0,0]=3 9032 B17R0.116 CC(C)NC(=O)COCCCCCCCCCCl 7a_100009868337_100000183996 [0,2,0,0,0,0|1,0,0]=3 9033 B17R0.116 CC(C)NC(=O)COCCCCCCCCCN 34a_100000078944_100000183996 [0,2,0,0,0,0|1,0,0]=3 9034 B17R0.116 CC(C)NC(=O)CSCCCCCCCCCO 62a_100000183996_100009813782 [0,2,0,0,0,0|1,0,0]=3 9035 B17R0.116 CC(C)NC(=O)CSCCCCCCCCCO 62a_100009813782_100000183996 [0,2,0,0,0,0|1,0,0]=3 9036 B17R0.116 CC(C)NC(=O)NCCCCCCCCCCO 2708a_100000066964_100138425928 [0,2,0,0,0,0|1,0,0]=3 9037 B17R0.116 CC(C)NC(=O)NCCCCCCCCCCO 2708a_100138425928_100000066964 [0,2,0,0,0,0|1,0,0]=3 9038 B17R0.116 CC(C)NC(=O)NCCCCCCCCCCO 273464a_100138425928_100000066964 [0,2,0,0,0,0|1,0,0]=3 9039 B17R0.116 CC(C)NC(=O)NCCCCCCCCCCO 512a_100000066964_100138425928 [0,2,0,0,0,0|1,0,0]=3 9040 B17R0.116 CC(C)NC(=O)NCCCCCCCCCCO 512a_100138425928_100000066964 [0,2,0,0,0,0|1,0,0]=3 9041 B17R0.116 CC(C)OC(=O)CCCCCNCCCCCO 2230a_100000762737_200010986244 [0,2,0,0,0,0|2,0,0]=4 9042 B17R0.116 CC(C)OC(=O)CCCCCNCCCCCO 34a_100000762737_200010986244 [0,2,0,0,0,0|2,0,0]=4 9043 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCBr 34a_100000746331_200010986244 [0,2,0,0,0,0|2,0,0]=4 9044 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCBr 7a_100000746331_200010986244 [0,2,0,0,0,0|2,0,0]=4 9045 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCCl 34a_100000746330_200010986244 [0,2,0,0,0,0|2,0,0]=4 9046 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCCl 7a_100000746330_200010986244 [0,2,0,0,0,0|2,0,0]=4 9047 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCI 34a_200012148887_200010986244 [0,2,0,0,0,0|2,0,0]=4 9048 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCI 7a_200012148887_200010986244 [0,2,0,0,0,0|2,0,0]=4 9049 B17R0.116 CC(C)OC(=O)CCCCCOCCCCCN 34a_100000762737_200010986244 [0,2,0,0,0,0|2,0,0]=4 9050 B17R0.116 CC(C)OC(=O)CCCCCSCCCCCF 62a_100000729378_200010986244 [0,2,0,0,0,0|2,0,0]=4 9051 B17R0.116 CC(C)OC(=O)CCCCCSCCCCCF 62a_200010986244_100000729378 [0,2,0,0,0,0|2,0,0]=4 9052 B17R0.116 CC(C)OC(=O)CCCCCSCCCCCO 62a_100000746330_200010986244 [0,2,0,0,0,0|2,0,0]=4 9053 B17R0.116 CC(C)OC(=O)CCCCCSCCCCCO 62a_200010986244_100000746330 [0,2,0,0,0,0|2,0,0]=4 9054 B17R0.116 CC(C)OC(=O)CCNCCCCCCCCO 2230a_102515433106_100000760027 [0,2,0,0,0,0|2,0,0]=4 9055 B17R0.116 CC(C)OC(=O)CCOCCCCCCCCBr 7a_100009813846_100000760027 [0,2,0,0,0,0|2,0,0]=4 9056 B17R0.116 CC(C)OC(=O)CCOCCCCCCCCCl 7a_100000033203_100000760027 [0,2,0,0,0,0|2,0,0]=4 9057 B17R0.116 CC(C)OC(=O)CCSCCCCCCCCO 62a_100000033203_100000760027 [0,2,0,0,0,0|2,0,0]=4 9058 B17R0.116 CC(C)OC(=O)CCSCCCCCCCCO 62a_100000760027_100000033203 [0,2,0,0,0,0|2,0,0]=4 9059 B17R0.116 CC(C)OC(=O)CNCCCCCCCCCO 2230a_100000078944_100011215430 [0,2,0,0,0,0|2,0,0]=4 9060 B17R0.116 CC(C)OC(=O)CNCCCCCCCCCO 34a_100000078944_100011215430 [0,2,0,0,0,0|2,0,0]=4 9061 B17R0.116 CC(C)OC(=O)COCCCCCCCCCBr 34a_100009813782_100011215430 [0,2,0,0,0,0|2,0,0]=4 9062 B17R0.116 CC(C)OC(=O)COCCCCCCCCCBr 7a_100009813782_100011215430 [0,2,0,0,0,0|2,0,0]=4 9063 B17R0.116 CC(C)OC(=O)COCCCCCCCCCCl 34a_100009868337_100011215430 [0,2,0,0,0,0|2,0,0]=4 9064 B17R0.116 CC(C)OC(=O)COCCCCCCCCCCl 7a_100009868337_100011215430 [0,2,0,0,0,0|2,0,0]=4 9065 B17R0.116 CC(C)OC(=O)COCCCCCCCCCN 34a_100000078944_100011215430 [0,2,0,0,0,0|2,0,0]=4 9066 B17R0.116 CC(C)OC(=O)CSCCCCCCCCCO 62a_100009813782_100011215430 [0,2,0,0,0,0|2,0,0]=4 9067 B17R0.116 CC(C)OC(=O)CSCCCCCCCCCO 62a_100011215430_100009813782 [0,2,0,0,0,0|2,0,0]=4 9068 B17R0.116 CC/C=C\CCCCCOCCC(=O)NC(C)C 7a_100016268722_100000737564 [0,2,0,0,0,0|0,0,2]=4 9069 B17R0.116 CCC#CCCCCCCNCC(=O)NC(C)C 2230a_100000168517_200000036426 [0,2,0,0,0,0|0,0,2]=4 9070 B17R0.116 CCC#CCCCCCCSCC(=O)NC(C)C 62a_100000183996_200000036426 [0,2,0,0,0,0|0,0,2]=4 9071 B17R0.116 CCC#CCCCCCCSCC(=O)NC(C)C 62a_200000036426_100000183996 [0,2,0,0,0,0|0,0,2]=4 9072 B17R0.116 CCCC/C=C/CCCCOCC(=O)NC(C)C 34a_200020645093_100000183996 [0,2,0,0,0,0|0,0,2]=4 9073 B17R0.116 CCCC/C=C/CCCCOCC(=O)NC(C)C 7a_200020645093_100000183996 [0,2,0,0,0,0|0,0,2]=4 9074 B17R0.116 CCCCC#CCCCCCCC(=O)CC(C)C 1458a_100000210554_200000043322 [0,2,0,0,0,0|1,0,1]=4 9075 B17R0.116 CCCCC#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000043322 [0,2,0,0,0,0|1,0,1]=4 9076 B17R0.116 CCCCC#CCCCCOCC(=O)NC(C)C 34a_200000066234_100000183996 [0,2,0,0,0,0|0,0,2]=4 9077 B17R0.116 CCCCC#CCCCCOCC(=O)NC(C)C 7a_200000066234_100000183996 [0,2,0,0,0,0|0,0,2]=4 9078 B17R0.116 CCCCC#CCCCSCCC(=O)NC(C)C 62a_100000737564_200000047210 [0,2,0,0,0,0|0,0,2]=4 9079 B17R0.116 CCCCC#CCCCSCCC(=O)NC(C)C 62a_200000047210_100000737564 [0,2,0,0,0,0|0,0,2]=4 9080 B17R0.116 CCCCC/C=C\CCCOCC(=O)NC(C)C 34a_100020655193_100000183996 [0,2,0,0,0,0|0,0,2]=4 9081 B17R0.116 CCCCC/C=C\CCCOCC(=O)NC(C)C 7a_100020655193_100000183996 [0,2,0,0,0,0|0,0,2]=4 9082 B17R0.116 CCCCC/C=C\CCOCCC(=O)NC(C)C 7a_100016277358_100000737564 [0,2,0,0,0,0|0,0,2]=4 9083 B17R0.116 CCCCCC#CCCOCCC(=O)NC(C)C 7a_200000042877_100000737564 [0,2,0,0,0,0|0,0,2]=4 9084 B17R0.116 CCCCCC/C=C/COCCC(=O)NC(C)C 7a_200016276170_100000737564 [0,2,0,0,0,0|0,0,2]=4 9085 B17R0.116 CCCCCCC#CCCOCC(=O)NC(C)C 34a_200000033163_100000183996 [0,2,0,0,0,0|0,0,2]=4 9086 B17R0.116 CCCCCCC#CCCOCC(=O)NC(C)C 7a_200000033163_100000183996 [0,2,0,0,0,0|0,0,2]=4 9087 B17R0.116 CCCCCCC#CCOCCC(=O)NC(C)C 7a_200000037284_100000737564 [0,2,0,0,0,0|0,0,2]=4 9088 B17R0.116 CCCCCCCC#CCOCC(=O)NC(C)C 34a_200000061759_100000183996 [0,2,0,0,0,0|0,0,2]=4 9089 B17R0.116 CCCCCCCC#CCOCC(=O)NC(C)C 7a_200000061759_100000183996 [0,2,0,0,0,0|0,0,2]=4 9090 B17R0.116 CCCCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_100015291182 [0,2,0,0,0,0|0,0,1]=3 9091 B17R0.116 CCCCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_100015291182 [0,2,0,0,0,0|0,0,1]=3 9092 B17R0.116 CCCCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_100015291182 [0,2,0,0,0,0|0,0,1]=3 9093 B17R0.116 CCCCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000759014 [0,2,0,0,0,0|1,0,1]=4 9094 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000759014 [0,2,0,0,0,0|1,0,0]=3 9095 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)C 1458a_100011215791_100000210624 [0,2,0,0,0,0|1,0,0]=3 9096 B17R0.116 CCCCCCCCCCCCC(=O)CC(C)O 1458a_100011215791_100011218427 [0,2,0,0,0,0|1,0,0]=3 9097 B17R0.116 CCCCCCCCCCCCC(=O)CC(F)F 1458a_100011215791_100011934356 [0,2,0,0,0,0|2,0,0]=4 9098 B17R0.116 CCCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000759014 [0,2,0,0,0,0|2,0,0]=4 9099 B17R0.116 CCCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000759014 [0,2,0,0,0,0|1,0,0]=3 9100 B17R0.116 CCCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000759014 [0,2,0,0,0,0|2,0,0]=4 9101 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100011215791 [0,2,0,0,0,0|0,0,0]=2 9102 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100011215791 [0,2,0,0,0,0|0,0,0]=2 9103 B17R0.116 CCCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100011215791 [0,2,0,0,0,0|0,0,0]=2 9104 B17R0.116 CCCCCCCCCCCCC(C)NC(C)C 2230a_100138425928_200011217028 [0,2,0,0,0,0|1,0,1]=4 9105 B17R0.116 CCCCCCCCCCCCC(C)NC(C)C 34a_100138425928_200011217028 [0,2,0,0,0,0|1,0,1]=4 9106 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)C 11a_200011215754_100000211388 [0,2,0,0,0,0|1,0,1]=4 9107 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)C 1626a_200011215754_100000211388 [0,2,0,0,0,0|1,0,1]=4 9108 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)C 240690a_200011215754_100000211388 [0,2,0,0,0,0|1,0,1]=4 9109 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)Cl 11a_200011215754_200042562850 [0,2,0,0,0,0|1,0,1]=4 9110 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)Cl 1626a_200011215754_200042562850 [0,2,0,0,0,0|1,0,1]=4 9111 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)Cl 240690a_200011215754_200042562850 [0,2,0,0,0,0|1,0,1]=4 9112 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)I 11a_200011215754_100025716642 [0,2,0,0,0,0|1,0,1]=4 9113 B17R0.116 CCCCCCCCCCCNC(=O)C=C(C)I 1626a_200011215754_100025716642 [0,2,0,0,0,0|1,0,1]=4 9114 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 11a_200011215754_100000210554 [0,2,0,0,0,0|1,0,0]=3 9115 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 1626a_200011215754_100000210554 [0,2,0,0,0,0|1,0,0]=3 9116 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 240690a_200011215754_100000210554 [0,2,0,0,0,0|1,0,0]=3 9117 B17R0.116 CCCCCCCCCCCNC(=O)CC(C)C 527a_200011215754_100000210554 [0,2,0,0,0,0|1,0,0]=3 9118 B17R0.116 CCCCCCCCCCCNC(=O)CN(C)C 11a_200011215754_100000750896 [0,2,0,0,0,0|2,0,0]=4 9119 B17R0.116 CCCCCCCCCCCNC(=O)CN(C)C 240690a_200011215754_100000750896 [0,2,0,0,0,0|2,0,0]=4 9120 B17R0.116 CCCCCCCCCCCNC(=O)CN(C)C 527a_200011215754_100000750896 [0,2,0,0,0,0|2,0,0]=4 9121 B17R0.116 CCCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_200011215754_100011933948 [0,2,0,0,0,0|1,0,0]=3 9122 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 11a_200011215754_200159257847 [0,2,0,0,0,0|2,0,0]=4 9123 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 1626a_200011215754_200159257847 [0,2,0,0,0,0|2,0,0]=4 9124 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 240690a_200011215754_200159257847 [0,2,0,0,0,0|2,0,0]=4 9125 B17R0.116 CCCCCCCCCCCNC(=O)C[S+](C)C 527a_200011215754_200159257847 [0,2,0,0,0,0|2,0,0]=4 9126 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_200011215754 [0,2,0,0,0,0|0,0,0]=2 9127 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 2708a_200011215754_100138425928 [0,2,0,0,0,0|0,0,0]=2 9128 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_200011215754 [0,2,0,0,0,0|0,0,0]=2 9129 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_200011215754 [0,2,0,0,0,0|0,0,0]=2 9130 B17R0.116 CCCCCCCCCCCNC(=O)NC(C)C 512a_200011215754_100138425928 [0,2,0,0,0,0|0,0,0]=2 9131 B17R0.116 CCCCCCCCCCNCC(=O)NC(=O)N 2230a_100000684558_100000182717 [0,2,0,0,0,0|1,0,1]=4 9132 B17R0.116 CCCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210320 [0,2,0,0,0,0|0,0,0]=2 9133 B17R0.116 CCCCCCCCCCNCC(=O)NC(C)C 2230a_100000684558_100000183996 [0,2,0,0,0,0|0,0,0]=2 9134 B17R0.116 CCCCCCCCCCNCC(=O)NC(C)C 34a_100000684558_100000183996 [0,2,0,0,0,0|0,0,0]=2 9135 B17R0.116 CCCCCCCCCCNCC(=O)OC(C)C 2230a_100000684558_100011215430 [0,2,0,0,0,0|1,0,0]=3 9136 B17R0.116 CCCCCCCCCCNCC(=O)OC(C)C 34a_100000684558_100011215430 [0,2,0,0,0,0|1,0,0]=3 9137 B17R0.116 CCCCCCCCCCOCC(=O)NC(=O)C 7a_100000210711_100000183797 [0,2,0,0,0,0|0,0,1]=3 9138 B17R0.116 CCCCCCCCCCOCC(=O)NC(=O)N 7a_100000210711_100000182717 [0,2,0,0,0,0|1,0,1]=4 9139 B17R0.116 CCCCCCCCCCOCC(=O)NC(C)C 34a_100000210711_100000183996 [0,2,0,0,0,0|0,0,0]=2 9140 B17R0.116 CCCCCCCCCCOCC(=O)NC(C)C 7a_100000210711_100000183996 [0,2,0,0,0,0|0,0,0]=2 9141 B17R0.116 CCCCCCCCCCOCC(=O)OC(C)C 34a_100000210711_100011215430 [0,2,0,0,0,0|1,0,0]=3 9142 B17R0.116 CCCCCCCCCCOCC(=O)OC(C)C 7a_100000210711_100011215430 [0,2,0,0,0,0|1,0,0]=3 9143 B17R0.116 CCCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210320 [0,2,0,0,0,0|0,0,0]=2 9144 B17R0.116 CCCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210320 [0,2,0,0,0,0|1,0,0]=3 9145 B17R0.116 CCCCCCCCCNCCC(=O)NC(=O)N 2230a_100000212291_100000237605 [0,2,0,0,0,0|1,0,1]=4 9146 B17R0.116 CCCCCCCCCNCCC(=O)NC(C)C 2230a_100000212291_100000737564 [0,2,0,0,0,0|0,0,0]=2 9147 B17R0.116 CCCCCCCCCNCCC(=O)OC(C)C 2230a_100000212291_100000760027 [0,2,0,0,0,0|1,0,0]=3 9148 B17R0.116 CCCCCCCCCOCCC(=O)NC(=O)N 7a_100000210712_100000237605 [0,2,0,0,0,0|1,0,1]=4 9149 B17R0.116 CCCCCCCCCOCCC(=O)NC(C)C 7a_100000210712_100000737564 [0,2,0,0,0,0|0,0,0]=2 9150 B17R0.116 CCCCCCCCCOCCC(=O)OC(C)C 7a_100000210712_100000760027 [0,2,0,0,0,0|1,0,0]=3 9151 B17R0.116 CCCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210670 [0,2,0,0,0,0|0,0,0]=2 9152 B17R0.116 CCCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210670 [0,2,0,0,0,0|1,0,0]=3 9153 B17R0.116 CCCCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210670 [0,2,0,0,0,0|2,0,0]=4 9154 B17R0.116 CCCCCCNCCCCCC(=O)OC(C)C 2230a_100000210581_200010986244 [0,2,0,0,0,0|1,0,0]=3 9155 B17R0.116 CCCCCCOCCCCCC(=O)OC(C)C 34a_100000210259_200010986244 [0,2,0,0,0,0|1,0,0]=3 9156 B17R0.116 CCCCCCOCCCCCC(=O)OC(C)C 7a_100000210259_200010986244 [0,2,0,0,0,0|1,0,0]=3 9157 B17R0.116 CCCCCCOCCOCCC(=O)NC(C)C 7a_100000691444_100000737564 [0,2,0,0,0,0|1,0,0]=3 9158 B17R0.116 CCCCCCOCCOCCC(=O)OC(C)C 7a_100000691444_100000760027 [0,2,0,0,0,0|2,0,0]=4 9159 B17R0.116 CCCCCCSCCCCCC(=O)OC(C)C 62a_100000210314_200010986244 [0,2,0,0,0,0|1,0,0]=3 9160 B17R0.116 CCCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210757 [0,2,0,0,0,0|1,0,0]=3 9161 B17R0.116 CCCCOCCCCOCCC(=O)NC(C)C 7a_200000760531_100000737564 [0,2,0,0,0,0|1,0,0]=3 9162 B17R0.116 CCCCOCCCCOCCC(=O)OC(C)C 7a_200000760531_100000760027 [0,2,0,0,0,0|2,0,0]=4 9163 B17R0.116 CCCCOCCOCCOCC(=O)NC(C)C 34a_100011215186_100000183996 [0,2,0,0,0,0|2,0,0]=4 9164 B17R0.116 CCCCOCCOCCOCC(=O)NC(C)C 7a_100011215186_100000183996 [0,2,0,0,0,0|2,0,0]=4 9165 B17R0.116 CCCCOCSCCCCCC(=O)OC(C)C 62a_100011995733_200010986244 [0,2,0,0,0,0|2,0,0]=4 9166 B17R0.116 CCCCOCSCCCCCC(=O)OC(C)C 62a_200010986244_100011995733 [0,2,0,0,0,0|2,0,0]=4 9167 B17R0.116 CCCOCCNCCCCCC(=O)OC(C)C 2230a_100161115042_200010986244 [0,2,0,0,0,0|2,0,0]=4 9168 B17R0.116 CCCOCCNCCCCCC(=O)OC(C)C 34a_100161115042_200010986244 [0,2,0,0,0,0|2,0,0]=4 9169 B17R0.116 CCCOCCOCCCCCC(=O)OC(C)C 34a_100000752267_200010986244 [0,2,0,0,0,0|2,0,0]=4 9170 B17R0.116 CCCOCCOCCCCCC(=O)OC(C)C 7a_100000752267_200010986244 [0,2,0,0,0,0|2,0,0]=4 9171 B17R0.116 CCCOCCOCCNCCC(=O)NC(C)C 2230a_200011904461_100000737564 [0,2,0,0,0,0|2,0,0]=4 9172 B17R0.116 CCCOCCSCCCCCC(=O)OC(C)C 62a_100011215938_200010986244 [0,2,0,0,0,0|2,0,0]=4 9173 B17R0.116 CCCOCCSCCCCCC(=O)OC(C)C 62a_200010986244_100011215938 [0,2,0,0,0,0|2,0,0]=4 9174 B17R0.116 CCCSCCNCCCCCC(=O)OC(C)C 2230a_100020603323_200010986244 [0,2,0,0,0,0|2,0,0]=4 9175 B17R0.116 CCCSCCOCCCCCC(=O)OC(C)C 34a_200000230433_200010986244 [0,2,0,0,0,0|2,0,0]=4 9176 B17R0.116 CCCSCCOCCCCCC(=O)OC(C)C 7a_200000230433_200010986244 [0,2,0,0,0,0|2,0,0]=4 9177 B17R0.116 CCOCCCNCCCCCC(=O)OC(C)C 2230a_100000210961_200010986244 [0,2,0,0,0,0|2,0,0]=4 9178 B17R0.116 CCOCCCNCCCCCC(=O)OC(C)C 34a_100000210961_200010986244 [0,2,0,0,0,0|2,0,0]=4 9179 B17R0.116 CCOCCCOCCCCCC(=O)OC(C)C 34a_100000757476_200010986244 [0,2,0,0,0,0|2,0,0]=4 9180 B17R0.116 CCOCCCOCCCCCC(=O)OC(C)C 7a_100000757476_200010986244 [0,2,0,0,0,0|2,0,0]=4 9181 B17R0.116 CCOCCCSCCCCCC(=O)OC(C)C 62a_100012232248_200010986244 [0,2,0,0,0,0|2,0,0]=4 9182 B17R0.116 CCOCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100012232248 [0,2,0,0,0,0|2,0,0]=4 9183 B17R0.116 CCSCCCOCCCCCC(=O)OC(C)C 34a_100011216438_200010986244 [0,2,0,0,0,0|2,0,0]=4 9184 B17R0.116 CCSCCCOCCCCCC(=O)OC(C)C 7a_100011216438_200010986244 [0,2,0,0,0,0|2,0,0]=4 9185 B17R0.116 CN(C)CC(=O)CCCCCCCCCCCO 1458a_100000750896_100009812471 [0,2,0,0,0,0|2,0,0]=4 9186 B17R0.116 COCCCCOCCCCCC(=O)OC(C)C 34a_100000740925_200010986244 [0,2,0,0,0,0|2,0,0]=4 9187 B17R0.116 COCCCCSCCCCCC(=O)OC(C)C 62a_100000730899_200010986244 [0,2,0,0,0,0|2,0,0]=4 9188 B17R0.116 COCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000730899 [0,2,0,0,0,0|2,0,0]=4 9189 B17R0.116 COCCCOCCCOCCC(=O)NC(C)C 7a_200011215475_100000737564 [0,2,0,0,0,0|2,0,0]=4 9190 B17R0.116 CSCCCCOCCCCCC(=O)OC(C)C 34a_100011217163_200010986244 [0,2,0,0,0,0|2,0,0]=4 9191 B17R0.116 CSCCCCOCCCCCC(=O)OC(C)C 7a_100011217163_200010986244 [0,2,0,0,0,0|2,0,0]=4 9192 B17R0.116 C[C@@H](O)CC(=O)CCCCCCCCCCCO 1458a_100011933948_100009812471 [0,2,0,0,0,0|1,0,0]=3 9193 B17R0.116 C[C@@H](O)CC(=O)NCCCCCCCCCCO 240690a_100000066964_100011933948 [0,2,0,0,0,0|2,0,0]=4 9194 B17R0.116 C[S+](C)CC(=O)CCCCCCCCCCCO 1458a_200159257847_100009812471 [0,2,0,0,0,0|2,0,0]=4 9195 B17R0.196 C#CCCC(=O)CCCCCCCCCCCC 1458a_100000692101_100000759014 [0,2,0,0,0,0|1,0,1]=4 9196 B17R0.196 C#CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000753159 [0,2,0,0,0,0|1,0,1]=4 9197 B17R0.196 C#CCCC(=O)CCCCCCCCCCCO 1458a_100000692101_100009812471 [0,2,0,0,0,0|1,0,1]=4 9198 B17R0.196 C#CCCC(=O)CCOCCCCCCCCC 34a_100011064465_100011214924 [0,2,0,0,0,0|1,0,1]=4 9199 B17R0.196 C#CCCC(=O)CCOCCCCCCCCC 7a_100011064465_100000210328 [0,2,0,0,0,0|1,0,1]=4 9200 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000692101 [0,2,0,0,0,0|1,0,1]=4 9201 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000692101 [0,2,0,0,0,0|1,0,1]=4 9202 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000692101 [0,2,0,0,0,0|1,0,1]=4 9203 B17R0.196 C#CCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000692101 [0,2,0,0,0,0|1,0,1]=4 9204 B17R0.196 C#CCCCCCCCCOCC(=O)NCCC 34a_100000065265_100000183358 [0,2,0,0,0,0|0,0,2]=4 9205 B17R0.196 C#CCCCCCCCCOCC(=O)NCCC 7a_100000065265_100000183358 [0,2,0,0,0,0|0,0,2]=4 9206 B17R0.196 C#CCCCCCCOCCCC(=O)NCCC 7a_100011217361_100011194427 [0,2,0,0,0,0|0,0,2]=4 9207 B17R0.196 C#CCCCCCCSCCCC(=O)NCCC 62a_100011194427_100012276617 [0,2,0,0,0,0|0,0,2]=4 9208 B17R0.196 C#CCCCCCCSCCCC(=O)NCCC 62a_100012276617_100011194427 [0,2,0,0,0,0|0,0,2]=4 9209 B17R0.196 C#CCNC(=O)C=CCCCCCCCCCC 11a_100000212058_100015291182 [0,2,0,0,0,0|0,0,2]=4 9210 B17R0.196 C#CCNC(=O)C=CCCCCCCCCCC 1626a_100000212058_100015291182 [0,2,0,0,0,0|0,0,2]=4 9211 B17R0.196 C#CCNC(=O)C=CCCCCCCCCCC 240690a_100000212058_100015291182 [0,2,0,0,0,0|0,0,2]=4 9212 B17R0.196 C#CCNC(=O)CCCCCCCCCCCC 11a_100000212058_100011215791 [0,2,0,0,0,0|0,0,1]=3 9213 B17R0.196 C#CCNC(=O)CCCCCCCCCCCC 1626a_100000212058_100011215791 [0,2,0,0,0,0|0,0,1]=3 9214 B17R0.196 C#CCNC(=O)CCCCCCCCCCCC 240690a_100000212058_100011215791 [0,2,0,0,0,0|0,0,1]=3 9215 B17R0.196 C#CCNC(=O)CCCCCCCCCCCO 240690a_100000212058_100000037981 [0,2,0,0,0,0|0,0,1]=3 9216 B17R0.196 C#CCNC(=O)CNCCCCCCCCCC 2230a_100000747989_100000210320 [0,2,0,0,0,0|0,0,1]=3 9217 B17R0.196 C#CCNC(=O)CNCCCCCCCCCC 34a_100000747989_100000210320 [0,2,0,0,0,0|0,0,1]=3 9218 B17R0.196 C#CCNC(=O)CNCCCCCCCCCO 2230a_100000747989_100009813782 [0,2,0,0,0,0|1,0,1]=4 9219 B17R0.196 C#CCNC(=O)CNCCCCCCCCCO 34a_100000747989_100009813782 [0,2,0,0,0,0|1,0,1]=4 9220 B17R0.196 C#CCNC(=O)NCCCCCCCCCCC 2708a_100000212058_200011215754 [0,2,0,0,0,0|0,0,1]=3 9221 B17R0.196 C#CCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100000212058 [0,2,0,0,0,0|0,0,1]=3 9222 B17R0.196 C#CCNC(=O)NCCCCCCCCCCC 273464a_100000212058_200011215754 [0,2,0,0,0,0|0,0,1]=3 9223 B17R0.196 C#CCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100000212058 [0,2,0,0,0,0|0,0,1]=3 9224 B17R0.196 C#CCNC(=O)NCCCCCCCCCCC 512a_100000212058_200011215754 [0,2,0,0,0,0|0,0,1]=3 9225 B17R0.196 C#CCNC(=O)NCCCCCCCCCCC 512a_200011215754_100000212058 [0,2,0,0,0,0|0,0,1]=3 9226 B17R0.196 C#CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000212058 [0,2,0,0,0,0|1,0,1]=4 9227 B17R0.196 C#CCNC(=O)NCCCCCCCCCCO 2708a_100000212058_100000066964 [0,2,0,0,0,0|1,0,1]=4 9228 B17R0.196 C#CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000212058 [0,2,0,0,0,0|1,0,1]=4 9229 B17R0.196 C#CCNC(=O)NCCCCCCCCCCO 273464a_100000212058_100000066964 [0,2,0,0,0,0|1,0,1]=4 9230 B17R0.196 C#CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000212058 [0,2,0,0,0,0|1,0,1]=4 9231 B17R0.196 C#CCNC(=O)NCCCCCCCCCCO 512a_100000212058_100000066964 [0,2,0,0,0,0|1,0,1]=4 9232 B17R0.196 C/C=C/CC(=O)CCCCCCCCCCCC 1458a_100011215791_100102629194 [0,2,0,0,0,0|1,0,1]=4 9233 B17R0.196 C=C(CNCCCCCCCCCC)OCOC 34a_100000684558_100000042856 [0,2,0,0,0,0|2,0,0]=4 9234 B17R0.196 C=C(COCCCCCCCCCC)OCOC 34a_100000210711_100000042856 [0,2,0,0,0,0|2,0,0]=4 9235 B17R0.196 C=C(CSCCCCCCCCCC)OCOC 62a_100000042856_100000210320 [0,2,0,0,0,0|2,0,0]=4 9236 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100000749702_100000759014 [0,2,0,0,0,0|1,0,1]=4 9237 B17R0.196 C=CCCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000754431 [0,2,0,0,0,0|1,0,1]=4 9238 B17R0.196 C=CCCC(=O)CCCCCCCCCCCO 1458a_100000749702_100009812471 [0,2,0,0,0,0|1,0,1]=4 9239 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 11a_200011215754_100000749702 [0,2,0,0,0,0|1,0,1]=4 9240 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 1626a_200011215754_100000749702 [0,2,0,0,0,0|1,0,1]=4 9241 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 240690a_200011215754_100000749702 [0,2,0,0,0,0|1,0,1]=4 9242 B17R0.196 C=CCCC(=O)NCCCCCCCCCCC 527a_200011215754_100000749702 [0,2,0,0,0,0|1,0,1]=4 9243 B17R0.196 C=CCCCCCCCCCCC(=O)C#CCC 1458a_100011827653_100011093070 [0,2,0,0,0,0|1,0,1]=4 9244 B17R0.196 C=CCCCCCCCCCCC(=O)C=CCC 1458a_100000212282_100011093070 [0,2,0,0,0,0|1,0,1]=4 9245 B17R0.196 C=CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011093070 [0,2,0,0,0,0|1,0,1]=4 9246 B17R0.196 C=CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011093070 [0,2,0,0,0,0|1,0,1]=4 9247 B17R0.196 C=CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011093070 [0,2,0,0,0,0|1,0,1]=4 9248 B17R0.196 C=CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011093070 [0,2,0,0,0,0|1,0,1]=4 9249 B17R0.196 C=CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011093070 [0,2,0,0,0,0|1,0,1]=4 9250 B17R0.196 C=CCCCCCCCCCNC(=O)NCCC 2708a_100000081888_100020643023 [0,2,0,0,0,0|0,0,2]=4 9251 B17R0.196 C=CCCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000081888 [0,2,0,0,0,0|0,0,2]=4 9252 B17R0.196 C=CCCCCCCCCCNC(=O)NCCC 273464a_100000081888_100020643023 [0,2,0,0,0,0|0,0,2]=4 9253 B17R0.196 C=CCCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000081888 [0,2,0,0,0,0|0,0,2]=4 9254 B17R0.196 C=CCCCCCCCCCNC(=O)NCCC 512a_100000081888_100020643023 [0,2,0,0,0,0|0,0,2]=4 9255 B17R0.196 C=CCCCCCCCCCNC(=O)NCCC 512a_100020643023_100000081888 [0,2,0,0,0,0|0,0,2]=4 9256 B17R0.196 C=CCCCCCCCCCNC(=O)NCCF 2708a_100000081888_100000724931 [0,2,0,0,0,0|0,0,2]=4 9257 B17R0.196 C=CCCCCCCCCCNC(=O)NCCF 273464a_100000081888_100000724931 [0,2,0,0,0,0|0,0,2]=4 9258 B17R0.196 C=CCCCCCCCCCNC(=O)NCCF 273464a_100000724931_100000081888 [0,2,0,0,0,0|0,0,2]=4 9259 B17R0.196 C=CCCCCCCCCCNC(=O)NCCF 512a_100000081888_100000724931 [0,2,0,0,0,0|0,0,2]=4 9260 B17R0.196 C=CCCCCCCCCCNC(=O)NCCO 2708a_100000081888_100000210304 [0,2,0,0,0,0|0,0,2]=4 9261 B17R0.196 C=CCCCCCCCCCNC(=O)NCCO 273464a_100000081888_100000210304 [0,2,0,0,0,0|0,0,2]=4 9262 B17R0.196 C=CCCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000081888 [0,2,0,0,0,0|0,0,2]=4 9263 B17R0.196 C=CCCCCCCCCCNC(=O)NCCO 512a_100000081888_100000210304 [0,2,0,0,0,0|0,0,2]=4 9264 B17R0.196 C=CCCCCCCCCCNC(=O)NNCC 273464a_100000081888_100000756455 [0,2,0,0,0,0|0,0,2]=4 9265 B17R0.196 C=CCCCCCCCCCNC(=O)NNCC 512a_100000081888_100000756455 [0,2,0,0,0,0|0,0,2]=4 9266 B17R0.196 C=CCCCCCCCCCNC(=O)NNCC 512a_100000756455_100000081888 [0,2,0,0,0,0|0,0,2]=4 9267 B17R0.196 C=CCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100011933949 [0,2,0,0,0,0|0,0,2]=4 9268 B17R0.196 C=CCCCCCCCCNCC(=O)NCCF 2230a_100000725713_100011933949 [0,2,0,0,0,0|0,0,2]=4 9269 B17R0.196 C=CCCCCCCCCOCC(=O)NCCC 34a_100011215194_100000183358 [0,2,0,0,0,0|0,0,2]=4 9270 B17R0.196 C=CCCCCCCCCOCC(=O)NCCC 7a_100011215194_100000183358 [0,2,0,0,0,0|0,0,2]=4 9271 B17R0.196 C=CCCCCCCCCSCC(=O)NCCC 62a_100000183358_100011933949 [0,2,0,0,0,0|0,0,2]=4 9272 B17R0.196 C=CCCCCCCCCSCC(=O)NCCC 62a_100011933949_100000183358 [0,2,0,0,0,0|0,0,2]=4 9273 B17R0.196 C=CCCCCCCOCCCC(=O)NCCC 7a_200011216477_100011194427 [0,2,0,0,0,0|0,0,2]=4 9274 B17R0.196 C=CCCCCCCSCCCC(=O)NCCC 62a_100011194427_100011215473 [0,2,0,0,0,0|0,0,2]=4 9275 B17R0.196 C=CCCCCCCSCCCC(=O)NCCC 62a_100011215473_100011194427 [0,2,0,0,0,0|0,0,2]=4 9276 B17R0.196 C=CCNC(=O)C=CCCCCCCCCCC 1626a_100020586998_100015291182 [0,2,0,0,0,0|0,0,2]=4 9277 B17R0.196 C=CCNC(=O)C=CCCCCCCCCCC 240690a_100020586998_100015291182 [0,2,0,0,0,0|0,0,2]=4 9278 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC 1626a_100020586998_100011215791 [0,2,0,0,0,0|0,0,1]=3 9279 B17R0.196 C=CCNC(=O)CCCCCCCCCCCC 240690a_100020586998_100011215791 [0,2,0,0,0,0|0,0,1]=3 9280 B17R0.196 C=CCNC(=O)CCCCCCCCCCCO 240690a_100020586998_100000037981 [0,2,0,0,0,0|0,0,1]=3 9281 B17R0.196 C=CCNC(=O)CCNCCCCCCCCC 2230a_100000212291_100011222895 [0,2,0,0,0,0|0,0,1]=3 9282 B17R0.196 C=CCNC(=O)CCNCCCCCCCCO 2230a_102515433106_100011222895 [0,2,0,0,0,0|1,0,1]=4 9283 B17R0.196 C=CCNC(=O)CCOCCCCCCCCBr 7a_100009813846_100011222895 [0,2,0,0,0,0|1,0,1]=4 9284 B17R0.196 C=CCNC(=O)CCOCCCCCCCCC 7a_100000210712_100011222895 [0,2,0,0,0,0|0,0,1]=3 9285 B17R0.196 C=CCNC(=O)CCOCCCCCCCCCl 7a_100000033203_100011222895 [0,2,0,0,0,0|1,0,1]=4 9286 B17R0.196 C=CCNC(=O)CCOCCCCOCCCC 7a_200000760531_100011222895 [0,2,0,0,0,0|1,0,1]=4 9287 B17R0.196 C=CCNC(=O)CCOCCOCCCCCC 7a_100000691444_100011222895 [0,2,0,0,0,0|1,0,1]=4 9288 B17R0.196 C=CCNC(=O)CCSCCCCCCCCC 62a_100011222895_100000210670 [0,2,0,0,0,0|0,0,1]=3 9289 B17R0.196 C=CCNC(=O)CCSCCCCCCCCO 62a_100000033203_100011222895 [0,2,0,0,0,0|1,0,1]=4 9290 B17R0.196 C=CCNC(=O)CCSCCCCCCCCO 62a_100011222895_100000033203 [0,2,0,0,0,0|1,0,1]=4 9291 B17R0.196 C=CCNC(=O)CNCCCCCCCCCC 2230a_100000684558_100000183597 [0,2,0,0,0,0|0,0,1]=3 9292 B17R0.196 C=CCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183597 [0,2,0,0,0,0|1,0,1]=4 9293 B17R0.196 C=CCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183597 [0,2,0,0,0,0|1,0,1]=4 9294 B17R0.196 C=CCNC(=O)COCCCCCCCCCC 7a_100000210711_100000183597 [0,2,0,0,0,0|0,0,1]=3 9295 B17R0.196 C=CCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183597 [0,2,0,0,0,0|1,0,1]=4 9296 B17R0.196 C=CCNC(=O)CSCCCCCCCCCC 62a_100000183597_100000210320 [0,2,0,0,0,0|0,0,1]=3 9297 B17R0.196 C=CCNC(=O)CSCCCCCCCCCO 62a_100000183597_100009813782 [0,2,0,0,0,0|1,0,1]=4 9298 B17R0.196 C=CCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183597 [0,2,0,0,0,0|1,0,1]=4 9299 B17R0.196 C=CCNC(=O)NCCCCCCCCCCC 2708a_200011215754_100020586998 [0,2,0,0,0,0|0,0,1]=3 9300 B17R0.196 C=CCNC(=O)NCCCCCCCCCCC 273464a_100020586998_200011215754 [0,2,0,0,0,0|0,0,1]=3 9301 B17R0.196 C=CCNC(=O)NCCCCCCCCCCC 273464a_200011215754_100020586998 [0,2,0,0,0,0|0,0,1]=3 9302 B17R0.196 C=CCNC(=O)NCCCCCCCCCCC 512a_100020586998_200011215754 [0,2,0,0,0,0|0,0,1]=3 9303 B17R0.196 C=CCNC(=O)NCCCCCCCCCCC 512a_200011215754_100020586998 [0,2,0,0,0,0|0,0,1]=3 9304 B17R0.196 C=CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020586998 [0,2,0,0,0,0|1,0,1]=4 9305 B17R0.196 C=CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020586998 [0,2,0,0,0,0|1,0,1]=4 9306 B17R0.196 C=CCNC(=O)NCCCCCCCCCCO 273464a_100020586998_100000066964 [0,2,0,0,0,0|1,0,1]=4 9307 B17R0.196 C=CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100020586998 [0,2,0,0,0,0|1,0,1]=4 9308 B17R0.196 C=CCNC(=O)NCCCCCCCCCCO 512a_100020586998_100000066964 [0,2,0,0,0,0|1,0,1]=4 9309 B17R0.196 C=CCOC(=O)CNCCCCCCCCCC 2230a_100000684558_100000033060 [0,2,0,0,0,0|1,0,1]=4 9310 B17R0.196 C=CCOC(=O)CNCCCCCCCCCC 34a_100000684558_100000033060 [0,2,0,0,0,0|1,0,1]=4 9311 B17R0.196 C=CCOC(=O)COCCCCCCCCCC 34a_100000210711_100000033060 [0,2,0,0,0,0|1,0,1]=4 9312 B17R0.196 C=CCOC(=O)COCCCCCCCCCC 7a_100000210711_100000033060 [0,2,0,0,0,0|1,0,1]=4 9313 B17R0.196 C=CCOC(=O)CSCCCCCCCCCC 62a_100000033060_100000210320 [0,2,0,0,0,0|1,0,1]=4 9314 B17R0.196 CC#CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000748600 [0,2,0,0,0,0|1,0,1]=4 9315 B17R0.196 CC/C=C\CCCCOCCCC(=O)NCCC 7a_100016287862_100011194427 [0,2,0,0,0,0|0,0,2]=4 9316 B17R0.196 CC=CCC(=O)CCCCCCCCCCCC 1458a_100011215791_100000070051 [0,2,0,0,0,0|1,0,1]=4 9317 B17R0.196 CC=CCC(=O)CCCCCCCCCCCC 1458a_100121576822_100000759014 [0,2,0,0,0,0|1,0,1]=4 9318 B17R0.196 CC=CCC(=O)CCCCCCCCCCCO 1458a_100121576822_100009812471 [0,2,0,0,0,0|1,0,1]=4 9319 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 11a_200011215754_100121576822 [0,2,0,0,0,0|1,0,1]=4 9320 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 1626a_200011215754_100121576822 [0,2,0,0,0,0|1,0,1]=4 9321 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 240690a_200011215754_100121576822 [0,2,0,0,0,0|1,0,1]=4 9322 B17R0.196 CC=CCC(=O)NCCCCCCCCCCC 527a_200011215754_100121576822 [0,2,0,0,0,0|1,0,1]=4 9323 B17R0.196 CCC#CC(=O)CCCCCCC#CCCCC 1458a_100011827653_200000043322 [0,2,0,0,0,0|1,0,1]=4 9324 B17R0.196 CCC#CC(=O)CCCCCCCCCCCC 1458a_100011827653_100000759014 [0,2,0,0,0,0|1,0,0]=3 9325 B17R0.196 CCC#CC(=O)CCCCCCCCCCCO 1458a_100011827653_100009812471 [0,2,0,0,0,0|1,0,0]=3 9326 B17R0.196 CCC#CCCCCCCNCC(=O)NCCC 2230a_100000174927_200000036426 [0,2,0,0,0,0|0,0,2]=4 9327 B17R0.196 CCC#CCCCCCCNCC(=O)NCCF 2230a_100000725713_200000036426 [0,2,0,0,0,0|0,0,2]=4 9328 B17R0.196 CCC#CCCCCCCSCC(=O)NCCC 62a_100000183358_200000036426 [0,2,0,0,0,0|0,0,2]=4 9329 B17R0.196 CCC#CCCCCCCSCC(=O)NCCC 62a_200000036426_100000183358 [0,2,0,0,0,0|0,0,2]=4 9330 B17R0.196 CCC=CC(=O)CCCCCCC#CCCCC 1458a_100000212282_200000043322 [0,2,0,0,0,0|1,0,1]=4 9331 B17R0.196 CCC=CC(=O)CCCCCCCCCCCC 1458a_100000212282_100000759014 [0,2,0,0,0,0|1,0,0]=3 9332 B17R0.196 CCC=CC(=O)CCCCCCCCCCCO 1458a_100000212282_100009812471 [0,2,0,0,0,0|1,0,0]=3 9333 B17R0.196 CCC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000212282 [0,2,0,0,0,0|1,0,0]=3 9334 B17R0.196 CCC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000212282 [0,2,0,0,0,0|1,0,0]=3 9335 B17R0.196 CCC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000212282 [0,2,0,0,0,0|1,0,0]=3 9336 B17R0.196 CCC=CC(=O)NCCCCCCCCCCO 240690a_100000066964_100000212282 [0,2,0,0,0,0|2,0,0]=4 9337 B17R0.196 CCCC/C=C/CCCCOCC(=O)NCCC 34a_200020645093_100000183358 [0,2,0,0,0,0|0,0,2]=4 9338 B17R0.196 CCCC/C=C/CCCCOCC(=O)NCCC 7a_200020645093_100000183358 [0,2,0,0,0,0|0,0,2]=4 9339 B17R0.196 CCCC/C=C\CCOCCCC(=O)NCCC 7a_200016286491_100011194427 [0,2,0,0,0,0|0,0,2]=4 9340 B17R0.196 CCCCC#CCCCCCCC(=O)CCCC 1458a_100000210183_200000043322 [0,2,0,0,0,0|1,0,1]=4 9341 B17R0.196 CCCCC#CCCCCCCC(=O)CCOC 1458a_100000749529_200000043322 [0,2,0,0,0,0|1,0,1]=4 9342 B17R0.196 CCCCC#CCCCCCCC(=O)CCSC 1458a_100000174002_200000043322 [0,2,0,0,0,0|1,0,1]=4 9343 B17R0.196 CCCCC#CCCCCCCC(=O)COCC 1458a_100000211967_200000043322 [0,2,0,0,0,0|1,0,1]=4 9344 B17R0.196 CCCCC#CCCCCCCC(=O)CSCC 1458a_100000230394_200000043322 [0,2,0,0,0,0|1,0,1]=4 9345 B17R0.196 CCCCC#CCCCCOCC(=O)NCCC 34a_200000066234_100000183358 [0,2,0,0,0,0|0,0,2]=4 9346 B17R0.196 CCCCC#CCCCCOCC(=O)NCCC 7a_200000066234_100000183358 [0,2,0,0,0,0|0,0,2]=4 9347 B17R0.196 CCCCC#CCCOCCCC(=O)NCCC 7a_100000037610_100011194427 [0,2,0,0,0,0|0,0,2]=4 9348 B17R0.196 CCCCC(=O)CCCCCCCCCCCO 1458a_100000210183_100009812471 [0,2,0,0,0,0|1,0,0]=3 9349 B17R0.196 CCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000210183 [0,2,0,0,0,0|2,0,0]=4 9350 B17R0.196 CCCCC/C=C/COCCCC(=O)NCCC 7a_100016258190_100011194427 [0,2,0,0,0,0|0,0,2]=4 9351 B17R0.196 CCCCC/C=C\CCCOCC(=O)NCCC 34a_100020655193_100000183358 [0,2,0,0,0,0|0,0,2]=4 9352 B17R0.196 CCCCC/C=C\CCCOCC(=O)NCCC 7a_100020655193_100000183358 [0,2,0,0,0,0|0,0,2]=4 9353 B17R0.196 CCCCCC#CCOCCCC(=O)NCCC 7a_200000033628_100011194427 [0,2,0,0,0,0|0,0,2]=4 9354 B17R0.196 CCCCCC#CCSCCCC(=O)NCCC 62a_100009816472_100011194427 [0,2,0,0,0,0|0,0,2]=4 9355 B17R0.196 CCCCCC#CCSCCCC(=O)NCCC 62a_100011194427_100009816472 [0,2,0,0,0,0|0,0,2]=4 9356 B17R0.196 CCCCCC/C=C\CCCCC(=NNCC)C 4a_100000756455_100020676974 [0,2,0,0,0,0|1,0,1]=4 9357 B17R0.196 CCCCCCC#CCCOCC(=O)NCCC 34a_200000033163_100000183358 [0,2,0,0,0,0|0,0,2]=4 9358 B17R0.196 CCCCCCC#CCCOCC(=O)NCCC 7a_200000033163_100000183358 [0,2,0,0,0,0|0,0,2]=4 9359 B17R0.196 CCCCCCCC#CCOCC(=O)NCCC 34a_200000061759_100000183358 [0,2,0,0,0,0|0,0,2]=4 9360 B17R0.196 CCCCCCCC#CCOCC(=O)NCCC 7a_200000061759_100000183358 [0,2,0,0,0,0|0,0,2]=4 9361 B17R0.196 CCCCCCCCCCC=CC(=O)NCC#N 1626a_100000734998_100015291182 [0,2,0,0,0,0|0,0,2]=4 9362 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 11a_100020643023_100015291182 [0,2,0,0,0,0|0,0,1]=3 9363 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 1626a_100020643023_100015291182 [0,2,0,0,0,0|0,0,1]=3 9364 B17R0.196 CCCCCCCCCCC=CC(=O)NCCC 240690a_100020643023_100015291182 [0,2,0,0,0,0|0,0,1]=3 9365 B17R0.196 CCCCCCCCCCC=CC(=O)NCCF 11a_100000724931_100015291182 [0,2,0,0,0,0|0,0,1]=3 9366 B17R0.196 CCCCCCCCCCC=CC(=O)NCCF 1626a_100000724931_100015291182 [0,2,0,0,0,0|0,0,1]=3 9367 B17R0.196 CCCCCCCCCCC=CC(=O)NCCF 240690a_100000724931_100015291182 [0,2,0,0,0,0|0,0,1]=3 9368 B17R0.196 CCCCCCCCCCC=CC(=O)NCCO 240690a_100000210304_100015291182 [0,2,0,0,0,0|0,0,1]=3 9369 B17R0.196 CCCCCCCCCCC=CC(=O)NNCC 22a_100000756455_100015291182 [0,2,0,0,0,0|0,0,1]=3 9370 B17R0.196 CCCCCCCCCCCCC(=NNCC)C 4a_100000756455_100011219199 [0,2,0,0,0,0|1,0,0]=3 9371 B17R0.196 CCCCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000759014 [0,2,0,0,0,0|1,0,1]=4 9372 B17R0.196 CCCCCCCCCCCCC(=O)C=COC 1458a_100016268678_100000759014 [0,2,0,0,0,0|1,0,1]=4 9373 B17R0.196 CCCCCCCCCCCCC(=O)CCC#N 1458a_100011215791_100011215226 [0,2,0,0,0,0|1,0,1]=4 9374 B17R0.196 CCCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000759014 [0,2,0,0,0,0|1,0,1]=4 9375 B17R0.196 CCCCCCCCCCCCC(=O)CCCF 1458a_100011215791_100011934791 [0,2,0,0,0,0|1,0,0]=3 9376 B17R0.196 CCCCCCCCCCCCC(=O)CCCO 1458a_100011215791_100011215043 [0,2,0,0,0,0|1,0,0]=3 9377 B17R0.196 CCCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000759014 [0,2,0,0,0,0|1,0,0]=3 9378 B17R0.196 CCCCCCCCCCCCC(=O)CCOC 1458a_100011215791_100000233755 [0,2,0,0,0,0|1,0,0]=3 9379 B17R0.196 CCCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000759014 [0,2,0,0,0,0|1,0,0]=3 9380 B17R0.196 CCCCCCCCCCCCC(=O)CCSC 1458a_100011215791_100000751147 [0,2,0,0,0,0|1,0,0]=3 9381 B17R0.196 CCCCCCCCCCCCC(=O)COCC 1458a_100000211967_100000759014 [0,2,0,0,0,0|1,0,0]=3 9382 B17R0.196 CCCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000759014 [0,2,0,0,0,0|1,0,0]=3 9383 B17R0.196 CCCCCCCCCCCCC(=O)NCC#N 1626a_100000734998_100011215791 [0,2,0,0,0,0|0,0,1]=3 9384 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 11a_100020643023_100011215791 [0,2,0,0,0,0|0,0,0]=2 9385 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100011215791 [0,2,0,0,0,0|0,0,0]=2 9386 B17R0.196 CCCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100011215791 [0,2,0,0,0,0|0,0,0]=2 9387 B17R0.196 CCCCCCCCCCCCC(=O)NCCF 11a_100000724931_100011215791 [0,2,0,0,0,0|0,0,0]=2 9388 B17R0.196 CCCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100011215791 [0,2,0,0,0,0|0,0,0]=2 9389 B17R0.196 CCCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100011215791 [0,2,0,0,0,0|0,0,0]=2 9390 B17R0.196 CCCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100011215791 [0,2,0,0,0,0|0,0,0]=2 9391 B17R0.196 CCCCCCCCCCCCC(=O)NNCC 22a_100000756455_100011215791 [0,2,0,0,0,0|0,0,0]=2 9392 B17R0.196 CCCCCCCCCCCCC(C)NCCC 270004a_100020643023_100011219199 [0,2,0,0,0,0|1,0,1]=4 9393 B17R0.196 CCCCCCCCCCCCC(C)NCCF 34a_100000724931_200011217028 [0,2,0,0,0,0|1,0,1]=4 9394 B17R0.196 CCCCCCCCCCCCC(C)NCCO 2230a_100016997473_200011217028 [0,2,0,0,0,0|1,0,1]=4 9395 B17R0.196 CCCCCCCCCCCCC(C)NCCO 270004a_100000210304_100011219199 [0,2,0,0,0,0|1,0,1]=4 9396 B17R0.196 CCCCCCCCCCCCC(C)NCCO 34a_100016990907_200011217028 [0,2,0,0,0,0|1,0,1]=4 9397 B17R0.196 CCCCCCCCCCCNC(=O)C=COC 1626a_200011215754_100016268678 [0,2,0,0,0,0|1,0,1]=4 9398 B17R0.196 CCCCCCCCCCCNC(=O)C=COC 240690a_200011215754_100016268678 [0,2,0,0,0,0|1,0,1]=4 9399 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 11a_200011215754_100011934036 [0,2,0,0,0,0|1,0,1]=4 9400 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 1626a_200011215754_100011934036 [0,2,0,0,0,0|1,0,1]=4 9401 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 240690a_200011215754_100011934036 [0,2,0,0,0,0|1,0,1]=4 9402 B17R0.196 CCCCCCCCCCCNC(=O)CCC#N 527a_200011215754_100011934036 [0,2,0,0,0,0|1,0,1]=4 9403 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 11a_200011215754_100000210183 [0,2,0,0,0,0|1,0,0]=3 9404 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 1626a_200011215754_100000210183 [0,2,0,0,0,0|1,0,0]=3 9405 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 240690a_200011215754_100000210183 [0,2,0,0,0,0|1,0,0]=3 9406 B17R0.196 CCCCCCCCCCCNC(=O)CCCC 527a_200011215754_100000210183 [0,2,0,0,0,0|1,0,0]=3 9407 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 11a_200011215754_100000749529 [0,2,0,0,0,0|1,0,0]=3 9408 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 1626a_200011215754_100000749529 [0,2,0,0,0,0|1,0,0]=3 9409 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 240690a_200011215754_100000749529 [0,2,0,0,0,0|1,0,0]=3 9410 B17R0.196 CCCCCCCCCCCNC(=O)CCOC 527a_200011215754_100000749529 [0,2,0,0,0,0|1,0,0]=3 9411 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 11a_200011215754_100000174002 [0,2,0,0,0,0|1,0,0]=3 9412 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 1626a_200011215754_100000174002 [0,2,0,0,0,0|1,0,0]=3 9413 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 240690a_200011215754_100000174002 [0,2,0,0,0,0|1,0,0]=3 9414 B17R0.196 CCCCCCCCCCCNC(=O)CCSC 527a_200011215754_100000174002 [0,2,0,0,0,0|1,0,0]=3 9415 B17R0.196 CCCCCCCCCCCNC(=O)COCC 11a_200011215754_100000211967 [0,2,0,0,0,0|1,0,0]=3 9416 B17R0.196 CCCCCCCCCCCNC(=O)COCC 1626a_200011215754_100000211967 [0,2,0,0,0,0|1,0,0]=3 9417 B17R0.196 CCCCCCCCCCCNC(=O)COCC 240690a_200011215754_100000211967 [0,2,0,0,0,0|1,0,0]=3 9418 B17R0.196 CCCCCCCCCCCNC(=O)COCC 527a_200011215754_100000211967 [0,2,0,0,0,0|1,0,0]=3 9419 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 11a_200011215754_100000230394 [0,2,0,0,0,0|1,0,0]=3 9420 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 1626a_200011215754_100000230394 [0,2,0,0,0,0|1,0,0]=3 9421 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 240690a_200011215754_100000230394 [0,2,0,0,0,0|1,0,0]=3 9422 B17R0.196 CCCCCCCCCCCNC(=O)CSCC 527a_200011215754_100000230394 [0,2,0,0,0,0|1,0,0]=3 9423 B17R0.196 CCCCCCCCCCCNC(=O)NCC#N 2708a_100000734998_200011215754 [0,2,0,0,0,0|0,0,1]=3 9424 B17R0.196 CCCCCCCCCCCNC(=O)NCC#N 273464a_100000734998_200011215754 [0,2,0,0,0,0|0,0,1]=3 9425 B17R0.196 CCCCCCCCCCCNC(=O)NCC#N 273464a_200011215754_100000734998 [0,2,0,0,0,0|0,0,1]=3 9426 B17R0.196 CCCCCCCCCCCNC(=O)NCC#N 512a_100000734998_200011215754 [0,2,0,0,0,0|0,0,1]=3 9427 B17R0.196 CCCCCCCCCCCNC(=O)NCC#N 512a_200011215754_100000734998 [0,2,0,0,0,0|0,0,1]=3 9428 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 2708a_100020643023_200011215754 [0,2,0,0,0,0|0,0,0]=2 9429 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 2708a_200011215754_100020643023 [0,2,0,0,0,0|0,0,0]=2 9430 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 273464a_100020643023_200011215754 [0,2,0,0,0,0|0,0,0]=2 9431 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 273464a_200011215754_100020643023 [0,2,0,0,0,0|0,0,0]=2 9432 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 512a_100020643023_200011215754 [0,2,0,0,0,0|0,0,0]=2 9433 B17R0.196 CCCCCCCCCCCNC(=O)NCCC 512a_200011215754_100020643023 [0,2,0,0,0,0|0,0,0]=2 9434 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 2708a_200011215754_100000724931 [0,2,0,0,0,0|0,0,0]=2 9435 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 273464a_100000724931_200011215754 [0,2,0,0,0,0|0,0,0]=2 9436 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 273464a_200011215754_100000724931 [0,2,0,0,0,0|0,0,0]=2 9437 B17R0.196 CCCCCCCCCCCNC(=O)NCCF 512a_200011215754_100000724931 [0,2,0,0,0,0|0,0,0]=2 9438 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 2708a_200011215754_100000210304 [0,2,0,0,0,0|0,0,0]=2 9439 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 273464a_100000210304_200011215754 [0,2,0,0,0,0|0,0,0]=2 9440 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 273464a_200011215754_100000210304 [0,2,0,0,0,0|0,0,0]=2 9441 B17R0.196 CCCCCCCCCCCNC(=O)NCCO 512a_200011215754_100000210304 [0,2,0,0,0,0|0,0,0]=2 9442 B17R0.196 CCCCCCCCCCCNC(=O)NNCC 273464a_200011215754_100000756455 [0,2,0,0,0,0|0,0,0]=2 9443 B17R0.196 CCCCCCCCCCCNC(=O)NNCC 512a_100000756455_200011215754 [0,2,0,0,0,0|0,0,0]=2 9444 B17R0.196 CCCCCCCCCCCNC(=O)NNCC 512a_200011215754_100000756455 [0,2,0,0,0,0|0,0,0]=2 9445 B17R0.196 CCCCCCCCCCNCC(=O)NCC#N 2230a_100000684558_100000736037 [0,2,0,0,0,0|0,0,1]=3 9446 B17R0.196 CCCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210320 [0,2,0,0,0,0|0,0,0]=2 9447 B17R0.196 CCCCCCCCCCNCC(=O)NCCC 2230a_100000684558_100000183358 [0,2,0,0,0,0|0,0,0]=2 9448 B17R0.196 CCCCCCCCCCNCC(=O)NCCC 34a_100000684558_100000183358 [0,2,0,0,0,0|0,0,0]=2 9449 B17R0.196 CCCCCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210320 [0,2,0,0,0,0|0,0,0]=2 9450 B17R0.196 CCCCCCCCCCNCC(=O)OCCC 2230a_100000684558_200011215008 [0,2,0,0,0,0|1,0,0]=3 9451 B17R0.196 CCCCCCCCCCNCC(=O)OCCC 34a_100000684558_200011215008 [0,2,0,0,0,0|1,0,0]=3 9452 B17R0.196 CCCCCCCCCCOCC(=O)NCC#N 7a_100000210711_100000736037 [0,2,0,0,0,0|0,0,1]=3 9453 B17R0.196 CCCCCCCCCCOCC(=O)NCCC 34a_100000210711_100000183358 [0,2,0,0,0,0|0,0,0]=2 9454 B17R0.196 CCCCCCCCCCOCC(=O)NCCC 7a_100000210711_100000183358 [0,2,0,0,0,0|0,0,0]=2 9455 B17R0.196 CCCCCCCCCCOCC(=O)OCCC 34a_100000210711_200011215008 [0,2,0,0,0,0|1,0,0]=3 9456 B17R0.196 CCCCCCCCCCOCC(=O)OCCC 7a_100000210711_200011215008 [0,2,0,0,0,0|1,0,0]=3 9457 B17R0.196 CCCCCCCCCCSCC(=O)NCC#N 62a_100000736037_100000210320 [0,2,0,0,0,0|0,0,1]=3 9458 B17R0.196 CCCCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210320 [0,2,0,0,0,0|0,0,0]=2 9459 B17R0.196 CCCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210320 [0,2,0,0,0,0|1,0,0]=3 9460 B17R0.196 CCCCCCCCCNCOC(=O)OCCC 34a_100000212291_200000139673 [0,2,0,0,0,0|2,0,0]=4 9461 B17R0.196 CCCCCCCCCOCOC(=O)OCCC 34a_100000210712_200000139673 [0,2,0,0,0,0|2,0,0]=4 9462 B17R0.196 CCCCCCCCCOCOC(=O)OCCC 7a_100000210712_200000139673 [0,2,0,0,0,0|2,0,0]=4 9463 B17R0.196 CCCCCCCCNCCCC(=O)NCCC 2230a_100000229939_100011194427 [0,2,0,0,0,0|0,0,0]=2 9464 B17R0.196 CCCCCCCCOCCCC(=O)NCCC 7a_100000210232_100011194427 [0,2,0,0,0,0|0,0,0]=2 9465 B17R0.196 CCCCCCCCSCCCC(=O)NCCC 62a_100000210759_100011194427 [0,2,0,0,0,0|0,0,0]=2 9466 B17R0.196 CCCCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210317 [0,2,0,0,0,0|0,0,0]=2 9467 B17R0.196 CCCCCOCCOCCCC(=O)NCCC 7a_100011215259_100011194427 [0,2,0,0,0,0|1,0,0]=3 9468 B17R0.196 CCCCOCCCNCCCC(=O)NCCC 2230a_200000211371_100011194427 [0,2,0,0,0,0|1,0,0]=3 9469 B17R0.196 CCCCOCCCOCCCC(=O)NCCC 7a_200011215613_100011194427 [0,2,0,0,0,0|1,0,0]=3 9470 B17R0.196 CCCCOCCOCCOCC(=O)NCCC 34a_100011215186_100000183358 [0,2,0,0,0,0|2,0,0]=4 9471 B17R0.196 CCCCOCCOCCOCC(=O)NCCC 7a_100011215186_100000183358 [0,2,0,0,0,0|2,0,0]=4 9472 B17R0.196 CCCNC(=O)CCCCCCCCCCCO 240690a_100020643023_100000037981 [0,2,0,0,0,0|0,0,0]=2 9473 B17R0.196 CCCNC(=O)CCCNCCCCCCCO 2230a_100011996573_100011194427 [0,2,0,0,0,0|1,0,0]=3 9474 B17R0.196 CCCNC(=O)CCCNCCCOCCCO 2230a_100011310245_100011194427 [0,2,0,0,0,0|2,0,0]=4 9475 B17R0.196 CCCNC(=O)CCCNCCCOCCOC 2230a_100000206027_100011194427 [0,2,0,0,0,0|2,0,0]=4 9476 B17R0.196 CCCNC(=O)CCCNCCOCCOCC 2230a_100102712874_100011194427 [0,2,0,0,0,0|2,0,0]=4 9477 B17R0.196 CCCNC(=O)CCCOCCCCCCCBr 7a_100000760002_100011194427 [0,2,0,0,0,0|1,0,0]=3 9478 B17R0.196 CCCNC(=O)CCCOCCCCCCOC 7a_200012092642_100011194427 [0,2,0,0,0,0|1,0,0]=3 9479 B17R0.196 CCCNC(=O)CCCOCCOCCOCC 7a_100000210240_100011194427 [0,2,0,0,0,0|2,0,0]=4 9480 B17R0.196 CCCNC(=O)CCCSCCCCCCC#N 62a_100009813337_100011194427 [0,2,0,0,0,0|1,0,1]=4 9481 B17R0.196 CCCNC(=O)CCCSCCCCCCC#N 62a_100011194427_100009813337 [0,2,0,0,0,0|1,0,1]=4 9482 B17R0.196 CCCNC(=O)CCCSCCCCCCCO 62a_100000760002_100011194427 [0,2,0,0,0,0|1,0,0]=3 9483 B17R0.196 CCCNC(=O)CCCSCCCCCCCO 62a_100011194427_100000760002 [0,2,0,0,0,0|1,0,0]=3 9484 B17R0.196 CCCNC(=O)CCCSCCCCCCOC 62a_100011194427_100011998445 [0,2,0,0,0,0|1,0,0]=3 9485 B17R0.196 CCCNC(=O)CCCSCCCCCCOC 62a_100011998445_100011194427 [0,2,0,0,0,0|1,0,0]=3 9486 B17R0.196 CCCNC(=O)CCCSCCCOCCOC 62a_100011194427_100011216529 [0,2,0,0,0,0|2,0,0]=4 9487 B17R0.196 CCCNC(=O)CCCSCCCOCCOC 62a_100011216529_100011194427 [0,2,0,0,0,0|2,0,0]=4 9488 B17R0.196 CCCNC(=O)CCCSCCOCCOCC 62a_100011194427_100011211534 [0,2,0,0,0,0|2,0,0]=4 9489 B17R0.196 CCCNC(=O)CCCSCCOCCOCC 62a_100011211534_100011194427 [0,2,0,0,0,0|2,0,0]=4 9490 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000183358 [0,2,0,0,0,0|1,0,0]=3 9491 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 2230a_100000174927_100009813782 [0,2,0,0,0,0|1,0,0]=3 9492 B17R0.196 CCCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000183358 [0,2,0,0,0,0|1,0,0]=3 9493 B17R0.196 CCCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000183358 [0,2,0,0,0,0|1,0,0]=3 9494 B17R0.196 CCCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000183358 [0,2,0,0,0,0|1,0,0]=3 9495 B17R0.196 CCCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000183358 [0,2,0,0,0,0|1,0,0]=3 9496 B17R0.196 CCCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000183358 [0,2,0,0,0,0|1,0,0]=3 9497 B17R0.196 CCCNC(=O)COCCCCCCCCCN 34a_100000078944_100000183358 [0,2,0,0,0,0|1,0,0]=3 9498 B17R0.196 CCCNC(=O)CSCCCCCCCCCO 62a_100000183358_100009813782 [0,2,0,0,0,0|1,0,0]=3 9499 B17R0.196 CCCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000183358 [0,2,0,0,0,0|1,0,0]=3 9500 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020643023 [0,2,0,0,0,0|1,0,0]=3 9501 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 2708a_100020643023_100000066964 [0,2,0,0,0,0|1,0,0]=3 9502 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020643023 [0,2,0,0,0,0|1,0,0]=3 9503 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 273464a_100020643023_100000066964 [0,2,0,0,0,0|1,0,0]=3 9504 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100020643023 [0,2,0,0,0,0|1,0,0]=3 9505 B17R0.196 CCCNC(=O)NCCCCCCCCCCO 512a_100020643023_100000066964 [0,2,0,0,0,0|1,0,0]=3 9506 B17R0.196 CCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_200011215008 [0,2,0,0,0,0|2,0,0]=4 9507 B17R0.196 CCCOC(=O)CNCCCCCCCCCO 34a_100000078944_200011215008 [0,2,0,0,0,0|2,0,0]=4 9508 B17R0.196 CCCOC(=O)COCCCCCCCCCBr 34a_100009813782_200011215008 [0,2,0,0,0,0|2,0,0]=4 9509 B17R0.196 CCCOC(=O)COCCCCCCCCCBr 7a_100009813782_200011215008 [0,2,0,0,0,0|2,0,0]=4 9510 B17R0.196 CCCOC(=O)COCCCCCCCCCCl 34a_100009868337_200011215008 [0,2,0,0,0,0|2,0,0]=4 9511 B17R0.196 CCCOC(=O)COCCCCCCCCCCl 7a_100009868337_200011215008 [0,2,0,0,0,0|2,0,0]=4 9512 B17R0.196 CCCOC(=O)COCCCCCCCCCN 34a_100000078944_200011215008 [0,2,0,0,0,0|2,0,0]=4 9513 B17R0.196 CCCOC(=O)CSCCCCCCCCCO 62a_100009813782_200011215008 [0,2,0,0,0,0|2,0,0]=4 9514 B17R0.196 CCCOC(=O)CSCCCCCCCCCO 62a_200011215008_100009813782 [0,2,0,0,0,0|2,0,0]=4 9515 B17R0.196 CCNNC(=O)CCCCCCCCCCCO 22a_100000756455_100000037981 [0,2,0,0,0,0|0,0,0]=2 9516 B17R0.196 CCNNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000756455 [0,2,0,0,0,0|1,0,0]=3 9517 B17R0.196 CCNNC(=O)NCCCCCCCCCCO 512a_100000066964_100000756455 [0,2,0,0,0,0|1,0,0]=3 9518 B17R0.196 CCNNC(=O)NCCCCCCCCCCO 512a_100000756455_100000066964 [0,2,0,0,0,0|1,0,0]=3 9519 B17R0.196 CCOCC(=O)CCCCCCCCCCCO 1458a_100000211967_100009812471 [0,2,0,0,0,0|1,0,0]=3 9520 B17R0.196 CCOCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000211967 [0,2,0,0,0,0|2,0,0]=4 9521 B17R0.196 CCSCC(=O)CCCCCCCCCCCO 1458a_100000230394_100009812471 [0,2,0,0,0,0|1,0,0]=3 9522 B17R0.196 CCSCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000230394 [0,2,0,0,0,0|2,0,0]=4 9523 B17R0.196 COC=CC(=O)CCCCCCCCCCCO 1458a_100016268678_100009812471 [0,2,0,0,0,0|1,0,1]=4 9524 B17R0.196 COCCC(=O)CCCCCCCCCCCO 1458a_100000749529_100009812471 [0,2,0,0,0,0|1,0,0]=3 9525 B17R0.196 COCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000749529 [0,2,0,0,0,0|2,0,0]=4 9526 B17R0.196 CSCCC(=O)CCCCCCCCCCCO 1458a_100000174002_100009812471 [0,2,0,0,0,0|1,0,0]=3 9527 B17R0.196 CSCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000174002 [0,2,0,0,0,0|2,0,0]=4 9528 B17R0.196 N#CCCC(=O)CCCCCCCCCCCO 1458a_100011934036_100009812471 [0,2,0,0,0,0|1,0,1]=4 9529 B17R0.196 N#CCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000736037 [0,2,0,0,0,0|1,0,1]=4 9530 B17R0.196 N#CCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000736037 [0,2,0,0,0,0|1,0,1]=4 9531 B17R0.196 N#CCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000736037 [0,2,0,0,0,0|1,0,1]=4 9532 B17R0.196 N#CCNC(=O)CSCCCCCCCCCO 62a_100000736037_100009813782 [0,2,0,0,0,0|1,0,1]=4 9533 B17R0.196 N#CCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000736037 [0,2,0,0,0,0|1,0,1]=4 9534 B17R0.196 N#CCNC(=O)NCCCCCCCCCCO 2708a_100000734998_100000066964 [0,2,0,0,0,0|1,0,1]=4 9535 B17R0.196 N#CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000734998 [0,2,0,0,0,0|1,0,1]=4 9536 B17R0.196 N#CCNC(=O)NCCCCCCCCCCO 273464a_100000734998_100000066964 [0,2,0,0,0,0|1,0,1]=4 9537 B17R0.196 N#CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000734998 [0,2,0,0,0,0|1,0,1]=4 9538 B17R0.196 N#CCNC(=O)NCCCCCCCCCCO 512a_100000734998_100000066964 [0,2,0,0,0,0|1,0,1]=4 9539 B17R0.196 O=C(C#CCO)CCCCCCCCCCCO 1458a_100000049017_100009812471 [0,2,0,0,0,0|1,0,1]=4 9540 B17R0.196 O=C(CCCCCCCCCCCO)NCCF 240690a_100000724931_100000037981 [0,2,0,0,0,0|0,0,0]=2 9541 B17R0.196 O=C(CCCCCCCCCCCO)NCCO 240690a_100000210304_100000037981 [0,2,0,0,0,0|0,0,0]=2 9542 B17R0.196 O=C(CNCCCCCCCCCO)NCCF 2230a_100000725713_100009813782 [0,2,0,0,0,0|1,0,0]=3 9543 B17R0.196 O=C(NCCF)NCCCCCCCCCCO 2708a_100000066964_100000724931 [0,2,0,0,0,0|1,0,0]=3 9544 B17R0.196 O=C(NCCF)NCCCCCCCCCCO 273464a_100000066964_100000724931 [0,2,0,0,0,0|1,0,0]=3 9545 B17R0.196 O=C(NCCF)NCCCCCCCCCCO 273464a_100000724931_100000066964 [0,2,0,0,0,0|1,0,0]=3 9546 B17R0.196 O=C(NCCF)NCCCCCCCCCCO 512a_100000066964_100000724931 [0,2,0,0,0,0|1,0,0]=3 9547 B17R0.196 O=C(NCCO)NCCCCCCCCCCO 2708a_100000066964_100000210304 [0,2,0,0,0,0|1,0,0]=3 9548 B17R0.196 O=C(NCCO)NCCCCCCCCCCO 273464a_100000066964_100000210304 [0,2,0,0,0,0|1,0,0]=3 9549 B17R0.196 O=C(NCCO)NCCCCCCCCCCO 273464a_100000210304_100000066964 [0,2,0,0,0,0|1,0,0]=3 9550 B17R0.196 O=C(NCCO)NCCCCCCCCCCO 512a_100000066964_100000210304 [0,2,0,0,0,0|1,0,0]=3 9551 B17R0.231 C#CCCCCCCCCC(=O)CC(=O)NCC 1458a_100000029693_100000183381 [0,2,0,0,0,0|0,0,2]=4 9552 B17R0.231 C=C(CCC)CC(=O)CCCCCCCCCC 1458a_100000138376_100000210319 [0,2,0,0,0,0|2,0,0]=4 9553 B17R0.231 C=CCCCCCCCCC(=O)CC(=O)NCC 1458a_100000211349_100000183381 [0,2,0,0,0,0|0,0,2]=4 9554 B17R0.231 C=CCCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100011933949 [0,2,0,0,0,0|0,0,2]=4 9555 B17R0.231 C=CCCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100011933949 [0,2,0,0,0,0|0,0,2]=4 9556 B17R0.231 CC#CCCCCCCCC(=O)CC(=O)NCC 1458a_100000066323_100000183381 [0,2,0,0,0,0|0,0,2]=4 9557 B17R0.231 CCC#CCCCCCCN(C)CC(=O)NCC 2230a_100000741943_200000036426 [0,2,0,0,0,0|0,0,2]=4 9558 B17R0.231 CCC#CCCCCCCN(C)CC(=O)NCC 269982a_100000741943_200000036426 [0,2,0,0,0,0|0,0,2]=4 9559 B17R0.231 CCCC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000747444 [0,2,0,0,0,0|1,0,1]=4 9560 B17R0.231 CCCCCCCCC=CC(=O)CC(=O)NCC 1458a_100015345288_100000183381 [0,2,0,0,0,0|0,0,2]=4 9561 B17R0.231 CCCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210375_100000747444 [0,2,0,0,0,0|1,0,0]=3 9562 B17R0.231 CCCCCCCCCCC(=O)CC(=O)NCC 1458a_100000210375_100000183381 [0,2,0,0,0,0|0,0,0]=2 9563 B17R0.231 CCCCCCCCCCC(=O)CC(=O)NCO 1458a_100000210375_100000185155 [0,2,0,0,0,0|1,0,0]=3 9564 B17R0.231 CCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000210375_100000188475 [0,2,0,0,0,0|1,0,0]=3 9565 B17R0.231 CCCCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210319 [0,2,0,0,0,0|1,0,0]=3 9566 B17R0.231 CCCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210319 [0,2,0,0,0,0|2,0,0]=4 9567 B17R0.231 CCCCCCCCCCN(C)CC(=O)CCC 2230a_100000207566_100000747444 [0,2,0,0,0,0|1,0,0]=3 9568 B17R0.231 CCCCCCCCCCN(C)CC(=O)CCC 269982a_100000207566_100000747444 [0,2,0,0,0,0|1,0,0]=3 9569 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 2230a_100000207566_100000183381 [0,2,0,0,0,0|0,0,0]=2 9570 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210320 [0,2,0,0,0,0|0,0,0]=2 9571 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 269982a_100000207566_100000183381 [0,2,0,0,0,0|0,0,0]=2 9572 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210320 [0,2,0,0,0,0|0,0,0]=2 9573 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCO 2230a_100000207566_100000185155 [0,2,0,0,0,0|1,0,0]=3 9574 B17R0.231 CCCCCCCCCCN(C)CC(=O)NCO 269982a_100000207566_100000185155 [0,2,0,0,0,0|1,0,0]=3 9575 B17R0.231 CCCCCCCCCCN(C)CC(=O)OCC 2230a_100000207566_100000188475 [0,2,0,0,0,0|1,0,0]=3 9576 B17R0.231 CCCCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210320 [0,2,0,0,0,0|1,0,0]=3 9577 B17R0.231 CCCCCCCCCCN(C)CC(=O)OCC 269982a_100000207566_100000188475 [0,2,0,0,0,0|1,0,0]=3 9578 B17R0.231 CCCCCCCCCNC(=O)CC(=O)OCC 240690a_100000212291_100000243816 [0,2,0,0,0,0|1,0,1]=4 9579 B17R0.231 CCCCCCCCCNC(C)CC(=O)OCC 2230a_100000212291_100009817359 [0,2,0,0,0,0|1,0,0]=3 9580 B17R0.231 CCCCCCCCCOC(C)CC(=O)OCC 7a_100000210712_100009817359 [0,2,0,0,0,0|1,0,0]=3 9581 B17R0.231 CCCCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210328 [0,2,0,0,0,0|1,0,0]=3 9582 B17R0.231 CCCCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210670 [0,2,0,0,0,0|1,0,0]=3 9583 B17R0.231 CCCCCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210670 [0,2,0,0,0,0|2,0,0]=4 9584 B17R0.231 CCCCCCCCNCC(=O)NC(=O)NCC 2230a_100000229939_100000183762 [0,2,0,0,0,0|1,0,1]=4 9585 B17R0.231 CCCCCCCCNC[C@@H](O)CC(=O)OCC 34a_100000229939_100000688340 [0,2,0,0,0,0|1,0,0]=3 9586 B17R0.231 CCCCCCCCOCC(=O)CC(=O)CCC 1458a_100000759886_100000747444 [0,2,0,0,0,0|1,0,1]=4 9587 B17R0.231 CCCCCCCCOCC(=O)CC(=O)NCC 1458a_100000759886_100000183381 [0,2,0,0,0,0|0,0,1]=3 9588 B17R0.231 CCCCCCCCOCC(=O)CC(=O)NCO 1458a_100000759886_100000185155 [0,2,0,0,0,0|1,0,1]=4 9589 B17R0.231 CCCCCCCCOCC(=O)CC(=O)OCC 1458a_100000759886_100000188475 [0,2,0,0,0,0|1,0,1]=4 9590 B17R0.231 CCCCCCCCOCC(=O)NC(=O)NCC 7a_100000210232_100000183762 [0,2,0,0,0,0|1,0,1]=4 9591 B17R0.231 CCCCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210232_100000688340 [0,2,0,0,0,0|1,0,0]=3 9592 B17R0.231 CCCCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210232_100000688340 [0,2,0,0,0,0|1,0,0]=3 9593 B17R0.231 CCCCCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210317 [0,2,0,0,0,0|1,0,1]=4 9594 B17R0.231 CCCCCCCCSCC(=O)CC(=O)OCC 62a_100000210759_100000210311 [0,2,0,0,0,0|1,0,1]=4 9595 B17R0.231 CCCCCCCCSCC(=O)NC(=O)NCC 62a_100000210759_100000183762 [0,2,0,0,0,0|1,0,1]=4 9596 B17R0.231 CCCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210759_100000688340 [0,2,0,0,0,0|1,0,0]=3 9597 B17R0.231 CCCCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210317 [0,2,0,0,0,0|1,0,0]=3 9598 B17R0.231 CCCCCCOCCOC(C)CC(=O)OCC 7a_100000691444_100009817359 [0,2,0,0,0,0|2,0,0]=4 9599 B17R0.231 CCCCCNCCOC[C@@H](O)CC(=O)OCC 34a_100000224656_100000688340 [0,2,0,0,0,0|2,0,0]=4 9600 B17R0.231 CCCCCOCCOC[C@@H](O)CC(=O)OCC 34a_100011215259_100000688340 [0,2,0,0,0,0|2,0,0]=4 9601 B17R0.231 CCCCCOCCOC[C@@H](O)CC(=O)OCC 7a_100011215259_100000688340 [0,2,0,0,0,0|2,0,0]=4 9602 B17R0.231 CCCCOCCCCOC(C)CC(=O)OCC 7a_200000760531_100009817359 [0,2,0,0,0,0|2,0,0]=4 9603 B17R0.231 CCCCOCCCNC[C@@H](O)CC(=O)OCC 34a_200000211371_100000688340 [0,2,0,0,0,0|2,0,0]=4 9604 B17R0.231 CCCCOCCCOC[C@@H](O)CC(=O)OCC 34a_200011215613_100000688340 [0,2,0,0,0,0|2,0,0]=4 9605 B17R0.231 CCCCOCCCOC[C@@H](O)CC(=O)OCC 7a_200011215613_100000688340 [0,2,0,0,0,0|2,0,0]=4 9606 B17R0.231 CCNC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000183381 [0,2,0,0,0,0|0,0,1]=3 9607 B17R0.231 CCNC(=O)CN(C)CCCCCCCCCO 2230a_100000741943_100009813782 [0,2,0,0,0,0|1,0,0]=3 9608 B17R0.231 CCNC(=O)CN(C)CCCCCCCCCO 269982a_100000741943_100009813782 [0,2,0,0,0,0|1,0,0]=3 9609 B17R0.231 CCOC(=O)CC(=O)CCCCCCCCCF 1458a_200009909015_100000188475 [0,2,0,0,0,0|1,0,1]=4 9610 B17R0.231 CCOC(=O)CC(=O)CCCCCCCCCO 1458a_100000243816_100009813782 [0,2,0,0,0,0|1,0,1]=4 9611 B17R0.231 CCOC(=O)CC(C)NCCCCCCCCO 2230a_102515433106_100009817359 [0,2,0,0,0,0|2,0,0]=4 9612 B17R0.231 CCOC(=O)CC(C)OCCCCCCCCBr 7a_100009813846_100009817359 [0,2,0,0,0,0|2,0,0]=4 9613 B17R0.231 CCOC(=O)CC(C)OCCCCCCCCCl 7a_100000033203_100009817359 [0,2,0,0,0,0|2,0,0]=4 9614 B17R0.231 CCOC(=O)CC(C)SCCCCCCCCO 62a_100000033203_100009817359 [0,2,0,0,0,0|2,0,0]=4 9615 B17R0.231 CCOC(=O)CC(C)SCCCCCCCCO 62a_100009817359_100000033203 [0,2,0,0,0,0|2,0,0]=4 9616 B17R0.231 CCOC(=O)CN(C)CCCCCCCCCO 2230a_100000220588_100009813782 [0,2,0,0,0,0|2,0,0]=4 9617 B17R0.231 CCOC(=O)C[C@@H](C)OCCCCCCCCO 7a_100009816390_100000033203 [0,2,0,0,0,0|2,0,0]=4 9618 B17R0.231 CCOC(=O)C[C@H](O)CNCCCCCCCO 34a_100011996573_100000688340 [0,2,0,0,0,0|2,0,0]=4 9619 B17R0.231 CCOC(=O)C[C@H](O)COCCCCCCCBr 34a_100000760002_100000688340 [0,2,0,0,0,0|2,0,0]=4 9620 B17R0.231 CCOC(=O)C[C@H](O)COCCCCCCCBr 7a_100000760002_100000688340 [0,2,0,0,0,0|2,0,0]=4 9621 B17R0.231 CCOC(=O)C[C@H](O)COCCCCCCCN 34a_100011996573_100000688340 [0,2,0,0,0,0|2,0,0]=4 9622 B17R0.231 CCOC(=O)C[C@H](O)COCCCCCCOC 34a_200012092642_100000688340 [0,2,0,0,0,0|2,0,0]=4 9623 B17R0.231 CCOC(=O)C[C@H](O)COCCCCCCOC 7a_200012092642_100000688340 [0,2,0,0,0,0|2,0,0]=4 9624 B17R0.231 CCOC(=O)C[C@H](O)CSCCCCCCCO 62a_100000688340_100000760002 [0,2,0,0,0,0|2,0,0]=4 9625 B17R0.231 CCOC(=O)C[C@H](O)CSCCCCCCCO 62a_100000760002_100000688340 [0,2,0,0,0,0|2,0,0]=4 9626 B17R0.231 CCOC(=O)C[C@H](O)CSCCCCCCOC 62a_100000688340_100011998445 [0,2,0,0,0,0|2,0,0]=4 9627 B17R0.231 CCOC(=O)C[C@H](O)CSCCCCCCOC 62a_100011998445_100000688340 [0,2,0,0,0,0|2,0,0]=4 9628 B17R0.231 O=C(CCCCCCCCCF)CC(=O)NCO 1458a_200009909015_100000185155 [0,2,0,0,0,0|1,0,1]=4 9629 B17R0.247 CCCCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210757 [0,2,0,0,0,0|1,0,0]=3 9630 B17R0.247 CCCCCCC(=O)CCCCCC(=O)OCC 1458a_100102632555_100000755133 [0,2,0,0,0,0|1,0,0]=3 9631 B17R0.247 CCCCCCC(=O)CCCOCC(=O)OCC 1458a_100102632555_100009893628 [0,2,0,0,0,0|1,0,1]=4 9632 B17R0.247 CCCCCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100102632555 [0,2,0,0,0,0|1,0,1]=4 9633 B17R0.247 CCCCCCC(C)CCOCCC(=O)NCC 7a_200011024964_100000737597 [0,2,0,0,0,0|0,0,0]=2 9634 B17R0.247 CCCCCCC(C)CCOCCC(=O)OCC 34a_200011024964_100000765890 [0,2,0,0,0,0|1,0,0]=3 9635 B17R0.247 CCCCCCC(C)CCOCCC(=O)OCC 7a_200011024964_100011206558 [0,2,0,0,0,0|1,0,0]=3 9636 B17R0.247 CCCCCCC(C)CCOCOC(=O)CCC 34a_200011024964_100000034017 [0,2,0,0,0,0|2,0,0]=4 9637 B17R0.247 CCCCCCC(C)NCCCCC(=O)OCC 2230a_100000210919_100000750268 [0,2,0,0,0,0|1,0,0]=3 9638 B17R0.247 CCCCCCC(C)NCCCCC(=O)OCC 34a_100000210919_100000750268 [0,2,0,0,0,0|1,0,0]=3 9639 B17R0.247 CCCCCCC(C)NCCOCC(=O)OCC 2230a_100000210919_100000088970 [0,2,0,0,0,0|2,0,0]=4 9640 B17R0.247 CCCCCCC(C)NCCOCC(=O)OCC 34a_100000210919_100000088970 [0,2,0,0,0,0|2,0,0]=4 9641 B17R0.247 CCCCCCC(C)OCCCCC(=O)OCC 34a_100000210265_100000750268 [0,2,0,0,0,0|1,0,0]=3 9642 B17R0.247 CCCCCCC(C)OCCCCC(=O)OCC 7a_100000210265_100000750268 [0,2,0,0,0,0|1,0,0]=3 9643 B17R0.247 CCCCCCC(C)OCCOCC(=O)OCC 34a_100000210265_100000088970 [0,2,0,0,0,0|2,0,0]=4 9644 B17R0.247 CCCCCCC(C)OCCOCC(=O)OCC 7a_100000210265_100000088970 [0,2,0,0,0,0|2,0,0]=4 9645 B17R0.247 CCCCCCC(C)OCCSCC(=O)OCC 7a_200000230590_100011215978 [0,2,0,0,0,0|2,0,0]=4 9646 B17R0.247 CCCCCCC(C)SCCCCC(=O)OCC 62a_100000750268_100011215978 [0,2,0,0,0,0|1,0,0]=3 9647 B17R0.247 CCCCCCC(C)SCCCCC(=O)OCC 62a_100011215978_100000750268 [0,2,0,0,0,0|1,0,0]=3 9648 B17R0.247 CCCCCCC(C)SCCOCC(=O)OCC 62a_100000088970_100011215978 [0,2,0,0,0,0|2,0,0]=4 9649 B17R0.247 CCCCCCC(C)SCCOCC(=O)OCC 62a_100011215978_100000088970 [0,2,0,0,0,0|2,0,0]=4 9650 B17R0.247 CCCCCCN(C)CCCCCC(=O)OCC 2230a_106256046315_100000755133 [0,2,0,0,0,0|1,0,0]=3 9651 B17R0.247 CCCCCCN(C)CCCCCC(=O)OCC 269982a_106256046315_100000755133 [0,2,0,0,0,0|1,0,0]=3 9652 B17R0.247 CCCCCCN(C)CCCOCC(=O)OCC 2230a_106256046315_100009893628 [0,2,0,0,0,0|2,0,0]=4 9653 B17R0.247 CCCCCCN(C)CCCOCC(=O)OCC 269982a_106256046315_100009893628 [0,2,0,0,0,0|2,0,0]=4 9654 B17R0.247 CCCCCNC(=O)CCCCCC(=O)OCC 11a_100000209983_100000037472 [0,2,0,0,0,0|1,0,1]=4 9655 B17R0.247 CCCCCNC(=O)CCCCCC(=O)OCC 1626a_100000209983_100000037472 [0,2,0,0,0,0|1,0,1]=4 9656 B17R0.247 CCCCCNC(=O)CCCCCC(=O)OCC 240690a_100000209983_100000037472 [0,2,0,0,0,0|1,0,1]=4 9657 B17R0.247 CCCCCNC(=O)CCCCCC(=O)OCC 527a_100000209983_100000037472 [0,2,0,0,0,0|1,0,1]=4 9658 B17R0.247 CCCCOCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100011995733 [0,2,0,0,0,0|1,0,1]=4 9659 B17R0.247 CCCCOCC(=O)CCCCCC(=O)OCC 1458a_100000757543_100000755133 [0,2,0,0,0,0|1,0,1]=4 9660 B17R0.247 CCCCOCC(C)OCCCCC(=O)OCC 34a_100011217071_100000750268 [0,2,0,0,0,0|2,0,0]=4 9661 B17R0.247 CCCCOCC(C)OCCCCC(=O)OCC 7a_100011217071_100000750268 [0,2,0,0,0,0|2,0,0]=4 9662 B17R0.247 CCCCSCC(=O)CCCCCC(=O)OCC 1458a_100000191162_100000755133 [0,2,0,0,0,0|1,0,1]=4 9663 B17R0.247 CCCOCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100011215938 [0,2,0,0,0,0|1,0,1]=4 9664 B17R0.247 CCOC(=O)CCCCCC(=O)CCCCCF 1458a_100000037472_100000729378 [0,2,0,0,0,0|1,0,1]=4 9665 B17R0.247 CCOC(=O)CCCCCC(=O)CCCCCO 1458a_100000037472_100000746330 [0,2,0,0,0,0|1,0,1]=4 9666 B17R0.247 CCOC(=O)CCCCCC(=O)CCCCCO 1458a_100102619762_100000755133 [0,2,0,0,0,0|1,0,1]=4 9667 B17R0.247 CCOC(=O)CCCCCC(=O)CCCCOC 1458a_100000037472_100000755781 [0,2,0,0,0,0|1,0,1]=4 9668 B17R0.247 CCOC(=O)CCCCCN(C)CCCCCO 2230a_100000722520_100000755133 [0,2,0,0,0,0|2,0,0]=4 9669 B17R0.247 CCOC(=O)CCCCCN(C)CCCCCO 269982a_100000722520_100000755133 [0,2,0,0,0,0|2,0,0]=4 9670 B17R0.247 CCOCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100012232248 [0,2,0,0,0,0|1,0,1]=4 9671 B17R0.250 C#CCCCCCCCCCOCC(=O)CCC 7a_100000034437_100000747444 [0,2,0,0,0,0|1,0,1]=4 9672 B17R0.250 C#CCCCCCCCCCOCC(=O)NCC 34a_100000034437_100000183381 [0,2,0,0,0,0|0,0,1]=3 9673 B17R0.250 C#CCCCCCCCCCOCC(=O)NCC 7a_100000034437_100000183381 [0,2,0,0,0,0|0,0,1]=3 9674 B17R0.250 C#CCCCCCCCCCOCC(=O)NCO 34a_100000034437_100000185155 [0,2,0,0,0,0|1,0,1]=4 9675 B17R0.250 C#CCCCCCCCCCOCC(=O)NCO 7a_100000034437_100000185155 [0,2,0,0,0,0|1,0,1]=4 9676 B17R0.250 C#CCCCCCCCCCOCC(=O)OCC 34a_100000034437_100000188475 [0,2,0,0,0,0|1,0,1]=4 9677 B17R0.250 C#CCCCCCCCCCOCC(=O)OCC 7a_100000034437_100000188475 [0,2,0,0,0,0|1,0,1]=4 9678 B17R0.250 C#CCCCCCCCCOCCC(=O)NCC 7a_100000065265_100000737597 [0,2,0,0,0,0|0,0,1]=3 9679 B17R0.250 C#CCCCCCCCCOCCC(=O)OCC 34a_100000065265_100000765890 [0,2,0,0,0,0|1,0,1]=4 9680 B17R0.250 C#CCCCCCCCCOCCC(=O)OCC 7a_100000065265_100011206558 [0,2,0,0,0,0|1,0,1]=4 9681 B17R0.250 C#CCCCCCCCOCCCC(=O)OCC 34a_100000054614_100009991533 [0,2,0,0,0,0|1,0,1]=4 9682 B17R0.250 C#CCCCCCCCOCCCC(=O)OCC 7a_100000054614_100011215271 [0,2,0,0,0,0|1,0,1]=4 9683 B17R0.250 C#CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100153394163 [0,2,0,0,0,0|1,0,1]=4 9684 B17R0.250 C#CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100153394163 [0,2,0,0,0,0|1,0,1]=4 9685 B17R0.250 C#CCCCCCCCSCCCC(=O)OCC 62a_100153394163_100009991533 [0,2,0,0,0,0|1,0,1]=4 9686 B17R0.250 C#CCCCCCCOCCCCC(=O)OCC 34a_100011217361_100000750268 [0,2,0,0,0,0|1,0,1]=4 9687 B17R0.250 C#CCCCCCCOCCCCC(=O)OCC 7a_100011217361_100000750268 [0,2,0,0,0,0|1,0,1]=4 9688 B17R0.250 C#CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100012276617 [0,2,0,0,0,0|1,0,1]=4 9689 B17R0.250 C#CCCCCCCSCCCCC(=O)OCC 62a_100012276617_100000750268 [0,2,0,0,0,0|1,0,1]=4 9690 B17R0.250 C#CCCCCCOCCCCCC(=O)OCC 34a_100000766912_100000755133 [0,2,0,0,0,0|1,0,1]=4 9691 B17R0.250 C#CCCCCCOCCCCCC(=O)OCC 7a_100000766912_100000755133 [0,2,0,0,0,0|1,0,1]=4 9692 B17R0.250 C#CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100012094781 [0,2,0,0,0,0|1,0,1]=4 9693 B17R0.250 C#CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100012094781 [0,2,0,0,0,0|1,0,1]=4 9694 B17R0.250 C#CCCCCCSCCCCCC(=O)OCC 62a_100012094781_100000755133 [0,2,0,0,0,0|1,0,1]=4 9695 B17R0.250 C#CCCCCNCCCCCCC(=O)OCC 2230a_100000706060_100009814379 [0,2,0,0,0,0|1,0,1]=4 9696 B17R0.250 C#CCCCCNCCCCCCC(=O)OCC 34a_100000706060_100009814379 [0,2,0,0,0,0|1,0,1]=4 9697 B17R0.250 C#CCCCCOCCCCCCC(=O)OCC 34a_100000766709_100009814379 [0,2,0,0,0,0|1,0,1]=4 9698 B17R0.250 C#CCCCCOCCCCCCC(=O)OCC 7a_100000766709_100009814379 [0,2,0,0,0,0|1,0,1]=4 9699 B17R0.250 C#CCCCCSCCCCCCC(=O)OCC 62a_100010269958_100009814379 [0,2,0,0,0,0|1,0,1]=4 9700 B17R0.250 C#CCCCNCCCCCCCC(=O)OCC 34a_100000718082_100009991516 [0,2,0,0,0,0|1,0,1]=4 9701 B17R0.250 C#CCCCOCCCCCCCC(=O)OCC 34a_100000215630_100009991516 [0,2,0,0,0,0|1,0,1]=4 9702 B17R0.250 C#CCCCOCCCCCCCC(=O)OCC 7a_100000215630_100009991516 [0,2,0,0,0,0|1,0,1]=4 9703 B17R0.250 C#CCCCSCCCCCCCC(=O)OCC 62a_100011215417_100009991516 [0,2,0,0,0,0|1,0,1]=4 9704 B17R0.250 C#CCCNCCCCCCCCC(=O)OCC 34a_100000755551_100010175975 [0,2,0,0,0,0|1,0,1]=4 9705 B17R0.250 C#CCCOCCCCCCCCC(=O)OCC 34a_100011215631_100010175975 [0,2,0,0,0,0|1,0,1]=4 9706 B17R0.250 C#CCCSCCCCCCCCC(=O)OCC 62a_100000688953_100010175975 [0,2,0,0,0,0|1,0,1]=4 9707 B17R0.250 C#CCNCCCCCCCCCC(=O)OCC 34a_100000212058_100009828014 [0,2,0,0,0,0|1,0,1]=4 9708 B17R0.250 C#CCOCCCCCCCCCC(=O)OCC 34a_100000210247_100009828014 [0,2,0,0,0,0|1,0,1]=4 9709 B17R0.250 C#CCOCCCCCCOCCC(=O)NCC 7a_200011021349_100000737597 [0,2,0,0,0,0|0,0,2]=4 9710 B17R0.250 C#CCSCCCCCCCCCC(=O)OCC 62a_100000038162_100009828014 [0,2,0,0,0,0|1,0,1]=4 9711 B17R0.250 C/C=C/CCOCCCCCCCC(=O)OCC 34a_100016278192_100009991516 [0,2,0,0,0,0|1,0,1]=4 9712 B17R0.250 C/C=C/COCCCCCCCCC(=O)OCC 34a_100016270725_100010175975 [0,2,0,0,0,0|1,0,1]=4 9713 B17R0.250 C/C=C/CSCCCCCCCCC(=O)OCC 62a_100102629194_100010175975 [0,2,0,0,0,0|1,0,1]=4 9714 B17R0.250 C=CCCCCCCCCCCCC(=O)C#CC 1458a_100000763181_102130925996 [0,2,0,0,0,0|1,0,1]=4 9715 B17R0.250 C=CCCCCCCCCCCCC(=O)C=CC 1458a_100000210699_102130925996 [0,2,0,0,0,0|1,0,1]=4 9716 B17R0.250 C=CCCCCCCCCCCCC(=O)CCC 1458a_100000211992_102130925996 [0,2,0,0,0,0|1,0,0]=3 9717 B17R0.250 C=CCCCCCCCCCCCC(=O)CCO 1458a_100011216618_102130925996 [0,2,0,0,0,0|2,0,0]=4 9718 B17R0.250 C=CCCCCCCCCCCCC(=O)COC 1458a_100000210968_102130925996 [0,2,0,0,0,0|2,0,0]=4 9719 B17R0.250 C=CCCCCCCCCCCCC(=O)CSC 1458a_100000184570_102130925996 [0,2,0,0,0,0|2,0,0]=4 9720 B17R0.250 C=CCCCCCCCCCNCC(=O)CCC 2230a_100000081888_100000747444 [0,2,0,0,0,0|1,0,1]=4 9721 B17R0.250 C=CCCCCCCCCCNCC(=O)NCC 2230a_100000081888_100000183381 [0,2,0,0,0,0|0,0,1]=3 9722 B17R0.250 C=CCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100009814027 [0,2,0,0,0,0|0,0,1]=3 9723 B17R0.250 C=CCCCCCCCCCNCC(=O)NCC 34a_100000081888_100000183381 [0,2,0,0,0,0|0,0,1]=3 9724 B17R0.250 C=CCCCCCCCCCNCC(=O)NCO 2230a_100000081888_100000185155 [0,2,0,0,0,0|1,0,1]=4 9725 B17R0.250 C=CCCCCCCCCCNCC(=O)NCO 34a_100000081888_100000185155 [0,2,0,0,0,0|1,0,1]=4 9726 B17R0.250 C=CCCCCCCCCCNCC(=O)OCC 2230a_100000081888_100000188475 [0,2,0,0,0,0|1,0,1]=4 9727 B17R0.250 C=CCCCCCCCCCNCC(=O)OCC 34a_100000081888_100000188475 [0,2,0,0,0,0|1,0,1]=4 9728 B17R0.250 C=CCCCCCCCCCOCC(=O)CCC 7a_100000038209_100000747444 [0,2,0,0,0,0|1,0,1]=4 9729 B17R0.250 C=CCCCCCCCCCOCC(=O)NCC 34a_100000038209_100000183381 [0,2,0,0,0,0|0,0,1]=3 9730 B17R0.250 C=CCCCCCCCCCOCC(=O)NCC 7a_100000038209_100000183381 [0,2,0,0,0,0|0,0,1]=3 9731 B17R0.250 C=CCCCCCCCCCOCC(=O)NCO 34a_100000038209_100000185155 [0,2,0,0,0,0|1,0,1]=4 9732 B17R0.250 C=CCCCCCCCCCOCC(=O)NCO 7a_100000038209_100000185155 [0,2,0,0,0,0|1,0,1]=4 9733 B17R0.250 C=CCCCCCCCCCOCC(=O)OCC 34a_100000038209_100000188475 [0,2,0,0,0,0|1,0,1]=4 9734 B17R0.250 C=CCCCCCCCCCOCC(=O)OCC 7a_100000038209_100000188475 [0,2,0,0,0,0|1,0,1]=4 9735 B17R0.250 C=CCCCCCCCCCSCC(=O)CCC 62a_100000747444_100009814027 [0,2,0,0,0,0|1,0,1]=4 9736 B17R0.250 C=CCCCCCCCCCSCC(=O)CCC 62a_100009814027_100000747444 [0,2,0,0,0,0|1,0,1]=4 9737 B17R0.250 C=CCCCCCCCCCSCC(=O)NCC 62a_100000183381_100009814027 [0,2,0,0,0,0|0,0,1]=3 9738 B17R0.250 C=CCCCCCCCCCSCC(=O)NCC 62a_100009814027_100000183381 [0,2,0,0,0,0|0,0,1]=3 9739 B17R0.250 C=CCCCCCCCCCSCC(=O)NCO 62a_100000185155_100009814027 [0,2,0,0,0,0|1,0,1]=4 9740 B17R0.250 C=CCCCCCCCCCSCC(=O)NCO 62a_100009814027_100000185155 [0,2,0,0,0,0|1,0,1]=4 9741 B17R0.250 C=CCCCCCCCCCSCC(=O)OCC 62a_100000188475_100009814027 [0,2,0,0,0,0|1,0,1]=4 9742 B17R0.250 C=CCCCCCCCCCSCC(=O)OCC 62a_100009814027_100000188475 [0,2,0,0,0,0|1,0,1]=4 9743 B17R0.250 C=CCCCCCCCCNCCC(=O)NCC 34a_100025743525_100011933949 [0,2,0,0,0,0|0,0,1]=3 9744 B17R0.250 C=CCCCCCCCCOCCC(=O)NCC 7a_100011215194_100000737597 [0,2,0,0,0,0|0,0,1]=3 9745 B17R0.250 C=CCCCCCCCCOCCC(=O)OCC 34a_100011215194_100000765890 [0,2,0,0,0,0|1,0,1]=4 9746 B17R0.250 C=CCCCCCCCCOCCC(=O)OCC 7a_100011215194_100011206558 [0,2,0,0,0,0|1,0,1]=4 9747 B17R0.250 C=CCCCCCCCCSCCC(=O)NCC 62a_100000737597_100011933949 [0,2,0,0,0,0|0,0,1]=3 9748 B17R0.250 C=CCCCCCCCCSCCC(=O)NCC 62a_100011933949_100000737597 [0,2,0,0,0,0|0,0,1]=3 9749 B17R0.250 C=CCCCCCCCCSCCC(=O)OCC 62a_100000765890_100011933949 [0,2,0,0,0,0|1,0,1]=4 9750 B17R0.250 C=CCCCCCCCCSCCC(=O)OCC 62a_100011933949_100000765890 [0,2,0,0,0,0|1,0,1]=4 9751 B17R0.250 C=CCCCCCCCOCCCC(=O)OCC 34a_100000730831_100009991533 [0,2,0,0,0,0|1,0,1]=4 9752 B17R0.250 C=CCCCCCCCOCCCC(=O)OCC 7a_100000730831_100011215271 [0,2,0,0,0,0|1,0,1]=4 9753 B17R0.250 C=CCCCCCCCOCCCC(=O)OCC 7a_100012001163_100012355270 [0,2,0,0,0,0|1,0,1]=4 9754 B17R0.250 C=CCCCCCCCSCCCC(=O)OCC 62a_100009991533_100012355270 [0,2,0,0,0,0|1,0,1]=4 9755 B17R0.250 C=CCCCCCCCSCCCC(=O)OCC 62a_100012355270_100009991533 [0,2,0,0,0,0|1,0,1]=4 9756 B17R0.250 C=CCCCCCCOCCCCC(=O)OCC 34a_200011216477_100000750268 [0,2,0,0,0,0|1,0,1]=4 9757 B17R0.250 C=CCCCCCCOCCCCC(=O)OCC 7a_200011216477_100000750268 [0,2,0,0,0,0|1,0,1]=4 9758 B17R0.250 C=CCCCCCCSCCCCC(=O)OCC 62a_100000750268_100011215473 [0,2,0,0,0,0|1,0,1]=4 9759 B17R0.250 C=CCCCCCCSCCCCC(=O)OCC 62a_100011215473_100000750268 [0,2,0,0,0,0|1,0,1]=4 9760 B17R0.250 C=CCCCCCOCCCCCC(=O)OCC 34a_100011216702_100000755133 [0,2,0,0,0,0|1,0,1]=4 9761 B17R0.250 C=CCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000700193 [0,2,0,0,0,0|1,0,1]=4 9762 B17R0.250 C=CCCCCCOCCCCCC(=O)OCC 7a_100011216702_100000755133 [0,2,0,0,0,0|1,0,1]=4 9763 B17R0.250 C=CCCCCCSCCCCCC(=O)OCC 62a_100000700193_100000755133 [0,2,0,0,0,0|1,0,1]=4 9764 B17R0.250 C=CCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000700193 [0,2,0,0,0,0|1,0,1]=4 9765 B17R0.250 C=CCCCCNCCCCCCC(=O)OCC 2230a_100000703577_100009814379 [0,2,0,0,0,0|1,0,1]=4 9766 B17R0.250 C=CCCCCNCCCCCCC(=O)OCC 34a_100000703577_100009814379 [0,2,0,0,0,0|1,0,1]=4 9767 B17R0.250 C=CCCCCOCCCCCCC(=O)OCC 34a_100000766645_100009814379 [0,2,0,0,0,0|1,0,1]=4 9768 B17R0.250 C=CCCCCOCCCCCCC(=O)OCC 7a_100000766645_100009814379 [0,2,0,0,0,0|1,0,1]=4 9769 B17R0.250 C=CCCCCSCCCCCCC(=O)OCC 62a_100011215482_100009814379 [0,2,0,0,0,0|1,0,1]=4 9770 B17R0.250 C=CCCCNCCCCCCCC(=O)OCC 2230a_100000700776_100009991516 [0,2,0,0,0,0|1,0,1]=4 9771 B17R0.250 C=CCCCNCCCCCCCC(=O)OCC 34a_100000700776_100009991516 [0,2,0,0,0,0|1,0,1]=4 9772 B17R0.250 C=CCCCOCCCCCCCC(=O)OCC 34a_100000758997_100009991516 [0,2,0,0,0,0|1,0,1]=4 9773 B17R0.250 C=CCCCOCCCCCCCC(=O)OCC 7a_100000758997_100009991516 [0,2,0,0,0,0|1,0,1]=4 9774 B17R0.250 C=CCCCSCCCCCCCC(=O)OCC 62a_100011713584_100009991516 [0,2,0,0,0,0|1,0,1]=4 9775 B17R0.250 C=CCCNCCCCCCCCC(=O)OCC 2230a_100015191253_100010175975 [0,2,0,0,0,0|1,0,1]=4 9776 B17R0.250 C=CCCOCCCCCCCCC(=O)OCC 34a_100011205117_100010175975 [0,2,0,0,0,0|1,0,1]=4 9777 B17R0.250 C=CCCSCCCCCCCCC(=O)OCC 62a_100000754431_100010175975 [0,2,0,0,0,0|1,0,1]=4 9778 B17R0.250 C=CCNCCCCCCCCCC(=O)OCC 2230a_100020586998_100009828014 [0,2,0,0,0,0|1,0,1]=4 9779 B17R0.250 C=CCOCCCCCCCCCC(=O)OCC 34a_200000210373_100009828014 [0,2,0,0,0,0|1,0,1]=4 9780 B17R0.250 C=CCSCCCCCCCCCC(=O)OCC 62a_100000210623_100009828014 [0,2,0,0,0,0|1,0,1]=4 9781 B17R0.250 CC#CC(=O)CCCCCCCCCCCCC 1458a_100000763181_100000210684 [0,2,0,0,0,0|1,0,1]=4 9782 B17R0.250 CC#CC(=O)CCCCCCCCCCCCO 1458a_100000763181_100009813331 [0,2,0,0,0,0|1,0,1]=4 9783 B17R0.250 CC#CC(=O)CCCCCCOCCCCCO 1458a_100000763181_200132310570 [0,2,0,0,0,0|1,0,1]=4 9784 B17R0.250 CC#CCCOCCCCCCCC(=O)OCC 34a_100000750427_100009991516 [0,2,0,0,0,0|1,0,1]=4 9785 B17R0.250 CC#CCNCCCCCCCCC(=O)OCC 2230a_100000685387_100010175975 [0,2,0,0,0,0|1,0,1]=4 9786 B17R0.250 CC#CCNCCCCCCCCC(=O)OCC 34a_100000685387_100010175975 [0,2,0,0,0,0|1,0,1]=4 9787 B17R0.250 CC#CCOCCCCCCCCC(=O)OCC 34a_100000761923_100010175975 [0,2,0,0,0,0|1,0,1]=4 9788 B17R0.250 CC#CCSCCCCCCCCC(=O)OCC 62a_100000748600_100010175975 [0,2,0,0,0,0|1,0,1]=4 9789 B17R0.250 CC/C=C/CCCOCCCCCC(=O)OCC 34a_100016287902_100000755133 [0,2,0,0,0,0|1,0,1]=4 9790 B17R0.250 CC/C=C/CCCOCCCCCC(=O)OCC 7a_100016287902_100000755133 [0,2,0,0,0,0|1,0,1]=4 9791 B17R0.250 CC/C=C\CCCCCOCCCC(=O)OCC 34a_100016268722_100009991533 [0,2,0,0,0,0|1,0,1]=4 9792 B17R0.250 CC/C=C\CCCCCOCCCC(=O)OCC 7a_100016268722_100011215271 [0,2,0,0,0,0|1,0,1]=4 9793 B17R0.250 CC/C=C\CCCCOCCCCC(=O)OCC 34a_100016287862_100000750268 [0,2,0,0,0,0|1,0,1]=4 9794 B17R0.250 CC/C=C\CCCCOCCCCC(=O)OCC 7a_100016287862_100000750268 [0,2,0,0,0,0|1,0,1]=4 9795 B17R0.250 CC/C=C\CCOCCCCCCC(=O)OCC 34a_100016288707_100009814379 [0,2,0,0,0,0|1,0,1]=4 9796 B17R0.250 CC/C=C\CCOCCCCCCC(=O)OCC 7a_100016288707_100009814379 [0,2,0,0,0,0|1,0,1]=4 9797 B17R0.250 CC/C=C\CCSCCCCCCC(=O)OCC 62a_100015370543_100009814379 [0,2,0,0,0,0|1,0,1]=4 9798 B17R0.250 CC/C=C\COCCCCCCCC(=O)OCC 34a_100016268518_100009991516 [0,2,0,0,0,0|1,0,1]=4 9799 B17R0.250 CC/C=C\CSCCCCCCCC(=O)OCC 62a_100103147603_100009991516 [0,2,0,0,0,0|1,0,1]=4 9800 B17R0.250 CC=CC(=O)CCCCCCCCCCCCC 1458a_100000210699_100000210684 [0,2,0,0,0,0|1,0,1]=4 9801 B17R0.250 CC=CC(=O)CCCCCCCCCCCCO 1458a_100000210699_100009813331 [0,2,0,0,0,0|1,0,1]=4 9802 B17R0.250 CC=CC(=O)CCCCCCOCCCCCO 1458a_100000210699_200132310570 [0,2,0,0,0,0|1,0,1]=4 9803 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 11a_100000210451_100000210699 [0,2,0,0,0,0|1,0,1]=4 9804 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 1626a_100000210451_100000210699 [0,2,0,0,0,0|1,0,1]=4 9805 B17R0.250 CC=CC(=O)NCCCCCCCCCCCC 240690a_100000210451_100000210699 [0,2,0,0,0,0|1,0,1]=4 9806 B17R0.250 CC=CCCCOCCCCCCC(=O)OCC 34a_100020645299_100009814379 [0,2,0,0,0,0|1,0,1]=4 9807 B17R0.250 CC=CCSCCCCCCCCC(=O)OCC 62a_100000070051_100010175975 [0,2,0,0,0,0|1,0,1]=4 9808 B17R0.250 CCC#CCCCCCCNCCC(=O)NCC 34a_100025743525_200000036426 [0,2,0,0,0,0|0,0,1]=3 9809 B17R0.250 CCC#CCCCCCCSCCC(=O)NCC 62a_100000737597_200000036426 [0,2,0,0,0,0|0,0,1]=3 9810 B17R0.250 CCC#CCCCCCCSCCC(=O)NCC 62a_200000036426_100000737597 [0,2,0,0,0,0|0,0,1]=3 9811 B17R0.250 CCC#CCCCCCCSCCC(=O)OCC 62a_100000765890_200000036426 [0,2,0,0,0,0|1,0,1]=4 9812 B17R0.250 CCC#CCCCCCCSCCC(=O)OCC 62a_200000036426_100000765890 [0,2,0,0,0,0|1,0,1]=4 9813 B17R0.250 CCC#CCCOCCCCCCC(=O)OCC 34a_100000036655_100009814379 [0,2,0,0,0,0|1,0,1]=4 9814 B17R0.250 CCC#CCCOCCCCCCC(=O)OCC 7a_100000036655_100009814379 [0,2,0,0,0,0|1,0,1]=4 9815 B17R0.250 CCC#CCOCCCCCCCC(=O)OCC 34a_100000032950_100009991516 [0,2,0,0,0,0|1,0,1]=4 9816 B17R0.250 CCC#CCSCCCCCCCC(=O)OCC 62a_100009813939_100009991516 [0,2,0,0,0,0|1,0,1]=4 9817 B17R0.250 CCC/C=C/COCCCCCCC(=O)OCC 34a_100016278788_100009814379 [0,2,0,0,0,0|1,0,1]=4 9818 B17R0.250 CCC/C=C/COCCCCCCC(=O)OCC 7a_100016278788_100009814379 [0,2,0,0,0,0|1,0,1]=4 9819 B17R0.250 CCCC#CCCOCCCCCC(=O)OCC 34a_100000042726_100000755133 [0,2,0,0,0,0|1,0,1]=4 9820 B17R0.250 CCCC#CCCOCCCCCC(=O)OCC 7a_100000042726_100000755133 [0,2,0,0,0,0|1,0,1]=4 9821 B17R0.250 CCCC#CCOCCCCCCC(=O)OCC 34a_100000034806_100009814379 [0,2,0,0,0,0|1,0,1]=4 9822 B17R0.250 CCCC#CCOCCCCCCC(=O)OCC 7a_100000034806_100009814379 [0,2,0,0,0,0|1,0,1]=4 9823 B17R0.250 CCCC(=O)CCCCCCCCCCCCO 1458a_100000211992_100009813331 [0,2,0,0,0,0|1,0,0]=3 9824 B17R0.250 CCCC(=O)CCCCCCOCCCCCO 1458a_100000211992_200132310570 [0,2,0,0,0,0|1,0,0]=3 9825 B17R0.250 CCCC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747444 [0,2,0,0,0,0|1,0,0]=3 9826 B17R0.250 CCCC(=O)COCCCCCCCCCCBr 7a_100009813290_100000747444 [0,2,0,0,0,0|1,0,0]=3 9827 B17R0.250 CCCC(=O)COCCCCCCCCCCCl 7a_200000033068_100000747444 [0,2,0,0,0,0|1,0,0]=3 9828 B17R0.250 CCCC(=O)CSCCCCCCCCCCO 62a_100000747444_200000033068 [0,2,0,0,0,0|1,0,0]=3 9829 B17R0.250 CCCC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747444 [0,2,0,0,0,0|1,0,0]=3 9830 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 2230a_100000078944_100000034017 [0,2,0,0,0,0|2,0,0]=4 9831 B17R0.250 CCCC(=O)OCNCCCCCCCCCO 34a_100000078944_100000034017 [0,2,0,0,0,0|2,0,0]=4 9832 B17R0.250 CCCC(=O)OCOCCCCCCCCCBr 34a_100009813782_100000034017 [0,2,0,0,0,0|2,0,0]=4 9833 B17R0.250 CCCC(=O)OCOCCCCCCCCCCl 34a_100009868337_100000034017 [0,2,0,0,0,0|2,0,0]=4 9834 B17R0.250 CCCC(=O)OCOCCCCCCCCCN 34a_100000078944_100000034017 [0,2,0,0,0,0|2,0,0]=4 9835 B17R0.250 CCCC(=O)OCSCCCCCCCCCO 62a_100009813782_100000034017 [0,2,0,0,0,0|2,0,0]=4 9836 B17R0.250 CCCC/C=C/CCCCOCCC(=O)NCC 7a_200020645093_100000737597 [0,2,0,0,0,0|0,0,1]=3 9837 B17R0.250 CCCC/C=C/CCCCOCCC(=O)OCC 34a_200020645093_100000765890 [0,2,0,0,0,0|1,0,1]=4 9838 B17R0.250 CCCC/C=C/CCCCOCCC(=O)OCC 7a_200020645093_100011206558 [0,2,0,0,0,0|1,0,1]=4 9839 B17R0.250 CCCC/C=C/COCCCCCC(=O)OCC 34a_200016272032_100000755133 [0,2,0,0,0,0|1,0,1]=4 9840 B17R0.250 CCCC/C=C/COCCCCCC(=O)OCC 7a_200016272032_100000755133 [0,2,0,0,0,0|1,0,1]=4 9841 B17R0.250 CCCC/C=C\CCOCCCCC(=O)OCC 34a_200016286491_100000750268 [0,2,0,0,0,0|1,0,1]=4 9842 B17R0.250 CCCC/C=C\CCOCCCCC(=O)OCC 7a_200016286491_100000750268 [0,2,0,0,0,0|1,0,1]=4 9843 B17R0.250 CCCCC#CCCCCOCCC(=O)NCC 7a_200000066234_100000737597 [0,2,0,0,0,0|0,0,1]=3 9844 B17R0.250 CCCCC#CCCCCOCCC(=O)OCC 34a_200000066234_100000765890 [0,2,0,0,0,0|1,0,1]=4 9845 B17R0.250 CCCCC#CCCCCOCCC(=O)OCC 7a_200000066234_100011206558 [0,2,0,0,0,0|1,0,1]=4 9846 B17R0.250 CCCCC#CCCCOCCCC(=O)OCC 7a_100012001163_200000047210 [0,2,0,0,0,0|1,0,1]=4 9847 B17R0.250 CCCCC#CCCCSCCCC(=O)OCC 62a_100009991533_200000047210 [0,2,0,0,0,0|1,0,1]=4 9848 B17R0.250 CCCCC#CCCCSCCCC(=O)OCC 62a_200000047210_100009991533 [0,2,0,0,0,0|1,0,1]=4 9849 B17R0.250 CCCCC#CCCOCCCCC(=O)OCC 34a_100000037610_100000750268 [0,2,0,0,0,0|1,0,1]=4 9850 B17R0.250 CCCCC#CCCOCCCCC(=O)OCC 7a_100000037610_100000750268 [0,2,0,0,0,0|1,0,1]=4 9851 B17R0.250 CCCCC#CCOCCCCCC(=O)OCC 34a_200000034558_100000755133 [0,2,0,0,0,0|1,0,1]=4 9852 B17R0.250 CCCCC#CCOCCCCCC(=O)OCC 7a_200000034558_100000755133 [0,2,0,0,0,0|1,0,1]=4 9853 B17R0.250 CCCCC/C=C/COCCCCC(=O)OCC 34a_100016258190_100000750268 [0,2,0,0,0,0|1,0,1]=4 9854 B17R0.250 CCCCC/C=C/COCCCCC(=O)OCC 7a_100016258190_100000750268 [0,2,0,0,0,0|1,0,1]=4 9855 B17R0.250 CCCCC/C=C\CCCOCCC(=O)NCC 7a_100020655193_100000737597 [0,2,0,0,0,0|0,0,1]=3 9856 B17R0.250 CCCCC/C=C\CCCOCCC(=O)OCC 34a_100020655193_100000765890 [0,2,0,0,0,0|1,0,1]=4 9857 B17R0.250 CCCCC/C=C\CCCOCCC(=O)OCC 7a_100020655193_100011206558 [0,2,0,0,0,0|1,0,1]=4 9858 B17R0.250 CCCCC/C=C\CCOCCCC(=O)OCC 34a_100016277358_100009991533 [0,2,0,0,0,0|1,0,1]=4 9859 B17R0.250 CCCCC/C=C\CCOCCCC(=O)OCC 7a_100016277358_100011215271 [0,2,0,0,0,0|1,0,1]=4 9860 B17R0.250 CCCCCC#CCCOCCCC(=O)OCC 34a_200000042877_100009991533 [0,2,0,0,0,0|1,0,1]=4 9861 B17R0.250 CCCCCC#CCCOCCCC(=O)OCC 7a_200000042877_100011215271 [0,2,0,0,0,0|1,0,1]=4 9862 B17R0.250 CCCCCC#CCOCCCCC(=O)OCC 34a_200000033628_100000750268 [0,2,0,0,0,0|1,0,1]=4 9863 B17R0.250 CCCCCC#CCOCCCCC(=O)OCC 7a_200000033628_100000750268 [0,2,0,0,0,0|1,0,1]=4 9864 B17R0.250 CCCCCC#CCSCCCCC(=O)OCC 62a_100000750268_100009816472 [0,2,0,0,0,0|1,0,1]=4 9865 B17R0.250 CCCCCC#CCSCCCCC(=O)OCC 62a_100009816472_100000750268 [0,2,0,0,0,0|1,0,1]=4 9866 B17R0.250 CCCCCC/C=C/COCCCC(=O)OCC 34a_200016276170_100009991533 [0,2,0,0,0,0|1,0,1]=4 9867 B17R0.250 CCCCCC/C=C/COCCCC(=O)OCC 7a_200016276170_100011215271 [0,2,0,0,0,0|1,0,1]=4 9868 B17R0.250 CCCCCCC#CCCOCCC(=O)NCC 7a_200000033163_100000737597 [0,2,0,0,0,0|0,0,1]=3 9869 B17R0.250 CCCCCCC#CCCOCCC(=O)OCC 34a_200000033163_100000765890 [0,2,0,0,0,0|1,0,1]=4 9870 B17R0.250 CCCCCCC#CCCOCCC(=O)OCC 7a_200000033163_100011206558 [0,2,0,0,0,0|1,0,1]=4 9871 B17R0.250 CCCCCCC#CCOCCCC(=O)OCC 34a_200000037284_100009991533 [0,2,0,0,0,0|1,0,1]=4 9872 B17R0.250 CCCCCCC#CCOCCCC(=O)OCC 7a_200000037284_100011215271 [0,2,0,0,0,0|1,0,1]=4 9873 B17R0.250 CCCCCCCC#CCOCCC(=O)NCC 7a_200000061759_100000737597 [0,2,0,0,0,0|0,0,1]=3 9874 B17R0.250 CCCCCCCC#CCOCCC(=O)OCC 34a_200000061759_100000765890 [0,2,0,0,0,0|1,0,1]=4 9875 B17R0.250 CCCCCCCC#CCOCCC(=O)OCC 7a_200000061759_100011206558 [0,2,0,0,0,0|1,0,1]=4 9876 B17R0.250 CCCCCCCC/C=C/COCC(=O)CCC 7a_200020667288_100000747444 [0,2,0,0,0,0|1,0,1]=4 9877 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCC 34a_200020667288_100000183381 [0,2,0,0,0,0|0,0,1]=3 9878 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCC 7a_200020667288_100000183381 [0,2,0,0,0,0|0,0,1]=3 9879 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCO 34a_200020667288_100000185155 [0,2,0,0,0,0|1,0,1]=4 9880 B17R0.250 CCCCCCCC/C=C/COCC(=O)NCO 7a_200020667288_100000185155 [0,2,0,0,0,0|1,0,1]=4 9881 B17R0.250 CCCCCCCC/C=C/COCC(=O)OCC 34a_200020667288_100000188475 [0,2,0,0,0,0|1,0,1]=4 9882 B17R0.250 CCCCCCCC/C=C/COCC(=O)OCC 7a_200020667288_100000188475 [0,2,0,0,0,0|1,0,1]=4 9883 B17R0.250 CCCCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218819 [0,2,0,0,0,0|1,0,1]=4 9884 B17R0.250 CCCCCCCCCCCCCC(=O)CCF 1458a_100000756256_100011217306 [0,2,0,0,0,0|2,0,0]=4 9885 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100000756256_100000211926 [0,2,0,0,0,0|2,0,0]=4 9886 B17R0.250 CCCCCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210684 [0,2,0,0,0,0|2,0,0]=4 9887 B17R0.250 CCCCCCCCCCCCCC(=O)COC 1458a_100000210968_100000210684 [0,2,0,0,0,0|2,0,0]=4 9888 B17R0.250 CCCCCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210684 [0,2,0,0,0,0|2,0,0]=4 9889 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 11a_100015525214_100000756256 [0,2,0,0,0,0|0,0,0]=2 9890 B17R0.250 CCCCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000756256 [0,2,0,0,0,0|0,0,0]=2 9891 B17R0.250 CCCCCCCCCCCCCC(=O)NNC 22a_100016993582_100000756256 [0,2,0,0,0,0|1,0,0]=3 9892 B17R0.250 CCCCCCCCCCCCCC(C)NCC 270004a_100015525214_100011216122 [0,2,0,0,0,0|1,0,1]=4 9893 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 11a_100000210451_100000211992 [0,2,0,0,0,0|1,0,0]=3 9894 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 1626a_100000210451_100000211992 [0,2,0,0,0,0|1,0,0]=3 9895 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 240690a_100000210451_100000211992 [0,2,0,0,0,0|1,0,0]=3 9896 B17R0.250 CCCCCCCCCCCCNC(=O)CCC 527a_100000210451_100000211992 [0,2,0,0,0,0|1,0,0]=3 9897 B17R0.250 CCCCCCCCCCCCNC(=O)CCO 240690a_100000210451_100011216618 [0,2,0,0,0,0|2,0,0]=4 9898 B17R0.250 CCCCCCCCCCCCNC(=O)COC 11a_100000210451_100000210968 [0,2,0,0,0,0|2,0,0]=4 9899 B17R0.250 CCCCCCCCCCCCNC(=O)COC 1626a_100000210451_100000210968 [0,2,0,0,0,0|2,0,0]=4 9900 B17R0.250 CCCCCCCCCCCCNC(=O)COC 240690a_100000210451_100000210968 [0,2,0,0,0,0|2,0,0]=4 9901 B17R0.250 CCCCCCCCCCCCNC(=O)COC 527a_100000210451_100000210968 [0,2,0,0,0,0|2,0,0]=4 9902 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 11a_100000210451_100000184570 [0,2,0,0,0,0|2,0,0]=4 9903 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 1626a_100000210451_100000184570 [0,2,0,0,0,0|2,0,0]=4 9904 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 240690a_100000210451_100000184570 [0,2,0,0,0,0|2,0,0]=4 9905 B17R0.250 CCCCCCCCCCCCNC(=O)CSC 527a_100000210451_100000184570 [0,2,0,0,0,0|2,0,0]=4 9906 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100000210451_100015525214 [0,2,0,0,0,0|0,0,0]=2 9907 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000210451 [0,2,0,0,0,0|0,0,0]=2 9908 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100000210451_100015525214 [0,2,0,0,0,0|0,0,0]=2 9909 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000210451 [0,2,0,0,0,0|0,0,0]=2 9910 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100000210451_100015525214 [0,2,0,0,0,0|0,0,0]=2 9911 B17R0.250 CCCCCCCCCCCCNC(=O)NCC 512a_100015525214_100000210451 [0,2,0,0,0,0|0,0,0]=2 9912 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 273464a_100000210451_100016993582 [0,2,0,0,0,0|1,0,0]=3 9913 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100000210451_100016993582 [0,2,0,0,0,0|1,0,0]=3 9914 B17R0.250 CCCCCCCCCCCCNC(=O)NNC 512a_100016993582_100000210451 [0,2,0,0,0,0|1,0,0]=3 9915 B17R0.250 CCCCCCCCCCCNCC(=O)CCC 2230a_200011215754_100000747444 [0,2,0,0,0,0|1,0,0]=3 9916 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011215454 [0,2,0,0,0,0|0,0,0]=2 9917 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 2230a_200011215754_100000183381 [0,2,0,0,0,0|0,0,0]=2 9918 B17R0.250 CCCCCCCCCCCNCC(=O)NCC 34a_200011215754_100000183381 [0,2,0,0,0,0|0,0,0]=2 9919 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 2230a_200011215754_100000185155 [0,2,0,0,0,0|1,0,0]=3 9920 B17R0.250 CCCCCCCCCCCNCC(=O)NCO 34a_200011215754_100000185155 [0,2,0,0,0,0|1,0,0]=3 9921 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 2230a_200011215754_100000188475 [0,2,0,0,0,0|1,0,0]=3 9922 B17R0.250 CCCCCCCCCCCNCC(=O)OCC 34a_200011215754_100000188475 [0,2,0,0,0,0|1,0,0]=3 9923 B17R0.250 CCCCCCCCCCCOCC(=O)CCC 7a_100000210809_100000747444 [0,2,0,0,0,0|1,0,0]=3 9924 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 34a_100000210809_100000183381 [0,2,0,0,0,0|0,0,0]=2 9925 B17R0.250 CCCCCCCCCCCOCC(=O)NCC 7a_100000210809_100000183381 [0,2,0,0,0,0|0,0,0]=2 9926 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 34a_100000210809_100000185155 [0,2,0,0,0,0|1,0,0]=3 9927 B17R0.250 CCCCCCCCCCCOCC(=O)NCO 7a_100000210809_100000185155 [0,2,0,0,0,0|1,0,0]=3 9928 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 34a_100000210809_100000188475 [0,2,0,0,0,0|1,0,0]=3 9929 B17R0.250 CCCCCCCCCCCOCC(=O)OCC 7a_100000210809_100000188475 [0,2,0,0,0,0|1,0,0]=3 9930 B17R0.250 CCCCCCCCCCCSCC(=O)CCC 62a_100000747444_100011215454 [0,2,0,0,0,0|1,0,0]=3 9931 B17R0.250 CCCCCCCCCCCSCC(=O)NCC 62a_100000183381_100011215454 [0,2,0,0,0,0|0,0,0]=2 9932 B17R0.250 CCCCCCCCCCCSCC(=O)NCO 62a_100000185155_100011215454 [0,2,0,0,0,0|1,0,0]=3 9933 B17R0.250 CCCCCCCCCCCSCC(=O)OCC 62a_100000188475_100011215454 [0,2,0,0,0,0|1,0,0]=3 9934 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 2230a_100000684558_100000737597 [0,2,0,0,0,0|0,0,0]=2 9935 B17R0.250 CCCCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210320 [0,2,0,0,0,0|0,0,0]=2 9936 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 2230a_100000684558_100011206558 [0,2,0,0,0,0|1,0,0]=3 9937 B17R0.250 CCCCCCCCCCNCCC(=O)OCC 34a_100000684558_100000765890 [0,2,0,0,0,0|1,0,0]=3 9938 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 2230a_100000684558_100000034017 [0,2,0,0,0,0|1,0,0]=3 9939 B17R0.250 CCCCCCCCCCNCOC(=O)CCC 34a_100000684558_100000034017 [0,2,0,0,0,0|1,0,0]=3 9940 B17R0.250 CCCCCCCCCCOCCC(=O)NCC 7a_100000210711_100000737597 [0,2,0,0,0,0|0,0,0]=2 9941 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 34a_100000210711_100000765890 [0,2,0,0,0,0|1,0,0]=3 9942 B17R0.250 CCCCCCCCCCOCCC(=O)OCC 7a_100000210711_100011206558 [0,2,0,0,0,0|1,0,0]=3 9943 B17R0.250 CCCCCCCCCCOCOC(=O)CCC 34a_100000210711_100000034017 [0,2,0,0,0,0|1,0,0]=3 9944 B17R0.250 CCCCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210320 [0,2,0,0,0,0|0,0,0]=2 9945 B17R0.250 CCCCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210320 [0,2,0,0,0,0|1,0,0]=3 9946 B17R0.250 CCCCCCCCCNC/C=C/C(=O)OCC 2230a_100000212291_100016267167 [0,2,0,0,0,0|1,0,1]=4 9947 B17R0.250 CCCCCCCCCNC/C=C/C(=O)OCC 34a_100000212291_100016267167 [0,2,0,0,0,0|1,0,1]=4 9948 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 2230a_100000212291_100009991533 [0,2,0,0,0,0|1,0,0]=3 9949 B17R0.250 CCCCCCCCCNCCCC(=O)OCC 34a_100000212291_100009991533 [0,2,0,0,0,0|1,0,0]=3 9950 B17R0.250 CCCCCCCCCOC/C=C/C(=O)OCC 34a_100000210712_100016267167 [0,2,0,0,0,0|1,0,1]=4 9951 B17R0.250 CCCCCCCCCOC/C=C/C(=O)OCC 7a_100000210712_100016267167 [0,2,0,0,0,0|1,0,1]=4 9952 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 34a_100000210712_100009991533 [0,2,0,0,0,0|1,0,0]=3 9953 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100000210712_100011215271 [0,2,0,0,0,0|1,0,0]=3 9954 B17R0.250 CCCCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210328 [0,2,0,0,0,0|1,0,0]=3 9955 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 34a_100000158857_100011214924 [0,2,0,0,0,0|1,0,0]=3 9956 B17R0.250 CCCCCCCCCOCCNC(=O)OCC 7a_100000210712_200011445536 [0,2,0,0,0,0|1,0,0]=3 9957 B17R0.250 CCCCCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210670 [0,2,0,0,0,0|1,0,1]=4 9958 B17R0.250 CCCCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210670 [0,2,0,0,0,0|1,0,0]=3 9959 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 2230a_100000229939_100000750268 [0,2,0,0,0,0|1,0,0]=3 9960 B17R0.250 CCCCCCCCNCCCCC(=O)OCC 34a_100000229939_100000750268 [0,2,0,0,0,0|1,0,0]=3 9961 B17R0.250 CCCCCCCCNCCOCC(=O)OCC 2230a_100000229939_100000088970 [0,2,0,0,0,0|1,0,0]=3 9962 B17R0.250 CCCCCCCCNCCOCC(=O)OCC 34a_100000229939_100000088970 [0,2,0,0,0,0|1,0,0]=3 9963 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 34a_100000210232_100000750268 [0,2,0,0,0,0|1,0,0]=3 9964 B17R0.250 CCCCCCCCOCCCCC(=O)OCC 7a_100000210232_100000750268 [0,2,0,0,0,0|1,0,0]=3 9965 B17R0.250 CCCCCCCCOCCOCC(=O)OCC 34a_100000210232_100000088970 [0,2,0,0,0,0|1,0,0]=3 9966 B17R0.250 CCCCCCCCOCCOCC(=O)OCC 7a_100000210232_100000088970 [0,2,0,0,0,0|1,0,0]=3 9967 B17R0.250 CCCCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210759 [0,2,0,0,0,0|1,0,0]=3 9968 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000210759_100000750268 [0,2,0,0,0,0|1,0,0]=3 9969 B17R0.250 CCCCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210317 [0,2,0,0,0,0|1,0,0]=3 9970 B17R0.250 CCCCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210317 [0,2,0,0,0,0|1,0,0]=3 9971 B17R0.250 CCCCCCCCSCCOCC(=O)OCC 62a_100000210759_100000088970 [0,2,0,0,0,0|1,0,0]=3 9972 B17R0.250 CCCCCCCNCCCCCC(=O)OCC 2230a_100000229938_100000755133 [0,2,0,0,0,0|1,0,0]=3 9973 B17R0.250 CCCCCCCNCCCOCC(=O)OCC 2230a_100000229938_100009893628 [0,2,0,0,0,0|1,0,0]=3 9974 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 34a_100000210272_100000755133 [0,2,0,0,0,0|1,0,0]=3 9975 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100000210272_100000755133 [0,2,0,0,0,0|1,0,0]=3 9976 B17R0.250 CCCCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210614 [0,2,0,0,0,0|1,0,0]=3 9977 B17R0.250 CCCCCCCOCCCOCC(=O)OCC 34a_100000210272_100009893628 [0,2,0,0,0,0|1,0,0]=3 9978 B17R0.250 CCCCCCCOCCCOCC(=O)OCC 7a_100000210272_100009893628 [0,2,0,0,0,0|1,0,0]=3 9979 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000210614_100000755133 [0,2,0,0,0,0|1,0,0]=3 9980 B17R0.250 CCCCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210316 [0,2,0,0,0,0|1,0,0]=3 9981 B17R0.250 CCCCCCCSCCCOCC(=O)OCC 62a_100000210614_100009893628 [0,2,0,0,0,0|1,0,0]=3 9982 B17R0.250 CCCCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210316 [0,2,0,0,0,0|1,0,0]=3 9983 B17R0.250 CCCCCCNCCCCCCC(=O)OCC 2230a_100000210581_100009814379 [0,2,0,0,0,0|1,0,0]=3 9984 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 34a_100000210259_100009814379 [0,2,0,0,0,0|1,0,0]=3 9985 B17R0.250 CCCCCCOCCCCCCC(=O)OCC 7a_100000210259_100009814379 [0,2,0,0,0,0|1,0,0]=3 9986 B17R0.250 CCCCCCOCCOCCCC(=O)OCC 34a_100000691444_100009991533 [0,2,0,0,0,0|1,0,0]=3 9987 B17R0.250 CCCCCCOCCOCCCC(=O)OCC 7a_100000691444_100011215271 [0,2,0,0,0,0|1,0,0]=3 9988 B17R0.250 CCCCCCOCCOCCNC(=O)OCC 7a_100000691444_200011445536 [0,2,0,0,0,0|2,0,0]=4 9989 B17R0.250 CCCCCCSCCCCCCC(=O)OCC 62a_100000210314_100009814379 [0,2,0,0,0,0|1,0,0]=3 9990 B17R0.250 CCCCCNCCCCCCCC(=O)OCC 2230a_100000209983_100009991516 [0,2,0,0,0,0|1,0,0]=3 9991 B17R0.250 CCCCCNCCOCCCCC(=O)OCC 34a_100000224656_100000750268 [0,2,0,0,0,0|1,0,0]=3 9992 B17R0.250 CCCCCNCCOCCOCC(=O)OCC 34a_100000224656_100000088970 [0,2,0,0,0,0|2,0,0]=4 9993 B17R0.250 CCCCCNN=CCCCCCC(=O)OCC 4a_100000694160_100000085164 [0,2,0,0,0,0|1,0,1]=4 9994 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 34a_100000210253_100009991516 [0,2,0,0,0,0|1,0,0]=3 9995 B17R0.250 CCCCCOCCCCCCCC(=O)OCC 7a_100000210253_100009991516 [0,2,0,0,0,0|1,0,0]=3 9996 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 34a_100011215259_100000750268 [0,2,0,0,0,0|1,0,0]=3 9997 B17R0.250 CCCCCOCCOCCCCC(=O)OCC 7a_100011215259_100000750268 [0,2,0,0,0,0|1,0,0]=3 9998 B17R0.250 CCCCCOCCOCCOCC(=O)OCC 34a_100011215259_100000088970 [0,2,0,0,0,0|2,0,0]=4 9999 B17R0.250 CCCCCOCCOCCOCC(=O)OCC 7a_100011215259_100000088970 [0,2,0,0,0,0|2,0,0]=4 10000 B17R0.250 CCCCCSCCCCCCCC(=O)OCC 62a_100000210326_100009991516 [0,2,0,0,0,0|1,0,0]=3 10001 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 2230a_100000102301_100010175975 [0,2,0,0,0,0|1,0,0]=3 10002 B17R0.250 CCCCNCCCCCCCCC(=O)OCC 7a_106832991798_100010175975 [0,2,0,0,0,0|1,0,0]=3 10003 B17R0.250 CCCCNCCCCOCCCC(=O)OCC 34a_200011216965_100009991533 [0,2,0,0,0,0|1,0,0]=3 10004 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 34a_100000210227_100010175975 [0,2,0,0,0,0|1,0,0]=3 10005 B17R0.250 CCCCOCCCCCCCCC(=O)OCC 7a_100000210227_100010175975 [0,2,0,0,0,0|1,0,0]=3 10006 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 34a_200000760531_100009991533 [0,2,0,0,0,0|1,0,0]=3 10007 B17R0.250 CCCCOCCCCOCCCC(=O)OCC 7a_200000760531_100011215271 [0,2,0,0,0,0|1,0,0]=3 10008 B17R0.250 CCCCOCCCCOCCNC(=O)OCC 7a_200000760531_200011445536 [0,2,0,0,0,0|2,0,0]=4 10009 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 2230a_200000211371_100000750268 [0,2,0,0,0,0|1,0,0]=3 10010 B17R0.250 CCCCOCCCNCCCCC(=O)OCC 34a_200000211371_100000750268 [0,2,0,0,0,0|1,0,0]=3 10011 B17R0.250 CCCCOCCCNCCOCC(=O)OCC 2230a_200000211371_100000088970 [0,2,0,0,0,0|2,0,0]=4 10012 B17R0.250 CCCCOCCCNCCOCC(=O)OCC 34a_200000211371_100000088970 [0,2,0,0,0,0|2,0,0]=4 10013 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 34a_200011215613_100000750268 [0,2,0,0,0,0|1,0,0]=3 10014 B17R0.250 CCCCOCCCOCCCCC(=O)OCC 7a_200011215613_100000750268 [0,2,0,0,0,0|1,0,0]=3 10015 B17R0.250 CCCCOCCCOCCOCC(=O)OCC 34a_200011215613_100000088970 [0,2,0,0,0,0|2,0,0]=4 10016 B17R0.250 CCCCOCCCOCCOCC(=O)OCC 7a_200011215613_100000088970 [0,2,0,0,0,0|2,0,0]=4 10017 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 34a_100000210238_100000755133 [0,2,0,0,0,0|1,0,0]=3 10018 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100000210238_100000755133 [0,2,0,0,0,0|1,0,0]=3 10019 B17R0.250 CCCCOCCOCCCCCC(=O)OCC 7a_100011214988_100000743108 [0,2,0,0,0,0|1,0,0]=3 10020 B17R0.250 CCCCOCCOCCCOCC(=O)OCC 34a_100000210238_100009893628 [0,2,0,0,0,0|2,0,0]=4 10021 B17R0.250 CCCCOCCOCCCOCC(=O)OCC 7a_100000210238_100009893628 [0,2,0,0,0,0|2,0,0]=4 10022 B17R0.250 CCCCOCCOCCOCCC(=O)NCC 7a_100011215186_100000737597 [0,2,0,0,0,0|1,0,0]=3 10023 B17R0.250 CCCCOCCOCCOCCC(=O)OCC 34a_100010737887_100000210210 [0,2,0,0,0,0|2,0,0]=4 10024 B17R0.250 CCCCOCCOCCOCCC(=O)OCC 34a_100011215186_100000765890 [0,2,0,0,0,0|2,0,0]=4 10025 B17R0.250 CCCCOCCOCCOCCC(=O)OCC 7a_100010737887_100000210211 [0,2,0,0,0,0|2,0,0]=4 10026 B17R0.250 CCCCOCCOCCOCCC(=O)OCC 7a_100011215186_100011206558 [0,2,0,0,0,0|2,0,0]=4 10027 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000743108_100000755133 [0,2,0,0,0,0|1,0,0]=3 10028 B17R0.250 CCCCOCCSCCCCCC(=O)OCC 62a_100000755133_100000743108 [0,2,0,0,0,0|1,0,0]=3 10029 B17R0.250 CCCCOCCSCCCOCC(=O)OCC 62a_100000743108_100009893628 [0,2,0,0,0,0|2,0,0]=4 10030 B17R0.250 CCCCOCCSCCCOCC(=O)OCC 62a_100009893628_100000743108 [0,2,0,0,0,0|2,0,0]=4 10031 B17R0.250 CCCCOCSCCCCCCC(=O)OCC 62a_100011995733_100009814379 [0,2,0,0,0,0|1,0,0]=3 10032 B17R0.250 CCCCSCCCCCCCCC(=O)OCC 62a_100000210211_100010175975 [0,2,0,0,0,0|1,0,0]=3 10033 B17R0.250 CCCCSCCNCCCCCC(=O)OCC 2230a_100025743550_100000755133 [0,2,0,0,0,0|1,0,0]=3 10034 B17R0.250 CCCCSCCNCCCOCC(=O)OCC 2230a_100025743550_100009893628 [0,2,0,0,0,0|2,0,0]=4 10035 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 34a_200000230436_100000755133 [0,2,0,0,0,0|1,0,0]=3 10036 B17R0.250 CCCCSCCOCCCCCC(=O)OCC 7a_200000230436_100000755133 [0,2,0,0,0,0|1,0,0]=3 10037 B17R0.250 CCCCSCCOCCCOCC(=O)OCC 34a_200000230436_100009893628 [0,2,0,0,0,0|2,0,0]=4 10038 B17R0.250 CCCCSCCOCCCOCC(=O)OCC 7a_200000230436_100009893628 [0,2,0,0,0,0|2,0,0]=4 10039 B17R0.250 CCCNN=CCCCCCCCC(=O)OCC 4a_100000740057_100102623289 [0,2,0,0,0,0|1,0,1]=4 10040 B17R0.250 CCCOCCCCCCCCCC(=O)OCC 34a_100000210258_100009828014 [0,2,0,0,0,0|1,0,0]=3 10041 B17R0.250 CCCOCCCNCCCCCC(=O)OCC 2230a_100011217757_100000755133 [0,2,0,0,0,0|1,0,0]=3 10042 B17R0.250 CCCOCCCNCCCCCC(=O)OCC 34a_100011217757_100000755133 [0,2,0,0,0,0|1,0,0]=3 10043 B17R0.250 CCCOCCCNCCCOCC(=O)OCC 2230a_100011217757_100009893628 [0,2,0,0,0,0|2,0,0]=4 10044 B17R0.250 CCCOCCCNCCCOCC(=O)OCC 34a_100011217757_100009893628 [0,2,0,0,0,0|2,0,0]=4 10045 B17R0.250 CCCOCCNCCCCCCC(=O)OCC 2230a_100161115042_100009814379 [0,2,0,0,0,0|1,0,0]=3 10046 B17R0.250 CCCOCCNCCCCCCC(=O)OCC 34a_100161115042_100009814379 [0,2,0,0,0,0|1,0,0]=3 10047 B17R0.250 CCCOCCOCCCCCCC(=O)OCC 34a_100000752267_100009814379 [0,2,0,0,0,0|1,0,0]=3 10048 B17R0.250 CCCOCCOCCCCCCC(=O)OCC 7a_100000752267_100009814379 [0,2,0,0,0,0|1,0,0]=3 10049 B17R0.250 CCCOCCOCCNCCCC(=O)OCC 2230a_200011904461_100009991533 [0,2,0,0,0,0|2,0,0]=4 10050 B17R0.250 CCCOCCOCCNCCCC(=O)OCC 34a_200011904461_100009991533 [0,2,0,0,0,0|2,0,0]=4 10051 B17R0.250 CCCOCCSCCCCCCC(=O)OCC 62a_100011215938_100009814379 [0,2,0,0,0,0|1,0,0]=3 10052 B17R0.250 CCCSCCCCCCCCCC(=O)OCC 62a_100000210303_100009828014 [0,2,0,0,0,0|1,0,0]=3 10053 B17R0.250 CCCSCCNCCCCCCC(=O)OCC 2230a_100020603323_100009814379 [0,2,0,0,0,0|1,0,0]=3 10054 B17R0.250 CCCSCCOCCCCCCC(=O)OCC 34a_200000230433_100009814379 [0,2,0,0,0,0|1,0,0]=3 10055 B17R0.250 CCCSCCOCCCCCCC(=O)OCC 7a_200000230433_100009814379 [0,2,0,0,0,0|1,0,0]=3 10056 B17R0.250 CCNC(=O)CCCCCCCCCCCCO 240690a_100015525214_100102582631 [0,2,0,0,0,0|0,0,0]=2 10057 B17R0.250 CCNC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000737597 [0,2,0,0,0,0|0,0,0]=2 10058 B17R0.250 CCNC(=O)CCNCCCCCCCCCO 34a_100025743525_100009813782 [0,2,0,0,0,0|0,0,0]=2 10059 B17R0.250 CCNC(=O)CCNCCCOCCOCCO 2230a_100011996194_100000737597 [0,2,0,0,0,0|2,0,0]=4 10060 B17R0.250 CCNC(=O)CCNCCOCCOCCOC 2230a_100012028300_100000737597 [0,2,0,0,0,0|2,0,0]=4 10061 B17R0.250 CCNC(=O)CCNCCOCCOCCOC 34a_100025743525_100013367474 [0,2,0,0,0,0|2,0,0]=4 10062 B17R0.250 CCNC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000737597 [0,2,0,0,0,0|0,0,0]=2 10063 B17R0.250 CCNC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000737597 [0,2,0,0,0,0|0,0,0]=2 10064 B17R0.250 CCNC(=O)CCOCCOCCOCCOC 11a_100015525214_100012359594 [0,2,0,0,0,0|2,0,0]=4 10065 B17R0.250 CCNC(=O)CCOCCOCCOCCOC 240690a_100015525214_100012359594 [0,2,0,0,0,0|2,0,0]=4 10066 B17R0.250 CCNC(=O)CCOCCOCCOCCOC 527a_100015525214_100012359594 [0,2,0,0,0,0|2,0,0]=4 10067 B17R0.250 CCNC(=O)CCOCCOCCOCCOC 7a_100000688194_100000737597 [0,2,0,0,0,0|2,0,0]=4 10068 B17R0.250 CCNC(=O)CCSCCCCCCCCCO 62a_100000737597_100009813782 [0,2,0,0,0,0|0,0,0]=2 10069 B17R0.250 CCNC(=O)CCSCCCCCCCCCO 62a_100009813782_100000737597 [0,2,0,0,0,0|0,0,0]=2 10070 B17R0.250 CCNC(=O)CCSCCOCCOCCOC 62a_100000737597_100013367474 [0,2,0,0,0,0|2,0,0]=4 10071 B17R0.250 CCNC(=O)CCSCCOCCOCCOC 62a_100013367474_100000737597 [0,2,0,0,0,0|2,0,0]=4 10072 B17R0.250 CCNC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000183381 [0,2,0,0,0,0|0,0,0]=2 10073 B17R0.250 CCNC(=O)CNCCCCCCCCCCO 2230a_100016988866_100009813290 [0,2,0,0,0,0|0,0,0]=2 10074 B17R0.250 CCNC(=O)CNCCCCCCCCCCO 34a_100000066964_100000183381 [0,2,0,0,0,0|0,0,0]=2 10075 B17R0.250 CCNC(=O)CNCCOCCOCCOCC 2230a_100012282185_100000183381 [0,2,0,0,0,0|2,0,0]=4 10076 B17R0.250 CCNC(=O)CNCCOCCOCCOCC 34a_100012282185_100000183381 [0,2,0,0,0,0|2,0,0]=4 10077 B17R0.250 CCNC(=O)COCCCCCCCCCCBr 34a_100009813290_100000183381 [0,2,0,0,0,0|0,0,0]=2 10078 B17R0.250 CCNC(=O)COCCCCCCCCCCBr 7a_100009813290_100000183381 [0,2,0,0,0,0|0,0,0]=2 10079 B17R0.250 CCNC(=O)COCCCCCCCCCCCl 34a_200000033068_100000183381 [0,2,0,0,0,0|0,0,0]=2 10080 B17R0.250 CCNC(=O)COCCCCCCCCCCCl 7a_200000033068_100000183381 [0,2,0,0,0,0|0,0,0]=2 10081 B17R0.250 CCNC(=O)COCCCCCCCCCCN 34a_100000066964_100000183381 [0,2,0,0,0,0|0,0,0]=2 10082 B17R0.250 CCNC(=O)COCCOCCOCCOCC 34a_100000033264_100000183381 [0,2,0,0,0,0|2,0,0]=4 10083 B17R0.250 CCNC(=O)COCCOCCOCCOCC 7a_100000033264_100000183381 [0,2,0,0,0,0|2,0,0]=4 10084 B17R0.250 CCNC(=O)CSCCCCCCCCCCO 62a_100000183381_200000033068 [0,2,0,0,0,0|0,0,0]=2 10085 B17R0.250 CCNC(=O)CSCCCCCCCCCCO 62a_100009813290_100000183381 [0,2,0,0,0,0|0,0,0]=2 10086 B17R0.250 CCNCCCCCCCCCCC(=O)OCC 2230a_100015525214_100009827693 [0,2,0,0,0,0|1,0,0]=3 10087 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 2230a_106832991635_100103168309 [0,2,0,0,0,0|1,0,0]=3 10088 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 34a_100102657272_100103168309 [0,2,0,0,0,0|1,0,0]=3 10089 B17R0.250 CCOC(=O)CCCCCCCCCCCNC 7a_106832991635_100103168309 [0,2,0,0,0,0|1,0,0]=3 10090 B17R0.250 CCOC(=O)CCCCCCCCCCCOC 34a_100138415774_100103168309 [0,2,0,0,0,0|1,0,0]=3 10091 B17R0.250 CCOC(=O)CCCCCCCCCCCSC 62a_200000210301_100103168309 [0,2,0,0,0,0|1,0,0]=3 10092 B17R0.250 CCOC(=O)CCCCCCCCCCCS[13CH3] 62a_200025704644_100103168309 [0,2,0,0,0,0|1,0,0]=3 10093 B17R0.250 CCOC(=O)CCCCCCCCCCSCC 62a_100000210202_100009827693 [0,2,0,0,0,0|1,0,0]=3 10094 B17R0.250 CCOC(=O)CCCCCCCCCCSCF 62a_100015361967_100009827693 [0,2,0,0,0,0|1,0,0]=3 10095 B17R0.250 CCOC(=O)CCCCCCCCCNCCF 34a_100000724931_100009828014 [0,2,0,0,0,0|1,0,0]=3 10096 B17R0.250 CCOC(=O)CCCCCCCCCNCCO 2230a_100016997473_100009828014 [0,2,0,0,0,0|1,0,0]=3 10097 B17R0.250 CCOC(=O)CCCCCCCCCNCCO 34a_100016990907_100009828014 [0,2,0,0,0,0|1,0,0]=3 10098 B17R0.250 CCOC(=O)CCCCCCCCCOCCBr 34a_100000211926_100009828014 [0,2,0,0,0,0|1,0,0]=3 10099 B17R0.250 CCOC(=O)CCCCCCCCCOCCN 34a_100000210304_100009828014 [0,2,0,0,0,0|1,0,0]=3 10100 B17R0.250 CCOC(=O)CCCCCCCCCSCC#N 62a_100011215382_100009828014 [0,2,0,0,0,0|1,0,1]=4 10101 B17R0.250 CCOC(=O)CCCCCCCCCSCC=O 62a_200015260668_100009828014 [0,2,0,0,0,0|1,0,1]=4 10102 B17R0.250 CCOC(=O)CCCCCCCCCSCCF 62a_100011217306_100009828014 [0,2,0,0,0,0|1,0,0]=3 10103 B17R0.250 CCOC(=O)CCCCCCCCCSCCO 62a_100000211926_100009828014 [0,2,0,0,0,0|1,0,0]=3 10104 B17R0.250 CCOC(=O)CCCCCCCCCSCOC 62a_100000766300_100009828014 [0,2,0,0,0,0|1,0,0]=3 10105 B17R0.250 CCOC(=O)CCCCCCCCCSCSC 62a_100011218213_100009828014 [0,2,0,0,0,0|1,0,0]=3 10106 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 2230a_100015189416_100010175975 [0,2,0,0,0,0|1,0,0]=3 10107 B17R0.250 CCOC(=O)CCCCCCCCNCCCF 34a_100015189416_100010175975 [0,2,0,0,0,0|1,0,0]=3 10108 B17R0.250 CCOC(=O)CCCCCCCCNCCOC 2230a_100000209980_100010175975 [0,2,0,0,0,0|1,0,0]=3 10109 B17R0.250 CCOC(=O)CCCCCCCCNCCSC 2230a_100020590264_100010175975 [0,2,0,0,0,0|1,0,0]=3 10110 B17R0.250 CCOC(=O)CCCCCCCCOCCCBr 34a_100011217188_100010175975 [0,2,0,0,0,0|1,0,0]=3 10111 B17R0.250 CCOC(=O)CCCCCCCCOCCCCl 34a_100000230001_100010175975 [0,2,0,0,0,0|1,0,0]=3 10112 B17R0.250 CCOC(=O)CCCCCCCCOCCCF 34a_100000759539_100010175975 [0,2,0,0,0,0|1,0,0]=3 10113 B17R0.250 CCOC(=O)CCCCCCCCOCCCN 34a_100000182051_100010175975 [0,2,0,0,0,0|1,0,0]=3 10114 B17R0.250 CCOC(=O)CCCCCCCCOCCOC 34a_100000210237_100010175975 [0,2,0,0,0,0|1,0,0]=3 10115 B17R0.250 CCOC(=O)CCCCCCCCOCCON 34a_100000700252_100010175975 [0,2,0,0,0,0|2,0,0]=4 10116 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 34a_100000230434_100010175975 [0,2,0,0,0,0|1,0,0]=3 10117 B17R0.250 CCOC(=O)CCCCCCCCOCCSC 7a_100000230434_100010175975 [0,2,0,0,0,0|1,0,0]=3 10118 B17R0.250 CCOC(=O)CCCCCCCCSCCC#N 62a_100011215226_100010175975 [0,2,0,0,0,0|1,0,1]=4 10119 B17R0.250 CCOC(=O)CCCCCCCCSCCCF 62a_100011934791_100010175975 [0,2,0,0,0,0|1,0,0]=3 10120 B17R0.250 CCOC(=O)CCCCCCCCSCCCO 62a_100011215043_100010175975 [0,2,0,0,0,0|1,0,0]=3 10121 B17R0.250 CCOC(=O)CCCCCCCCSCCOC 62a_100000233755_100010175975 [0,2,0,0,0,0|1,0,0]=3 10122 B17R0.250 CCOC(=O)CCCCCCCCSCCSC 62a_100000212216_100010175975 [0,2,0,0,0,0|1,0,0]=3 10123 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 2230a_100000750430_100009991516 [0,2,0,0,0,0|1,0,0]=3 10124 B17R0.250 CCOC(=O)CCCCCCCNCCCCO 34a_100000750430_100009991516 [0,2,0,0,0,0|1,0,0]=3 10125 B17R0.250 CCOC(=O)CCCCCCCNCCCOC 34a_100150723488_100009991516 [0,2,0,0,0,0|1,0,0]=3 10126 B17R0.250 CCOC(=O)CCCCCCCNCCCSC 2230a_100000749238_100009991516 [0,2,0,0,0,0|1,0,0]=3 10127 B17R0.250 CCOC(=O)CCCCCCCNCCSCC 2230a_100000106463_100009991516 [0,2,0,0,0,0|1,0,0]=3 10128 B17R0.250 CCOC(=O)CCCCCCCOCCCCBr 34a_100011216708_100009991516 [0,2,0,0,0,0|1,0,0]=3 10129 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 34a_100000210776_100009991516 [0,2,0,0,0,0|1,0,0]=3 10130 B17R0.250 CCOC(=O)CCCCCCCOCCCCCl 7a_100000210776_100009991516 [0,2,0,0,0,0|1,0,0]=3 10131 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 34a_100011995726_100009991516 [0,2,0,0,0,0|1,0,0]=3 10132 B17R0.250 CCOC(=O)CCCCCCCOCCCCF 7a_100011995726_100009991516 [0,2,0,0,0,0|1,0,0]=3 10133 B17R0.250 CCOC(=O)CCCCCCCOCCCCI 34a_200012148704_100009991516 [0,2,0,0,0,0|1,0,0]=3 10134 B17R0.250 CCOC(=O)CCCCCCCOCCCCN 34a_100000750430_100009991516 [0,2,0,0,0,0|1,0,0]=3 10135 B17R0.250 CCOC(=O)CCCCCCCOCCCNC 34a_100000213112_100009991516 [0,2,0,0,0,0|1,0,0]=3 10136 B17R0.250 CCOC(=O)CCCCCCCOCCCOC 34a_100000740835_100009991516 [0,2,0,0,0,0|1,0,0]=3 10137 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 34a_100000690336_100009991516 [0,2,0,0,0,0|1,0,0]=3 10138 B17R0.250 CCOC(=O)CCCCCCCOCCCSC 7a_100000690336_100009991516 [0,2,0,0,0,0|1,0,0]=3 10139 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 34a_100000212035_100009991516 [0,2,0,0,0,0|1,0,0]=3 10140 B17R0.250 CCOC(=O)CCCCCCCOCCSCC 7a_100000212035_100009991516 [0,2,0,0,0,0|1,0,0]=3 10141 B17R0.250 CCOC(=O)CCCCCCCSCCCC#N 62a_100000687738_100009991516 [0,2,0,0,0,0|1,0,1]=4 10142 B17R0.250 CCOC(=O)CCCCCCCSCCCC=O 62a_200011292268_100009991516 [0,2,0,0,0,0|1,0,1]=4 10143 B17R0.250 CCOC(=O)CCCCCCCSCCCCF 62a_100000729493_100009991516 [0,2,0,0,0,0|1,0,0]=3 10144 B17R0.250 CCOC(=O)CCCCCCCSCCCCO 62a_100000210776_100009991516 [0,2,0,0,0,0|1,0,0]=3 10145 B17R0.250 CCOC(=O)CCCCCCCSCCCOC 62a_100000709357_100009991516 [0,2,0,0,0,0|1,0,0]=3 10146 B17R0.250 CCOC(=O)CCCCCCCSCCSCC 62a_100000757381_100009991516 [0,2,0,0,0,0|1,0,0]=3 10147 B17R0.250 CCOC(=O)CCCCCCNCCCCCO 2230a_100000762737_100009814379 [0,2,0,0,0,0|1,0,0]=3 10148 B17R0.250 CCOC(=O)CCCCCCNCCCCCO 34a_100000762737_100009814379 [0,2,0,0,0,0|1,0,0]=3 10149 B17R0.250 CCOC(=O)CCCCCCNCCOCCO 2230a_100000211614_100009814379 [0,2,0,0,0,0|2,0,0]=4 10150 B17R0.250 CCOC(=O)CCCCCCNCCOCCO 34a_100000211614_100009814379 [0,2,0,0,0,0|2,0,0]=4 10151 B17R0.250 CCOC(=O)CCCCCCNCCSCCO 2230a_100011219999_100009814379 [0,2,0,0,0,0|2,0,0]=4 10152 B17R0.250 CCOC(=O)CCCCCCOCCCCCBr 34a_100000746331_100009814379 [0,2,0,0,0,0|1,0,0]=3 10153 B17R0.250 CCOC(=O)CCCCCCOCCCCCBr 7a_100000746331_100009814379 [0,2,0,0,0,0|1,0,0]=3 10154 B17R0.250 CCOC(=O)CCCCCCOCCCCCCl 34a_100000746330_100009814379 [0,2,0,0,0,0|1,0,0]=3 10155 B17R0.250 CCOC(=O)CCCCCCOCCCCCCl 7a_100000746330_100009814379 [0,2,0,0,0,0|1,0,0]=3 10156 B17R0.250 CCOC(=O)CCCCCCOCCCCCI 34a_200012148887_100009814379 [0,2,0,0,0,0|1,0,0]=3 10157 B17R0.250 CCOC(=O)CCCCCCOCCCCCI 7a_200012148887_100009814379 [0,2,0,0,0,0|1,0,0]=3 10158 B17R0.250 CCOC(=O)CCCCCCOCCCCCN 34a_100000762737_100009814379 [0,2,0,0,0,0|1,0,0]=3 10159 B17R0.250 CCOC(=O)CCCCCCOCCCCOC 34a_100000740925_100009814379 [0,2,0,0,0,0|1,0,0]=3 10160 B17R0.250 CCOC(=O)CCCCCCOCCCCSC 34a_100011217163_100009814379 [0,2,0,0,0,0|1,0,0]=3 10161 B17R0.250 CCOC(=O)CCCCCCOCCCCSC 7a_100011217163_100009814379 [0,2,0,0,0,0|1,0,0]=3 10162 B17R0.250 CCOC(=O)CCCCCCOCCCSCC 34a_100011216438_100009814379 [0,2,0,0,0,0|1,0,0]=3 10163 B17R0.250 CCOC(=O)CCCCCCOCCCSCC 7a_100011216438_100009814379 [0,2,0,0,0,0|1,0,0]=3 10164 B17R0.250 CCOC(=O)CCCCCCOCCOCCBr 34a_100000692535_100009814379 [0,2,0,0,0,0|2,0,0]=4 10165 B17R0.250 CCOC(=O)CCCCCCOCCOCCBr 7a_100000692535_100009814379 [0,2,0,0,0,0|2,0,0]=4 10166 B17R0.250 CCOC(=O)CCCCCCOCCOCCCl 34a_100011215305_100009814379 [0,2,0,0,0,0|2,0,0]=4 10167 B17R0.250 CCOC(=O)CCCCCCOCCOCCCl 7a_100011215305_100009814379 [0,2,0,0,0,0|2,0,0]=4 10168 B17R0.250 CCOC(=O)CCCCCCOCCOCCF 34a_200015357709_100009814379 [0,2,0,0,0,0|2,0,0]=4 10169 B17R0.250 CCOC(=O)CCCCCCOCCOCCF 7a_200015357709_100009814379 [0,2,0,0,0,0|2,0,0]=4 10170 B17R0.250 CCOC(=O)CCCCCCOCCOCCI 34a_100012149058_100009814379 [0,2,0,0,0,0|2,0,0]=4 10171 B17R0.250 CCOC(=O)CCCCCCOCCOCCI 7a_100012149058_100009814379 [0,2,0,0,0,0|2,0,0]=4 10172 B17R0.250 CCOC(=O)CCCCCCOCCOCCN 34a_100000211614_100009814379 [0,2,0,0,0,0|2,0,0]=4 10173 B17R0.250 CCOC(=O)CCCCCCSCCCCC#N 62a_100011219923_100009814379 [0,2,0,0,0,0|1,0,1]=4 10174 B17R0.250 CCOC(=O)CCCCCCSCCCCC=O 62a_100000139335_100009814379 [0,2,0,0,0,0|1,0,1]=4 10175 B17R0.250 CCOC(=O)CCCCCCSCCCCCF 62a_100000729378_100009814379 [0,2,0,0,0,0|1,0,0]=3 10176 B17R0.250 CCOC(=O)CCCCCCSCCCCCO 62a_100000746330_100009814379 [0,2,0,0,0,0|1,0,0]=3 10177 B17R0.250 CCOC(=O)CCCCCCSCCCCOC 62a_100000730899_100009814379 [0,2,0,0,0,0|1,0,0]=3 10178 B17R0.250 CCOC(=O)CCCCCCSCCOCCO 62a_100011215305_100009814379 [0,2,0,0,0,0|2,0,0]=4 10179 B17R0.250 CCOC(=O)CCCCCCSCOCCOC 62a_100000231047_100009814379 [0,2,0,0,0,0|2,0,0]=4 10180 B17R0.250 CCOC(=O)CCCCCNCCCCCCO 2230a_100000686447_100000755133 [0,2,0,0,0,0|1,0,0]=3 10181 B17R0.250 CCOC(=O)CCCCCNCCCCCCO 34a_100000686447_100000755133 [0,2,0,0,0,0|1,0,0]=3 10182 B17R0.250 CCOC(=O)CCCCCNCCCCCOC 2230a_100000747528_100000755133 [0,2,0,0,0,0|1,0,0]=3 10183 B17R0.250 CCOC(=O)CCCCCNCCCCCOC 34a_100000747528_100000755133 [0,2,0,0,0,0|1,0,0]=3 10184 B17R0.250 CCOC(=O)CCCCCNCCOCCOC 2230a_100000745349_100000755133 [0,2,0,0,0,0|2,0,0]=4 10185 B17R0.250 CCOC(=O)CCCCCNCCOCCOC 34a_100000745349_100000755133 [0,2,0,0,0,0|2,0,0]=4 10186 B17R0.250 CCOC(=O)CCCCCOCCCCCC#N 7a_100011214988_100009813376 [0,2,0,0,0,0|1,0,1]=4 10187 B17R0.250 CCOC(=O)CCCCCOCCCCCC=O 7a_100011214988_100000139337 [0,2,0,0,0,0|1,0,1]=4 10188 B17R0.250 CCOC(=O)CCCCCOCCCCCCBr 34a_100011215345_100000755133 [0,2,0,0,0,0|1,0,0]=3 10189 B17R0.250 CCOC(=O)CCCCCOCCCCCCBr 7a_100011215345_100000755133 [0,2,0,0,0,0|1,0,0]=3 10190 B17R0.250 CCOC(=O)CCCCCOCCCCCCCl 34a_100000766143_100000755133 [0,2,0,0,0,0|1,0,0]=3 10191 B17R0.250 CCOC(=O)CCCCCOCCCCCCCl 7a_100000766143_100000755133 [0,2,0,0,0,0|1,0,0]=3 10192 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 34a_100000732779_100000755133 [0,2,0,0,0,0|1,0,0]=3 10193 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 7a_100000732779_100000755133 [0,2,0,0,0,0|1,0,0]=3 10194 B17R0.250 CCOC(=O)CCCCCOCCCCCCF 7a_100011214988_100015922095 [0,2,0,0,0,0|1,0,0]=3 10195 B17R0.250 CCOC(=O)CCCCCOCCCCCCN 34a_100000686447_100000755133 [0,2,0,0,0,0|1,0,0]=3 10196 B17R0.250 CCOC(=O)CCCCCOCCCCCCO 7a_100011214988_100000766143 [0,2,0,0,0,0|1,0,0]=3 10197 B17R0.250 CCOC(=O)CCCCCOCCCCCNC 34a_100000722520_100000755133 [0,2,0,0,0,0|1,0,0]=3 10198 B17R0.250 CCOC(=O)CCCCCOCCOCCNC 34a_100000228057_100000755133 [0,2,0,0,0,0|2,0,0]=4 10199 B17R0.250 CCOC(=O)CCCCCOCCOCCOC 34a_100011215163_100000755133 [0,2,0,0,0,0|2,0,0]=4 10200 B17R0.250 CCOC(=O)CCCCCOCCOCCOC 7a_100011214988_100000695917 [0,2,0,0,0,0|2,0,0]=4 10201 B17R0.250 CCOC(=O)CCCCCOCCOCCOC 7a_100011215163_100000755133 [0,2,0,0,0,0|2,0,0]=4 10202 B17R0.250 CCOC(=O)CCCCCSCCCCCC#N 62a_100000755133_100009813376 [0,2,0,0,0,0|1,0,1]=4 10203 B17R0.250 CCOC(=O)CCCCCSCCCCCC#N 62a_100009813376_100000755133 [0,2,0,0,0,0|1,0,1]=4 10204 B17R0.250 CCOC(=O)CCCCCSCCCCCC=O 62a_100000139337_100000755133 [0,2,0,0,0,0|1,0,1]=4 10205 B17R0.250 CCOC(=O)CCCCCSCCCCCC=O 62a_100000755133_100000139337 [0,2,0,0,0,0|1,0,1]=4 10206 B17R0.250 CCOC(=O)CCCCCSCCCCCCF 62a_100000755133_100015922095 [0,2,0,0,0,0|1,0,0]=3 10207 B17R0.250 CCOC(=O)CCCCCSCCCCCCF 62a_100015922095_100000755133 [0,2,0,0,0,0|1,0,0]=3 10208 B17R0.250 CCOC(=O)CCCCCSCCCCCCO 62a_100000755133_100000766143 [0,2,0,0,0,0|1,0,0]=3 10209 B17R0.250 CCOC(=O)CCCCCSCCCCCCO 62a_100000766143_100000755133 [0,2,0,0,0,0|1,0,0]=3 10210 B17R0.250 CCOC(=O)CCCCCSCCOCCOC 62a_100000695917_100000755133 [0,2,0,0,0,0|2,0,0]=4 10211 B17R0.250 CCOC(=O)CCCCCSCCOCCOC 62a_100000755133_100000695917 [0,2,0,0,0,0|2,0,0]=4 10212 B17R0.250 CCOC(=O)CCCCNCCCCCCCO 2230a_100011996573_100000750268 [0,2,0,0,0,0|1,0,0]=3 10213 B17R0.250 CCOC(=O)CCCCNCCCCCCCO 34a_100011996573_100000750268 [0,2,0,0,0,0|1,0,0]=3 10214 B17R0.250 CCOC(=O)CCCCNCCCOCCCO 2230a_100011310245_100000750268 [0,2,0,0,0,0|2,0,0]=4 10215 B17R0.250 CCOC(=O)CCCCNCCCOCCCO 34a_100011310245_100000750268 [0,2,0,0,0,0|2,0,0]=4 10216 B17R0.250 CCOC(=O)CCCCNCCCOCCOC 2230a_100000206027_100000750268 [0,2,0,0,0,0|2,0,0]=4 10217 B17R0.250 CCOC(=O)CCCCNCCCOCCOC 34a_100000206027_100000750268 [0,2,0,0,0,0|2,0,0]=4 10218 B17R0.250 CCOC(=O)CCCCOCCCCCCCBr 34a_100000760002_100000750268 [0,2,0,0,0,0|1,0,0]=3 10219 B17R0.250 CCOC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000750268 [0,2,0,0,0,0|1,0,0]=3 10220 B17R0.250 CCOC(=O)CCCCOCCCCCCCN 34a_100011996573_100000750268 [0,2,0,0,0,0|1,0,0]=3 10221 B17R0.250 CCOC(=O)CCCCOCCCCCCOC 34a_200012092642_100000750268 [0,2,0,0,0,0|1,0,0]=3 10222 B17R0.250 CCOC(=O)CCCCOCCCCCCOC 7a_200012092642_100000750268 [0,2,0,0,0,0|1,0,0]=3 10223 B17R0.250 CCOC(=O)CCCCOCCCOCCCN 34a_100011310245_100000750268 [0,2,0,0,0,0|2,0,0]=4 10224 B17R0.250 CCOC(=O)CCCCSCCCCCCC#N 62a_100000750268_100009813337 [0,2,0,0,0,0|1,0,1]=4 10225 B17R0.250 CCOC(=O)CCCCSCCCCCCC#N 62a_100009813337_100000750268 [0,2,0,0,0,0|1,0,1]=4 10226 B17R0.250 CCOC(=O)CCCCSCCCCCCCO 62a_100000750268_100000760002 [0,2,0,0,0,0|1,0,0]=3 10227 B17R0.250 CCOC(=O)CCCCSCCCCCCCO 62a_100000760002_100000750268 [0,2,0,0,0,0|1,0,0]=3 10228 B17R0.250 CCOC(=O)CCCCSCCCCCCOC 62a_100000750268_100011998445 [0,2,0,0,0,0|1,0,0]=3 10229 B17R0.250 CCOC(=O)CCCCSCCCCCCOC 62a_100011998445_100000750268 [0,2,0,0,0,0|1,0,0]=3 10230 B17R0.250 CCOC(=O)CCCCSCCCOCCOC 62a_100000750268_100011216529 [0,2,0,0,0,0|2,0,0]=4 10231 B17R0.250 CCOC(=O)CCCCSCCCOCCOC 62a_100011216529_100000750268 [0,2,0,0,0,0|2,0,0]=4 10232 B17R0.250 CCOC(=O)CCCNCCCCCCCCO 2230a_102515433106_100009991533 [0,2,0,0,0,0|1,0,0]=3 10233 B17R0.250 CCOC(=O)CCCNCCCCCCCCO 34a_102515433106_100009991533 [0,2,0,0,0,0|1,0,0]=3 10234 B17R0.250 CCOC(=O)CCCOCCCCCCCCBr 34a_100009813846_100009991533 [0,2,0,0,0,0|1,0,0]=3 10235 B17R0.250 CCOC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215271 [0,2,0,0,0,0|1,0,0]=3 10236 B17R0.250 CCOC(=O)CCCOCCCCCCCCCl 34a_100000033203_100009991533 [0,2,0,0,0,0|1,0,0]=3 10237 B17R0.250 CCOC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215271 [0,2,0,0,0,0|1,0,0]=3 10238 B17R0.250 CCOC(=O)CCCOCCCCCCCCN 34a_102515433106_100009991533 [0,2,0,0,0,0|1,0,0]=3 10239 B17R0.250 CCOC(=O)CCCOCCCCCCCCO 7a_100012001163_100000033203 [0,2,0,0,0,0|1,0,0]=3 10240 B17R0.250 CCOC(=O)CCCOCCCCCNCCN 34a_103619048469_100009991533 [0,2,0,0,0,0|2,0,0]=4 10241 B17R0.250 CCOC(=O)CCCOCCCOCCCOC 34a_200011215475_100009991533 [0,2,0,0,0,0|2,0,0]=4 10242 B17R0.250 CCOC(=O)CCCOCCCOCCCOC 7a_200011215475_100011215271 [0,2,0,0,0,0|2,0,0]=4 10243 B17R0.250 CCOC(=O)CCCSCCCCCCCCO 62a_100000033203_100009991533 [0,2,0,0,0,0|1,0,0]=3 10244 B17R0.250 CCOC(=O)CCCSCCCCCCCCO 62a_100009991533_100000033203 [0,2,0,0,0,0|1,0,0]=3 10245 B17R0.250 CCOC(=O)CCNCCCCCCCCCO 2230a_100000078944_100011206558 [0,2,0,0,0,0|1,0,0]=3 10246 B17R0.250 CCOC(=O)CCNCCCCCCCCCO 34a_100000078944_100000765890 [0,2,0,0,0,0|1,0,0]=3 10247 B17R0.250 CCOC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000765890 [0,2,0,0,0,0|1,0,0]=3 10248 B17R0.250 CCOC(=O)CCOCCCCCCCCCBr 7a_100009813782_100011206558 [0,2,0,0,0,0|1,0,0]=3 10249 B17R0.250 CCOC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000765890 [0,2,0,0,0,0|1,0,0]=3 10250 B17R0.250 CCOC(=O)CCOCCCCCCCCCCl 7a_100009868337_100011206558 [0,2,0,0,0,0|1,0,0]=3 10251 B17R0.250 CCOC(=O)CCOCCCCCCCCCN 34a_100000078944_100000765890 [0,2,0,0,0,0|1,0,0]=3 10252 B17R0.250 CCOC(=O)CCSCCCCCCCCCO 62a_100000765890_100009813782 [0,2,0,0,0,0|1,0,0]=3 10253 B17R0.250 CCOC(=O)CCSCCCCCCCCCO 62a_100009813782_100000765890 [0,2,0,0,0,0|1,0,0]=3 10254 B17R0.250 CCOC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000188475 [0,2,0,0,0,0|1,0,0]=3 10255 B17R0.250 CCOC(=O)CNCCCCCCCCCCO 34a_100000066964_100000188475 [0,2,0,0,0,0|1,0,0]=3 10256 B17R0.250 CCOC(=O)COCCCCCCCCCCBr 34a_100009813290_100000188475 [0,2,0,0,0,0|1,0,0]=3 10257 B17R0.250 CCOC(=O)COCCCCCCCCCCBr 7a_100009813290_100000188475 [0,2,0,0,0,0|1,0,0]=3 10258 B17R0.250 CCOC(=O)COCCCCCCCCCCCl 34a_200000033068_100000188475 [0,2,0,0,0,0|1,0,0]=3 10259 B17R0.250 CCOC(=O)COCCCCCCCCCCCl 7a_200000033068_100000188475 [0,2,0,0,0,0|1,0,0]=3 10260 B17R0.250 CCOC(=O)COCCCCCCCCCCN 34a_100000066964_100000188475 [0,2,0,0,0,0|1,0,0]=3 10261 B17R0.250 CCOC(=O)COCCCNCCCCCCO 2230a_100000686447_100009893628 [0,2,0,0,0,0|2,0,0]=4 10262 B17R0.250 CCOC(=O)COCCCNCCCCCCO 34a_100000686447_100009893628 [0,2,0,0,0,0|2,0,0]=4 10263 B17R0.250 CCOC(=O)COCCCNCCCCCOC 2230a_100000747528_100009893628 [0,2,0,0,0,0|2,0,0]=4 10264 B17R0.250 CCOC(=O)COCCCNCCCCCOC 34a_100000747528_100009893628 [0,2,0,0,0,0|2,0,0]=4 10265 B17R0.250 CCOC(=O)COCCCOCCCCCCBr 34a_100011215345_100009893628 [0,2,0,0,0,0|2,0,0]=4 10266 B17R0.250 CCOC(=O)COCCCOCCCCCCBr 7a_100011215345_100009893628 [0,2,0,0,0,0|2,0,0]=4 10267 B17R0.250 CCOC(=O)COCCCOCCCCCCCl 34a_100000766143_100009893628 [0,2,0,0,0,0|2,0,0]=4 10268 B17R0.250 CCOC(=O)COCCCOCCCCCCCl 7a_100000766143_100009893628 [0,2,0,0,0,0|2,0,0]=4 10269 B17R0.250 CCOC(=O)COCCCOCCCCCCF 34a_100000732779_100009893628 [0,2,0,0,0,0|2,0,0]=4 10270 B17R0.250 CCOC(=O)COCCCOCCCCCCF 7a_100000732779_100009893628 [0,2,0,0,0,0|2,0,0]=4 10271 B17R0.250 CCOC(=O)COCCCOCCCCCCN 34a_100000686447_100009893628 [0,2,0,0,0,0|2,0,0]=4 10272 B17R0.250 CCOC(=O)COCCCOCCCCCNC 34a_100000722520_100009893628 [0,2,0,0,0,0|2,0,0]=4 10273 B17R0.250 CCOC(=O)COCCCSCCCCCCF 62a_100009893628_100015922095 [0,2,0,0,0,0|2,0,0]=4 10274 B17R0.250 CCOC(=O)COCCCSCCCCCCF 62a_100015922095_100009893628 [0,2,0,0,0,0|2,0,0]=4 10275 B17R0.250 CCOC(=O)COCCCSCCCCCCO 62a_100000766143_100009893628 [0,2,0,0,0,0|2,0,0]=4 10276 B17R0.250 CCOC(=O)COCCCSCCCCCCO 62a_100009893628_100000766143 [0,2,0,0,0,0|2,0,0]=4 10277 B17R0.250 CCOC(=O)COCCNCCCCCCCO 2230a_100011996573_100000088970 [0,2,0,0,0,0|2,0,0]=4 10278 B17R0.250 CCOC(=O)COCCNCCCCCCCO 34a_100011996573_100000088970 [0,2,0,0,0,0|2,0,0]=4 10279 B17R0.250 CCOC(=O)COCCOCCCCCCCBr 34a_100000760002_100000088970 [0,2,0,0,0,0|2,0,0]=4 10280 B17R0.250 CCOC(=O)COCCOCCCCCCCBr 7a_100000760002_100000088970 [0,2,0,0,0,0|2,0,0]=4 10281 B17R0.250 CCOC(=O)COCCOCCCCCCCN 34a_100011996573_100000088970 [0,2,0,0,0,0|2,0,0]=4 10282 B17R0.250 CCOC(=O)COCCOCCCCCCOC 34a_200012092642_100000088970 [0,2,0,0,0,0|2,0,0]=4 10283 B17R0.250 CCOC(=O)COCCOCCCCCCOC 7a_200012092642_100000088970 [0,2,0,0,0,0|2,0,0]=4 10284 B17R0.250 CCOC(=O)COCCSCCCCCCCO 62a_100000088970_100000760002 [0,2,0,0,0,0|2,0,0]=4 10285 B17R0.250 CCOC(=O)COCCSCCCCCCCO 62a_100000760002_100000088970 [0,2,0,0,0,0|2,0,0]=4 10286 B17R0.250 CCOC(=O)COCCSCCCCCCOC 62a_100000088970_100011998445 [0,2,0,0,0,0|2,0,0]=4 10287 B17R0.250 CCOC(=O)COCCSCCCCCCOC 62a_100011998445_100000088970 [0,2,0,0,0,0|2,0,0]=4 10288 B17R0.250 CCOC(=O)CSCCCCCCCCCCO 62a_100000188475_200000033068 [0,2,0,0,0,0|1,0,0]=3 10289 B17R0.250 CCOC(=O)CSCCCCCCCCCCO 62a_100009813290_100000188475 [0,2,0,0,0,0|1,0,0]=3 10290 B17R0.250 CCOC(=O)CSCCOCCCCCCCO 7a_200000230590_100000760002 [0,2,0,0,0,0|2,0,0]=4 10291 B17R0.250 CCOC(=O)CSCCOCCCCCCOC 7a_200000230590_100011998445 [0,2,0,0,0,0|2,0,0]=4 10292 B17R0.250 CCOC(=O)NCCOCCCCCCCCBr 7a_100009813846_200011445536 [0,2,0,0,0,0|2,0,0]=4 10293 B17R0.250 CCOC(=O)NCCOCCCCCCCCCl 7a_100000033203_200011445536 [0,2,0,0,0,0|2,0,0]=4 10294 B17R0.250 CCOC(=O)NCCOCCCCCCCCO 34a_100000158857_100000033203 [0,2,0,0,0,0|2,0,0]=4 10295 B17R0.250 CCOC(=O)NCCSCCCCCCCCO 62a_100000033203_200011445536 [0,2,0,0,0,0|2,0,0]=4 10296 B17R0.250 CCOC(=O)OCSCCCCCCCCCO 62a_100009813782_100000075025 [0,2,0,0,0,0|2,0,0]=4 10297 B17R0.250 CCOCCCCCCCCCCC(=O)OCC 34a_100121572206_100009827693 [0,2,0,0,0,0|1,0,0]=3 10298 B17R0.250 CCOCCCNCCCCCCC(=O)OCC 2230a_100000210961_100009814379 [0,2,0,0,0,0|1,0,0]=3 10299 B17R0.250 CCOCCCNCCCCCCC(=O)OCC 34a_100000210961_100009814379 [0,2,0,0,0,0|1,0,0]=3 10300 B17R0.250 CCOCCCOCCCCCCC(=O)OCC 34a_100000757476_100009814379 [0,2,0,0,0,0|1,0,0]=3 10301 B17R0.250 CCOCCCOCCCCCCC(=O)OCC 7a_100000757476_100009814379 [0,2,0,0,0,0|1,0,0]=3 10302 B17R0.250 CCOCCCSCCCCCCC(=O)OCC 62a_100012232248_100009814379 [0,2,0,0,0,0|1,0,0]=3 10303 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 2230a_102516460346_100009991516 [0,2,0,0,0,0|1,0,0]=3 10304 B17R0.250 CCOCCNCCCCCCCC(=O)OCC 34a_102516460346_100009991516 [0,2,0,0,0,0|1,0,0]=3 10305 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 34a_100000210136_100009991516 [0,2,0,0,0,0|1,0,0]=3 10306 B17R0.250 CCOCCOCCCCCCCC(=O)OCC 7a_100000210136_100009991516 [0,2,0,0,0,0|1,0,0]=3 10307 B17R0.250 CCOCCOCCNCCCCC(=O)OCC 2230a_100102712874_100000750268 [0,2,0,0,0,0|2,0,0]=4 10308 B17R0.250 CCOCCOCCNCCCCC(=O)OCC 34a_100102712874_100000750268 [0,2,0,0,0,0|2,0,0]=4 10309 B17R0.250 CCOCCOCCOCCCCC(=O)OCC 34a_100000210240_100000750268 [0,2,0,0,0,0|2,0,0]=4 10310 B17R0.250 CCOCCOCCOCCCCC(=O)OCC 7a_100000210240_100000750268 [0,2,0,0,0,0|2,0,0]=4 10311 B17R0.250 CCOCCOCCSCCCCC(=O)OCC 62a_100000750268_100011211534 [0,2,0,0,0,0|2,0,0]=4 10312 B17R0.250 CCOCCOCCSCCCCC(=O)OCC 62a_100011211534_100000750268 [0,2,0,0,0,0|2,0,0]=4 10313 B17R0.250 CCOCCSCCCCCCCC(=O)OCC 62a_100000210147_100009991516 [0,2,0,0,0,0|1,0,0]=3 10314 B17R0.250 CCOCSCCCCCCCCC(=O)OCC 62a_100000739092_100010175975 [0,2,0,0,0,0|1,0,0]=3 10315 B17R0.250 CNNC(=O)CCCCCCCCCCCCO 22a_100016993582_100102582631 [0,2,0,0,0,0|1,0,0]=3 10316 B17R0.250 COCC(=O)CCCCCCCCCCCCO 1458a_100000210968_100009813331 [0,2,0,0,0,0|2,0,0]=4 10317 B17R0.250 COCC(=O)CCCCCCOCCCCCO 1458a_100000210968_200132310570 [0,2,0,0,0,0|2,0,0]=4 10318 B17R0.250 CSCC(=O)CCCCCCCCCCCCO 1458a_100000184570_100009813331 [0,2,0,0,0,0|2,0,0]=4 10319 B17R0.250 CSCC(=O)CCCCCCOCCCCCO 1458a_100000184570_200132310570 [0,2,0,0,0,0|2,0,0]=4 10320 B17R0.250 NCCCCCCCCCCOCC(=O)NCO 34a_100000066964_100000185155 [0,2,0,0,0,0|1,0,0]=3 10321 B17R0.250 O=C(CCO)CCCCCCCCCCCCO 1458a_100011216618_100009813331 [0,2,0,0,0,0|2,0,0]=4 10322 B17R0.250 O=C(CCO)CCCCCCOCCCCCO 1458a_100011216618_200132310570 [0,2,0,0,0,0|2,0,0]=4 10323 B17R0.250 O=C(CNCCCCCCCCCCO)NCO 2230a_100000066964_100000185155 [0,2,0,0,0,0|1,0,0]=3 10324 B17R0.250 O=C(CNCCCCCCCCCCO)NCO 34a_100000066964_100000185155 [0,2,0,0,0,0|1,0,0]=3 10325 B17R0.250 O=C(COCCCCCCCCCCBr)NCO 34a_100009813290_100000185155 [0,2,0,0,0,0|1,0,0]=3 10326 B17R0.250 O=C(COCCCCCCCCCCBr)NCO 7a_100009813290_100000185155 [0,2,0,0,0,0|1,0,0]=3 10327 B17R0.250 O=C(COCCCCCCCCCCCl)NCO 34a_200000033068_100000185155 [0,2,0,0,0,0|1,0,0]=3 10328 B17R0.250 O=C(COCCCCCCCCCCCl)NCO 7a_200000033068_100000185155 [0,2,0,0,0,0|1,0,0]=3 10329 B17R0.250 O=C(CSCCCCCCCCCCO)NCO 62a_100000185155_200000033068 [0,2,0,0,0,0|1,0,0]=3 10330 B17R0.250 O=C(CSCCCCCCCCCCO)NCO 62a_100009813290_100000185155 [0,2,0,0,0,0|1,0,0]=3 10331 B17R0.256 C=C(C)CCOCCCCCCCC(=O)OCC 34a_100000764851_100009991516 [0,2,0,0,0,0|1,0,1]=4 10332 B17R0.256 C=C(C)CCSCCCCCCCC(=O)OCC 62a_100000730704_100009991516 [0,2,0,0,0,0|1,0,1]=4 10333 B17R0.256 C=C(C)COCCCCCCCCC(=O)OCC 34a_100000210245_100010175975 [0,2,0,0,0,0|1,0,1]=4 10334 B17R0.256 C=C(C)CSCCCCCCCCC(=O)OCC 62a_100000748629_100010175975 [0,2,0,0,0,0|1,0,1]=4 10335 B17R0.256 CCCC(=O)CCCCCCCCCCC(=O)N 1458a_100000211992_200010167045 [0,2,0,0,0,0|1,0,1]=4 10336 B17R0.256 CCCC(=O)OCOCCCCCCCC(C)C 34a_200000210741_100000034017 [0,2,0,0,0,0|2,0,0]=4 10337 B17R0.256 CCNC(=O)CCNCCCCCCNC(=O)C 2230a_200011996284_100000737597 [0,2,0,0,0,0|1,0,1]=4 10338 B17R0.256 CCNC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100000737597 [0,2,0,0,0,0|0,0,0]=2 10339 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_100000070787_100009827693 [0,2,0,0,0,0|1,0,0]=3 10340 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)C 1458a_200020656980_200000210301 [0,2,0,0,0,0|1,0,0]=3 10341 B17R0.256 CCOC(=O)CCCCCCCCCCC(=O)[13CH3] 1458a_200020656980_200025704644 [0,2,0,0,0,0|1,0,0]=3 10342 B17R0.256 CCOC(=O)CCCCCCCCCCN(C)C 2230a_100102631434_100009827693 [0,2,0,0,0,0|1,0,0]=3 10343 B17R0.256 CCOC(=O)CCCCCCCCCCN(C)C 269982a_100102631434_100009827693 [0,2,0,0,0,0|1,0,0]=3 10344 B17R0.256 CCOC(=O)CCCCCCCCCNC(C)C 2230a_100138425928_100009828014 [0,2,0,0,0,0|1,0,0]=3 10345 B17R0.256 CCOC(=O)CCCCCCCCCNC(C)C 34a_100138425928_100009828014 [0,2,0,0,0,0|1,0,0]=3 10346 B17R0.256 CCOC(=O)CCCCCCCCCOC(C)C 34a_100000212225_100009828014 [0,2,0,0,0,0|1,0,0]=3 10347 B17R0.256 CCOC(=O)CCCCCCCCCSC(C)C 62a_100000210206_100009828014 [0,2,0,0,0,0|1,0,0]=3 10348 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)C 2230a_100000210953_100010175975 [0,2,0,0,0,0|1,0,0]=3 10349 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)C 34a_100000210953_100010175975 [0,2,0,0,0,0|1,0,0]=3 10350 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)O 2230a_100000210904_100010175975 [0,2,0,0,0,0|1,0,0]=3 10351 B17R0.256 CCOC(=O)CCCCCCCCNCC(C)O 34a_100000210904_100010175975 [0,2,0,0,0,0|1,0,0]=3 10352 B17R0.256 CCOC(=O)CCCCCCCCNCC(F)F 34a_100000765723_100010175975 [0,2,0,0,0,0|2,0,0]=4 10353 B17R0.256 CCOC(=O)CCCCCCCCOCC(=O)C 34a_100000211253_100010175975 [0,2,0,0,0,0|1,0,1]=4 10354 B17R0.256 CCOC(=O)CCCCCCCCOCC(C)Br 34a_100012180447_100010175975 [0,2,0,0,0,0|1,0,0]=3 10355 B17R0.256 CCOC(=O)CCCCCCCCOCC(C)C 34a_100000210257_100010175975 [0,2,0,0,0,0|1,0,0]=3 10356 B17R0.256 CCOC(=O)CCCCCCCCOCC(C)F 34a_100015925927_100010175975 [0,2,0,0,0,0|1,0,0]=3 10357 B17R0.256 CCOC(=O)CCCCCCCCOCC(F)F 34a_100000743014_100010175975 [0,2,0,0,0,0|2,0,0]=4 10358 B17R0.256 CCOC(=O)CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100010175975 [0,2,0,0,0,0|1,0,0]=3 10359 B17R0.256 CCOC(=O)CCCCCCCCOC[C@@H](C)N 34a_100000737577_100010175975 [0,2,0,0,0,0|1,0,0]=3 10360 B17R0.256 CCOC(=O)CCCCCCCCSCC(C)C 62a_100000210624_100010175975 [0,2,0,0,0,0|1,0,0]=3 10361 B17R0.256 CCOC(=O)CCCCCCCCSCC(C)O 62a_100011218427_100010175975 [0,2,0,0,0,0|1,0,0]=3 10362 B17R0.256 CCOC(=O)CCCCCCCCSCC(F)F 62a_100011934356_100010175975 [0,2,0,0,0,0|2,0,0]=4 10363 B17R0.256 CCOC(=O)CCCCCCCCSC[C@@H](C)O 62a_100009817552_100010175975 [0,2,0,0,0,0|1,0,0]=3 10364 B17R0.256 CCOC(=O)CCCCCCCNCCC(C)O 2230a_200000755665_100009991516 [0,2,0,0,0,0|1,0,0]=3 10365 B17R0.256 CCOC(=O)CCCCCCCOCCC(=O)C 34a_100000759926_100009991516 [0,2,0,0,0,0|1,0,1]=4 10366 B17R0.256 CCOC(=O)CCCCCCCOCCC(=O)C 7a_100000759926_100009991516 [0,2,0,0,0,0|1,0,1]=4 10367 B17R0.256 CCOC(=O)CCCCCCCOCCC(C)Br 34a_100009893172_100009991516 [0,2,0,0,0,0|1,0,0]=3 10368 B17R0.256 CCOC(=O)CCCCCCCOCCC(C)C 34a_100000210254_100009991516 [0,2,0,0,0,0|1,0,0]=3 10369 B17R0.256 CCOC(=O)CCCCCCCOCCC(C)C 7a_100000210254_100009991516 [0,2,0,0,0,0|1,0,0]=3 10370 B17R0.256 CCOC(=O)CCCCCCCOCCC(F)F 34a_100103093639_100009991516 [0,2,0,0,0,0|2,0,0]=4 10371 B17R0.256 CCOC(=O)CCCCCCCOCC[C@@H](C)N 34a_100000706166_100009991516 [0,2,0,0,0,0|1,0,0]=3 10372 B17R0.256 CCOC(=O)CCCCCCCSCCC(=O)C 62a_100000053229_100009991516 [0,2,0,0,0,0|1,0,1]=4 10373 B17R0.256 CCOC(=O)CCCCCCCSCCC(C)C 62a_100000210312_100009991516 [0,2,0,0,0,0|1,0,0]=3 10374 B17R0.256 CCOC(=O)CCCCCCCSCCC(C)O 62a_100012276601_100009991516 [0,2,0,0,0,0|1,0,0]=3 10375 B17R0.256 CCOC(=O)CCCCCCCSCOC(C)C 62a_100000709892_100009991516 [0,2,0,0,0,0|2,0,0]=4 10376 B17R0.256 CCOC(=O)CCCCCCNCCCC(C)C 2230a_200000737386_100009814379 [0,2,0,0,0,0|1,0,0]=3 10377 B17R0.256 CCOC(=O)CCCCCCNCCCC(C)C 34a_200000737386_100009814379 [0,2,0,0,0,0|1,0,0]=3 10378 B17R0.256 CCOC(=O)CCCCCCNCCCS(=O)C 2230a_200000753449_100009814379 [0,2,0,0,0,0|2,0,0]=4 10379 B17R0.256 CCOC(=O)CCCCCCNCCOC(C)C 2230a_100000701111_100009814379 [0,2,0,0,0,0|2,0,0]=4 10380 B17R0.256 CCOC(=O)CCCCCCNCCOC(C)C 34a_100000701111_100009814379 [0,2,0,0,0,0|2,0,0]=4 10381 B17R0.256 CCOC(=O)CCCCCCNCCSC(C)C 2230a_100000731138_100009814379 [0,2,0,0,0,0|2,0,0]=4 10382 B17R0.256 CCOC(=O)CCCCCCNCCSC(C)C 34a_100000731138_100009814379 [0,2,0,0,0,0|2,0,0]=4 10383 B17R0.256 CCOC(=O)CCCCCCOCCCC(=O)C 34a_100000759063_100009814379 [0,2,0,0,0,0|1,0,1]=4 10384 B17R0.256 CCOC(=O)CCCCCCOCCCC(=O)C 7a_100000759063_100009814379 [0,2,0,0,0,0|1,0,1]=4 10385 B17R0.256 CCOC(=O)CCCCCCOCCCC(C)C 34a_100000210774_100009814379 [0,2,0,0,0,0|1,0,0]=3 10386 B17R0.256 CCOC(=O)CCCCCCOCCCC(C)C 7a_100000210774_100009814379 [0,2,0,0,0,0|1,0,0]=3 10387 B17R0.256 CCOC(=O)CCCCCCOCCNC(C)C 34a_100000224655_100009814379 [0,2,0,0,0,0|2,0,0]=4 10388 B17R0.256 CCOC(=O)CCCCCCOCCOC(C)C 34a_100000211219_100009814379 [0,2,0,0,0,0|2,0,0]=4 10389 B17R0.256 CCOC(=O)CCCCCCOCCOC(C)C 7a_100000211219_100009814379 [0,2,0,0,0,0|2,0,0]=4 10390 B17R0.256 CCOC(=O)CCCCCCOCCSC(C)C 34a_200011212901_100009814379 [0,2,0,0,0,0|2,0,0]=4 10391 B17R0.256 CCOC(=O)CCCCCCOCCSC(C)C 7a_200011212901_100009814379 [0,2,0,0,0,0|2,0,0]=4 10392 B17R0.256 CCOC(=O)CCCCCCSCCCC(=O)C 62a_100011215641_100009814379 [0,2,0,0,0,0|1,0,1]=4 10393 B17R0.256 CCOC(=O)CCCCCCSCCCC(C)C 62a_100011214892_100009814379 [0,2,0,0,0,0|1,0,0]=3 10394 B17R0.256 CCOC(=O)CCCCCCSCCCC(C)O 62a_200000718107_100009814379 [0,2,0,0,0,0|1,0,0]=3 10395 B17R0.256 CCOC(=O)CCCCCCSCCOC(C)C 62a_100000211751_100009814379 [0,2,0,0,0,0|2,0,0]=4 10396 B17R0.256 CCOC(=O)CCCCCCSCCSC(C)C 62a_100000730970_100009814379 [0,2,0,0,0,0|2,0,0]=4 10397 B17R0.256 CCOC(=O)CCCCCNCCCOC(C)C 2230a_100000737246_100000755133 [0,2,0,0,0,0|2,0,0]=4 10398 B17R0.256 CCOC(=O)CCCCCNCCCOC(C)C 34a_100000737246_100000755133 [0,2,0,0,0,0|2,0,0]=4 10399 B17R0.256 CCOC(=O)CCCCCOCCCCC(=O)C 7a_100011214988_100000735457 [0,2,0,0,0,0|1,0,1]=4 10400 B17R0.256 CCOC(=O)CCCCCOCCCCC(C)C 34a_100011214890_100000755133 [0,2,0,0,0,0|1,0,0]=3 10401 B17R0.256 CCOC(=O)CCCCCOCCCCC(C)C 7a_100011214890_100000755133 [0,2,0,0,0,0|1,0,0]=3 10402 B17R0.256 CCOC(=O)CCCCCOCCCCC(C)C 7a_100011214988_100011216152 [0,2,0,0,0,0|1,0,0]=3 10403 B17R0.256 CCOC(=O)CCCCCOCCCNC(C)C 34a_100000182298_100000755133 [0,2,0,0,0,0|2,0,0]=4 10404 B17R0.256 CCOC(=O)CCCCCOCCNCC(C)C 34a_100015185251_100000755133 [0,2,0,0,0,0|2,0,0]=4 10405 B17R0.256 CCOC(=O)CCCCCOCCOCC(C)C 34a_100000703358_100000755133 [0,2,0,0,0,0|2,0,0]=4 10406 B17R0.256 CCOC(=O)CCCCCOCCOCC(C)C 7a_100000703358_100000755133 [0,2,0,0,0,0|2,0,0]=4 10407 B17R0.256 CCOC(=O)CCCCCOCCSCC(C)C 34a_200000230437_100000755133 [0,2,0,0,0,0|2,0,0]=4 10408 B17R0.256 CCOC(=O)CCCCCOCCSCC(C)C 7a_200000230437_100000755133 [0,2,0,0,0,0|2,0,0]=4 10409 B17R0.256 CCOC(=O)CCCCCSCCCCC(=O)C 62a_100000735457_100000755133 [0,2,0,0,0,0|1,0,1]=4 10410 B17R0.256 CCOC(=O)CCCCCSCCCCC(=O)C 62a_100000755133_100000735457 [0,2,0,0,0,0|1,0,1]=4 10411 B17R0.256 CCOC(=O)CCCCCSCCCCC(C)C 62a_100000755133_100011216152 [0,2,0,0,0,0|1,0,0]=3 10412 B17R0.256 CCOC(=O)CCCCCSCCCCC(C)C 62a_100011216152_100000755133 [0,2,0,0,0,0|1,0,0]=3 10413 B17R0.256 CCOC(=O)CCCCCSCCCCN(C)C 62a_100000755133_100000690147 [0,2,0,0,0,0|2,0,0]=4 10414 B17R0.256 CCOC(=O)CCCCNCCCCCC(C)C 2230a_100011290863_100000750268 [0,2,0,0,0,0|1,0,0]=3 10415 B17R0.256 CCOC(=O)CCCCNCCCCCC(C)C 34a_100011290863_100000750268 [0,2,0,0,0,0|1,0,0]=3 10416 B17R0.256 CCOC(=O)CCCCNCCCOCC(C)C 2230a_100000205972_100000750268 [0,2,0,0,0,0|2,0,0]=4 10417 B17R0.256 CCOC(=O)CCCCNCCCOCC(C)C 34a_100000205972_100000750268 [0,2,0,0,0,0|2,0,0]=4 10418 B17R0.256 CCOC(=O)CCCCOCCCCCC(C)C 34a_100011995859_100000750268 [0,2,0,0,0,0|1,0,0]=3 10419 B17R0.256 CCOC(=O)CCCCOCCCCCC(C)C 7a_100011995859_100000750268 [0,2,0,0,0,0|1,0,0]=3 10420 B17R0.256 CCOC(=O)CCCCOCCCCNC(C)C 34a_100011521146_100000750268 [0,2,0,0,0,0|2,0,0]=4 10421 B17R0.256 CCOC(=O)CCCCSCCCCCC(C)C 62a_100000210682_100000750268 [0,2,0,0,0,0|1,0,0]=3 10422 B17R0.256 CCOC(=O)CCCCSCCCCCC(C)C 62a_100000750268_100000210682 [0,2,0,0,0,0|1,0,0]=3 10423 B17R0.256 CCOC(=O)CCCNCCCCCCC(C)C 2230a_100000211014_100009991533 [0,2,0,0,0,0|1,0,0]=3 10424 B17R0.256 CCOC(=O)CCCNCCCCCCC(C)C 34a_100000211014_100009991533 [0,2,0,0,0,0|1,0,0]=3 10425 B17R0.256 CCOC(=O)CCCOCCCCCNC(C)C 34a_100011629493_100009991533 [0,2,0,0,0,0|2,0,0]=4 10426 B17R0.256 CCOC(=O)CCOCCCCCCCC(C)C 34a_200000210741_100000765890 [0,2,0,0,0,0|1,0,0]=3 10427 B17R0.256 CCOC(=O)CCOCCCCCCCC(C)C 7a_200000210741_100011206558 [0,2,0,0,0,0|1,0,0]=3 10428 B17R0.256 CCOC(=O)COCCCOCCCCC(C)C 34a_100011214890_100009893628 [0,2,0,0,0,0|2,0,0]=4 10429 B17R0.256 CCOC(=O)COCCCOCCCCC(C)C 7a_100011214890_100009893628 [0,2,0,0,0,0|2,0,0]=4 10430 B17R0.256 CCOC(=O)COCCCSCCCCC(C)C 62a_100009893628_100011216152 [0,2,0,0,0,0|2,0,0]=4 10431 B17R0.256 CCOC(=O)COCCCSCCCCC(C)C 62a_100011216152_100009893628 [0,2,0,0,0,0|2,0,0]=4 10432 B17R0.256 CCOC(=O)COCCNCCCCCC(C)C 2230a_100011290863_100000088970 [0,2,0,0,0,0|2,0,0]=4 10433 B17R0.256 CCOC(=O)COCCNCCCCCC(C)C 34a_100011290863_100000088970 [0,2,0,0,0,0|2,0,0]=4 10434 B17R0.256 CCOC(=O)COCCOCCCCCC(C)C 34a_100011995859_100000088970 [0,2,0,0,0,0|2,0,0]=4 10435 B17R0.256 CCOC(=O)COCCOCCCCCC(C)C 7a_100011995859_100000088970 [0,2,0,0,0,0|2,0,0]=4 10436 B17R0.256 CCOC(=O)COCCSCCCCCC(C)C 62a_100000088970_100000210682 [0,2,0,0,0,0|2,0,0]=4 10437 B17R0.256 CCOC(=O)COCCSCCCCCC(C)C 62a_100000210682_100000088970 [0,2,0,0,0,0|2,0,0]=4 10438 B17R0.256 CCOC(=O)CSCCOCCCCCC(C)C 7a_200000230590_100000210682 [0,2,0,0,0,0|2,0,0]=4 10439 B17R0.285 CCCC(=O)CCCCCCCCC(=O)OCC 1458a_100000211992_100010175975 [0,2,0,0,0,0|1,0,0]=3 10440 B17R0.285 CCCC(=O)CCCCCCCCC(=O)OCC 1458a_200000016031_100000210303 [0,2,0,0,0,0|1,0,0]=3 10441 B17R0.285 CCCC(=O)CSCCCCCCC(=O)OCC 62a_100000747444_100009814379 [0,2,0,0,0,0|1,0,1]=4 10442 B17R0.285 CCCC(C)CCCOCCCCC(=O)OCC 34a_100011713154_100000750268 [0,2,0,0,0,0|1,0,0]=3 10443 B17R0.285 CCCC(C)CCCOCCCCC(=O)OCC 7a_100011713154_100000750268 [0,2,0,0,0,0|1,0,0]=3 10444 B17R0.285 CCCC(C)CCCOCCOCC(=O)OCC 34a_100011713154_100000088970 [0,2,0,0,0,0|2,0,0]=4 10445 B17R0.285 CCCC(C)CCCOCCOCC(=O)OCC 7a_100011713154_100000088970 [0,2,0,0,0,0|2,0,0]=4 10446 B17R0.285 CCCC(C)CCOCCCCCC(=O)OCC 34a_100011217855_100000755133 [0,2,0,0,0,0|1,0,0]=3 10447 B17R0.285 CCCC(C)CCOCCCCCC(=O)OCC 7a_100011217855_100000755133 [0,2,0,0,0,0|1,0,0]=3 10448 B17R0.285 CCCC(C)CCOCCCOCC(=O)OCC 34a_100011217855_100009893628 [0,2,0,0,0,0|2,0,0]=4 10449 B17R0.285 CCCC(C)CCOCCCOCC(=O)OCC 7a_100011217855_100009893628 [0,2,0,0,0,0|2,0,0]=4 10450 B17R0.285 CCCC(C)COCCCCCCC(=O)OCC 34a_100000688023_100009814379 [0,2,0,0,0,0|1,0,0]=3 10451 B17R0.285 CCCC(C)COCCCCCCC(=O)OCC 7a_100000688023_100009814379 [0,2,0,0,0,0|1,0,0]=3 10452 B17R0.285 CCCC(C)CSCCCCCCC(=O)OCC 62a_100011216630_100009814379 [0,2,0,0,0,0|1,0,0]=3 10453 B17R0.285 CCCC(C)NCCCCCCCC(=O)OCC 2230a_100000741246_100009991516 [0,2,0,0,0,0|1,0,0]=3 10454 B17R0.285 CCCC(C)OCCCCCCCC(=O)OCC 34a_100000764384_100009991516 [0,2,0,0,0,0|1,0,0]=3 10455 B17R0.285 CCCC(C)OCCCCCCCC(=O)OCC 7a_100000764384_100009991516 [0,2,0,0,0,0|1,0,0]=3 10456 B17R0.285 CCCC(C)SCCCCCCCC(=O)OCC 62a_100000766640_100009991516 [0,2,0,0,0,0|1,0,0]=3 10457 B17R0.285 CCCN(C)CCCCCCCCC(=O)OCC 2230a_100000747261_100010175975 [0,2,0,0,0,0|1,0,0]=3 10458 B17R0.285 CCCN(C)CCCCCCCCC(=O)OCC 269982a_100000747261_100010175975 [0,2,0,0,0,0|1,0,0]=3 10459 B17R0.285 CCC[C@H](N)CCOCCCCCC(=O)OCC 34a_100015193777_100000755133 [0,2,0,0,0,0|1,0,0]=3 10460 B17R0.285 CCC[C@H](N)CCOCCCOCC(=O)OCC 34a_100015193777_100009893628 [0,2,0,0,0,0|2,0,0]=4 10461 B17R0.285 CCC[C@H](N)COCCCCCCC(=O)OCC 34a_100000732646_100009814379 [0,2,0,0,0,0|1,0,0]=3 10462 B17R0.285 CCNC(=O)CCCCCCCCC(=O)OCC 11a_100015525214_200000016031 [0,2,0,0,0,0|0,0,1]=3 10463 B17R0.285 CCNC(=O)CCCCCCCCC(=O)OCC 240690a_100015525214_200000016031 [0,2,0,0,0,0|0,0,1]=3 10464 B17R0.285 CCNC(=O)CCCCCCCCC(=O)OCC 527a_100015525214_200000016031 [0,2,0,0,0,0|0,0,1]=3 10465 B17R0.285 CCNC(=O)CCNCCCCCC(=O)OCC 34a_100025743525_100000755133 [0,2,0,0,0,0|1,0,1]=4 10466 B17R0.285 CCNC(=O)CCOCCCCCC(=O)OCC 7a_100011214988_100000737597 [0,2,0,0,0,0|1,0,1]=4 10467 B17R0.285 CCNC(=O)CCSCCCCCC(=O)OCC 62a_100000737597_100000755133 [0,2,0,0,0,0|1,0,1]=4 10468 B17R0.285 CCNC(=O)CCSCCCCCC(=O)OCC 62a_100000755133_100000737597 [0,2,0,0,0,0|1,0,1]=4 10469 B17R0.285 CCNC(=O)CNCCCCCCC(=O)OCC 2230a_100016988866_100009814379 [0,2,0,0,0,0|1,0,1]=4 10470 B17R0.285 CCNC(=O)CSCCCCCCC(=O)OCC 62a_100000183381_100009814379 [0,2,0,0,0,0|1,0,1]=4 10471 B17R0.285 CCOC(=O)CCCCCCCCC(=O)CCF 1458a_200000016031_100011217306 [0,2,0,0,0,0|1,0,1]=4 10472 B17R0.285 CCOC(=O)CCCCCCCCC(=O)CCO 1458a_100011216618_100010175975 [0,2,0,0,0,0|1,0,1]=4 10473 B17R0.285 CCOC(=O)CCCCCCCCC(=O)CCO 1458a_200000016031_100000211926 [0,2,0,0,0,0|1,0,1]=4 10474 B17R0.285 CCOC(=O)CCCCCCCCC(=O)COC 1458a_100000210968_100010175975 [0,2,0,0,0,0|1,0,1]=4 10475 B17R0.285 CCOC(=O)CCCCCCCCC(=O)CSC 1458a_100000184570_100010175975 [0,2,0,0,0,0|1,0,1]=4 10476 B17R0.285 CCOC(=O)CCCCCCCCC(=O)NNC 22a_100016993582_200000016031 [0,2,0,0,0,0|1,0,1]=4 10477 B17R0.285 CCOC(=O)CCCCCCCCN(C)CCO 2230a_100000210263_100010175975 [0,2,0,0,0,0|2,0,0]=4 10478 B17R0.285 CCOC(=O)CCCCCCCCN(C)CCO 269982a_100000210263_100010175975 [0,2,0,0,0,0|2,0,0]=4 10479 B17R0.285 CCOC(=O)CCCCCCCN[C@H](C)CCO 2230a_100000706166_100009991516 [0,2,0,0,0,0|2,0,0]=4 10480 B17R0.285 CCOC(=O)CCCCCCCN[C@H](C)CCO 34a_100000706166_100009991516 [0,2,0,0,0,0|2,0,0]=4 10481 B17R0.285 CCOC(=O)CCCCCCCN[C@H](C)COC 2230a_100000764878_100009991516 [0,2,0,0,0,0|2,0,0]=4 10482 B17R0.285 CCOC(=O)CCCCCCCOC(C)CCBr 34a_100012276601_100009991516 [0,2,0,0,0,0|2,0,0]=4 10483 B17R0.285 CCOC(=O)CCCCCCCO[C@H](C)COC 34a_100011934205_100009991516 [0,2,0,0,0,0|2,0,0]=4 10484 B17R0.285 CCOC(=O)CCCCCCCSC(C)CCO 62a_100009893172_100009991516 [0,2,0,0,0,0|2,0,0]=4 10485 B17R0.285 CCOC(=O)CCCCCCCSC(C)COC 62a_100000765312_100009991516 [0,2,0,0,0,0|2,0,0]=4 10486 B17R0.285 CCOC(=O)CCCCCCNCC(O)COC 2230a_100000756049_100009814379 [0,2,0,0,0,0|2,0,0]=4 10487 B17R0.285 CCOC(=O)CCCCCCNCC(O)COC 34a_100000756049_100009814379 [0,2,0,0,0,0|2,0,0]=4 10488 B17R0.285 CCOC(=O)CCCCCCOCC(C)CCN 34a_106354213184_100009814379 [0,2,0,0,0,0|2,0,0]=4 10489 B17R0.285 CCOC(=O)CCCCCCOCC(N)COC 34a_100000724102_100009814379 [0,2,0,0,0,0|2,0,0]=4 10490 B17R0.285 CCOC(=O)CCCCCCSCC(O)COC 62a_100011215053_100009814379 [0,2,0,0,0,0|2,0,0]=4 10491 B17R0.383 CCCCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210326 [0,2,0,0,0,0|1,0,0]=3 10492 B17R0.383 CCCCCC(=O)CCCCCCC(=O)OCC 1458a_100000212188_100009814379 [0,2,0,0,0,0|1,0,0]=3 10493 B17R0.383 CCCCCC(=O)CSCCCCC(=O)OCC 62a_100000750268_200012276598 [0,2,0,0,0,0|1,0,1]=4 10494 B17R0.383 CCCCCC(=O)CSCCCCC(=O)OCC 62a_200012276598_100000750268 [0,2,0,0,0,0|1,0,1]=4 10495 B17R0.383 CCCCCC(=O)NCCCCCC(=O)OCC 188690a_100000062434_100000212188 [0,2,0,0,0,0|1,0,1]=4 10496 B17R0.383 CCCCCC(C)NCCCCCC(=O)OCC 2230a_100000211957_100000755133 [0,2,0,0,0,0|1,0,0]=3 10497 B17R0.383 CCCCCC(C)NCCCOCC(=O)OCC 2230a_100000211957_100009893628 [0,2,0,0,0,0|2,0,0]=4 10498 B17R0.383 CCCCCC(C)OCCCCCC(=O)OCC 34a_100011215632_100000755133 [0,2,0,0,0,0|1,0,0]=3 10499 B17R0.383 CCCCCC(C)OCCCCCC(=O)OCC 7a_100011214988_200011218191 [0,2,0,0,0,0|1,0,0]=3 10500 B17R0.383 CCCCCC(C)OCCCCCC(=O)OCC 7a_100011215632_100000755133 [0,2,0,0,0,0|1,0,0]=3 10501 B17R0.383 CCCCCC(C)OCCCOCC(=O)OCC 34a_100011215632_100009893628 [0,2,0,0,0,0|2,0,0]=4 10502 B17R0.383 CCCCCC(C)OCCCOCC(=O)OCC 7a_100011215632_100009893628 [0,2,0,0,0,0|2,0,0]=4 10503 B17R0.383 CCCCCC(C)SCCCCCC(=O)OCC 62a_100000755133_200011218191 [0,2,0,0,0,0|1,0,0]=3 10504 B17R0.383 CCCCCC(C)SCCCCCC(=O)OCC 62a_200011218191_100000755133 [0,2,0,0,0,0|1,0,0]=3 10505 B17R0.383 CCCCCC(C)SCCCOCC(=O)OCC 62a_100009893628_200011218191 [0,2,0,0,0,0|2,0,0]=4 10506 B17R0.383 CCCCCC(C)SCCCOCC(=O)OCC 62a_200011218191_100009893628 [0,2,0,0,0,0|2,0,0]=4 10507 B17R0.383 CCCCCN(C)CCCCCCC(=O)OCC 2230a_100000223495_100009814379 [0,2,0,0,0,0|1,0,0]=3 10508 B17R0.383 CCCCCN(C)CCCCCCC(=O)OCC 269982a_100000223495_100009814379 [0,2,0,0,0,0|1,0,0]=3 10509 B17R0.383 CCCCNC(=O)CCCCCCC(=O)OCC 11a_100000102301_100000031895 [0,2,0,0,0,0|1,0,1]=4 10510 B17R0.383 CCCCNC(=O)CCCCCCC(=O)OCC 1626a_100000102301_100000031895 [0,2,0,0,0,0|1,0,1]=4 10511 B17R0.383 CCCCNC(=O)CCCCCCC(=O)OCC 240690a_100000102301_100000031895 [0,2,0,0,0,0|1,0,1]=4 10512 B17R0.383 CCCCNC(=O)CCCCCCC(=O)OCC 527a_100000102301_100000031895 [0,2,0,0,0,0|1,0,1]=4 10513 B17R0.383 CCCOCC(=O)CCCCCCC(=O)OCC 1458a_100000745993_100009814379 [0,2,0,0,0,0|1,0,1]=4 10514 B17R0.383 CCCSCC(=O)CCCCCCC(=O)OCC 1458a_100000217233_100009814379 [0,2,0,0,0,0|1,0,1]=4 10515 B17R0.383 CCOC(=O)CCCCCCC(=O)CCCCF 1458a_100000031895_100000729493 [0,2,0,0,0,0|1,0,1]=4 10516 B17R0.383 CCOC(=O)CCCCCCC(=O)CCCCO 1458a_100000031895_100000210776 [0,2,0,0,0,0|1,0,1]=4 10517 B17R0.383 CCOC(=O)CCCCCCC(=O)CCCCO 1458a_100000695505_100009814379 [0,2,0,0,0,0|1,0,1]=4 10518 B17R0.383 CCOC(=O)CCCCCCC(=O)CCCOC 1458a_100000031895_100000740836 [0,2,0,0,0,0|1,0,1]=4 10519 B17R0.383 CCOC(=O)CCCCCCC(=O)CCCOC 1458a_100000741012_100009814379 [0,2,0,0,0,0|1,0,1]=4 10520 B17R0.383 CCOC(=O)CCCCCCC(=O)CCCSC 1458a_100000173376_100009814379 [0,2,0,0,0,0|1,0,1]=4 10521 B17R0.383 CCOC(=O)CCCCCCC(=O)CCSCC 1458a_100000031895_100000757381 [0,2,0,0,0,0|1,0,1]=4 10522 B17R0.383 CCOC(=O)CCCCCCC(=O)CCSCC 1458a_100000230768_100009814379 [0,2,0,0,0,0|1,0,1]=4 10523 B17R0.383 CCOC(=O)CCCCCCN(C)CCCCO 2230a_100000717598_100009814379 [0,2,0,0,0,0|2,0,0]=4 10524 B17R0.383 CCOC(=O)CCCCCCN(C)CCCCO 269982a_100000717598_100009814379 [0,2,0,0,0,0|2,0,0]=4 10525 B17R0.383 CCOC(=O)CCCCCCN(C)CCCOC 2230a_100000224831_100009814379 [0,2,0,0,0,0|2,0,0]=4 10526 B17R0.383 CCOC(=O)CCCCCCN(C)CCCOC 269982a_100000224831_100009814379 [0,2,0,0,0,0|2,0,0]=4 10527 B17R0.383 CCOC(=O)CCCCCOC(C)CCCOC 34a_200011539412_100000755133 [0,2,0,0,0,0|2,0,0]=4 10528 B17R0.383 CCOC(=O)CCCCCOC(C)CCCOC 7a_200011539412_100000755133 [0,2,0,0,0,0|2,0,0]=4 10529 B17R0.383 CCOC(=O)CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000750268 [0,2,0,0,0,0|2,0,0]=4 10530 B17R0.383 CCOCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100011215890 [0,2,0,0,0,0|1,0,1]=4 10531 B17R0.383 CCOCCC(=O)CCCCCCC(=O)OCC 1458a_100000749530_100009814379 [0,2,0,0,0,0|1,0,1]=4 10532 B17R0.1022 C#CCCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100012276617 [0,2,0,0,0,0|0,0,2]=4 10533 B17R0.1022 C=CCCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100011215473 [0,2,0,0,0,0|0,0,2]=4 10534 B17R0.1022 CCCCCC#CCC(=O)CCCC(=O)NCC 1458a_100000199580_100009816472 [0,2,0,0,0,0|0,0,2]=4 10535 B17R0.1022 CCCCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210759 [0,2,0,0,0,0|0,0,0]=2 10536 B17R0.1022 CCCCCCCCC(=O)CCCC(=O)OCC 1458a_100000210188_100011215271 [0,2,0,0,0,0|1,0,0]=3 10537 B17R0.1022 CCCCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210759 [0,2,0,0,0,0|1,0,0]=3 10538 B17R0.1022 CCCCCCCCC(=O)CCNC(=O)OCC 1458a_100000210188_200011445536 [0,2,0,0,0,0|1,0,1]=4 10539 B17R0.1022 CCCCCCCCC(=O)CCSC(=S)NCC 1458a_200009862762_100000210759 [0,2,0,0,0,0|0,1,1]=4 10540 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210188 [0,2,0,0,0,0|0,0,1]=3 10541 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210188 [0,2,0,0,0,0|0,0,1]=3 10542 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210188 [0,2,0,0,0,0|0,0,1]=3 10543 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210188 [0,2,0,0,0,0|0,0,1]=3 10544 B17R0.1022 CCCCCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210188 [0,2,0,0,0,0|1,0,1]=4 10545 B17R0.1022 CCCCCCCCC(C)CNCC(=O)NCC 270004a_100016988866_100011995885 [0,2,0,0,0,0|0,0,0]=2 10546 B17R0.1022 CCCCCCCCC(C)COCC(=O)CCC 7a_200012125181_100000747444 [0,2,0,0,0,0|1,0,0]=3 10547 B17R0.1022 CCCCCCCCC(C)COCC(=O)NCC 34a_200012125181_100000183381 [0,2,0,0,0,0|0,0,0]=2 10548 B17R0.1022 CCCCCCCCC(C)COCC(=O)NCC 7a_200012125181_100000183381 [0,2,0,0,0,0|0,0,0]=2 10549 B17R0.1022 CCCCCCCCC(C)COCC(=O)NCO 34a_200012125181_100000185155 [0,2,0,0,0,0|1,0,0]=3 10550 B17R0.1022 CCCCCCCCC(C)COCC(=O)NCO 7a_200012125181_100000185155 [0,2,0,0,0,0|1,0,0]=3 10551 B17R0.1022 CCCCCCCCC(C)COCC(=O)OCC 34a_200012125181_100000188475 [0,2,0,0,0,0|1,0,0]=3 10552 B17R0.1022 CCCCCCCCC(C)COCC(=O)OCC 7a_200012125181_100000188475 [0,2,0,0,0,0|1,0,0]=3 10553 B17R0.1022 CCCCCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100011216694 [0,2,0,0,0,0|0,0,0]=2 10554 B17R0.1022 CCCCCCCCC(C)OCCC(=O)NCC 7a_100000210740_100000737597 [0,2,0,0,0,0|0,0,0]=2 10555 B17R0.1022 CCCCCCCCC(C)OCCC(=O)OCC 34a_100000210740_100000765890 [0,2,0,0,0,0|1,0,0]=3 10556 B17R0.1022 CCCCCCCCC(C)OCCC(=O)OCC 7a_100000210740_100011206558 [0,2,0,0,0,0|1,0,0]=3 10557 B17R0.1022 CCCCCCCCC(C)OCOC(=O)CCC 34a_100000210740_100000034017 [0,2,0,0,0,0|2,0,0]=4 10558 B17R0.1022 CCCCCCCCN(C)CCCC(=O)OCC 2230a_100000207567_100009991533 [0,2,0,0,0,0|1,0,0]=3 10559 B17R0.1022 CCCCCCCCN(C)CCCC(=O)OCC 269982a_100000207567_100009991533 [0,2,0,0,0,0|1,0,0]=3 10560 B17R0.1022 CCCCCCCCN(C)CCNC(=O)OCC 269982a_100000207567_200011445536 [0,2,0,0,0,0|2,0,0]=4 10561 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)NCC 11a_100000229938_100000199580 [0,2,0,0,0,0|0,0,1]=3 10562 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)NCC 1626a_100000229938_100000199580 [0,2,0,0,0,0|0,0,1]=3 10563 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)NCC 240690a_100000229938_100000199580 [0,2,0,0,0,0|0,0,1]=3 10564 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)NCC 527a_100000229938_100000199580 [0,2,0,0,0,0|0,0,1]=3 10565 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)OCC 11a_100000229938_100000210991 [0,2,0,0,0,0|1,0,1]=4 10566 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)OCC 1626a_100000229938_100000210991 [0,2,0,0,0,0|1,0,1]=4 10567 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)OCC 240690a_100000229938_100000210991 [0,2,0,0,0,0|1,0,1]=4 10568 B17R0.1022 CCCCCCCNC(=O)CCCC(=O)OCC 527a_100000229938_100000210991 [0,2,0,0,0,0|1,0,1]=4 10569 B17R0.1022 CCCCCCCNC(=O)NCCC(=O)NCC 2708a_100000229938_100025743525 [0,2,0,0,0,0|1,0,1]=4 10570 B17R0.1022 CCCCCCCNC(=O)NCCC(=O)NCC 273464a_100000229938_100025743525 [0,2,0,0,0,0|1,0,1]=4 10571 B17R0.1022 CCCCCCCNC(=O)NCCC(=O)NCC 273464a_100025743525_100000229938 [0,2,0,0,0,0|1,0,1]=4 10572 B17R0.1022 CCCCCCCNC(=O)NCCC(=O)NCC 512a_100000229938_100025743525 [0,2,0,0,0,0|1,0,1]=4 10573 B17R0.1022 CCCCCCCNC(=O)NCCC(=O)NCC 512a_100025743525_100000229938 [0,2,0,0,0,0|1,0,1]=4 10574 B17R0.1022 CCCCSCCNC(=O)CCCC(=O)NCC 11a_100025743550_100000199580 [0,2,0,0,0,0|1,0,1]=4 10575 B17R0.1022 CCCCSCCNC(=O)CCCC(=O)NCC 1626a_100025743550_100000199580 [0,2,0,0,0,0|1,0,1]=4 10576 B17R0.1022 CCCCSCCNC(=O)CCCC(=O)NCC 240690a_100025743550_100000199580 [0,2,0,0,0,0|1,0,1]=4 10577 B17R0.1022 CCCCSCCNC(=O)CCCC(=O)NCC 527a_100025743550_100000199580 [0,2,0,0,0,0|1,0,1]=4 10578 B17R0.1022 CCCOCCCNC(=O)CCCC(=O)NCC 1626a_100011217757_100000199580 [0,2,0,0,0,0|1,0,1]=4 10579 B17R0.1022 CCCOCCCNC(=O)CCCC(=O)NCC 240690a_100011217757_100000199580 [0,2,0,0,0,0|1,0,1]=4 10580 B17R0.1022 CCCOCCCNC(=O)CCCC(=O)NCC 527a_100011217757_100000199580 [0,2,0,0,0,0|1,0,1]=4 10581 B17R0.1022 CCNC(=O)CCCC(=O)CCCCCCC#N 1458a_100000199580_100009813337 [0,2,0,0,0,0|0,0,2]=4 10582 B17R0.1022 CCNC(=O)CCCC(=O)CCCCCCCO 1458a_100000199580_100000760002 [0,2,0,0,0,0|0,0,1]=3 10583 B17R0.1022 CCNC(=O)CCCC(=O)CCCCCCOC 1458a_100000199580_100011998445 [0,2,0,0,0,0|0,0,1]=3 10584 B17R0.1022 CCNC(=O)CCCC(=O)CCCOCCOC 1458a_100000199580_100011216529 [0,2,0,0,0,0|1,0,1]=4 10585 B17R0.1022 CCNC(=O)CCCC(=O)CCOCCOCC 1458a_100000199580_100011211534 [0,2,0,0,0,0|1,0,1]=4 10586 B17R0.1022 CCNC(=O)CCCC(=O)NCCCCCCO 240690a_100000686447_100000199580 [0,2,0,0,0,0|1,0,1]=4 10587 B17R0.1022 CCNC(=O)CCCC(=O)NCCCCCCO 527a_100000686447_100000199580 [0,2,0,0,0,0|1,0,1]=4 10588 B17R0.1022 CCNC(=O)CCCC(=O)NCCCCCOC 11a_100000747528_100000199580 [0,2,0,0,0,0|1,0,1]=4 10589 B17R0.1022 CCNC(=O)CCCC(=O)NCCCCCOC 1626a_100000747528_100000199580 [0,2,0,0,0,0|1,0,1]=4 10590 B17R0.1022 CCNC(=O)CCCC(=O)NCCCCCOC 240690a_100000747528_100000199580 [0,2,0,0,0,0|1,0,1]=4 10591 B17R0.1022 CCNC(=O)CCCC(=O)NCCCCCOC 527a_100000747528_100000199580 [0,2,0,0,0,0|1,0,1]=4 10592 B17R0.1022 CCNC(=O)CCNC(=O)CCCCCCCO 240690a_100025743525_100011219782 [0,2,0,0,0,0|1,0,1]=4 10593 B17R0.1022 CCOC(=O)CCCC(=O)CCCCCCCO 1458a_100000210991_100000760002 [0,2,0,0,0,0|1,0,1]=4 10594 B17R0.1022 CCOC(=O)CCCC(=O)CCCCCCCO 1458a_100011219782_100011215271 [0,2,0,0,0,0|1,0,1]=4 10595 B17R0.1022 CCOC(=O)CCCC(=O)CCCCCCOC 1458a_100000210991_100011998445 [0,2,0,0,0,0|1,0,1]=4 10596 B17R0.3112 C#CCCCCCCCCOCC(=O)N(C)CC 34a_100000065265_100000738999 [0,2,0,0,0,0|0,0,2]=4 10597 B17R0.3112 C#CCCCCCCCCOCC(=O)N(C)CC 7a_100000065265_100000738999 [0,2,0,0,0,0|0,0,2]=4 10598 B17R0.3112 C/C=C(\C)/C(=O)CCCCCCCCCCCC 1458a_100020587367_100000759014 [0,2,0,0,0,0|1,0,1]=4 10599 B17R0.3112 C/C=C(\C)/C(=O)CCCCCCCCCCCO 1458a_100020587367_100009812471 [0,2,0,0,0,0|1,0,1]=4 10600 B17R0.3112 C/C=C(\C)/C(=O)NCCCCCCCCCCC 11a_200011215754_100020587367 [0,2,0,0,0,0|1,0,1]=4 10601 B17R0.3112 C/C=C(\C)/C(=O)NCCCCCCCCCCC 1626a_200011215754_100020587367 [0,2,0,0,0,0|1,0,1]=4 10602 B17R0.3112 C=CCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011093070 [0,2,0,0,0,0|1,0,1]=4 10603 B17R0.3112 C=CCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011093070 [0,2,0,0,0,0|1,0,1]=4 10604 B17R0.3112 C=CCCCCCCCCCNC(=O)N(C)CC 2708a_100000081888_100000225621 [0,2,0,0,0,0|0,0,2]=4 10605 B17R0.3112 C=CCCCCCCCCCNC(=O)N(C)CC 273464a_100000081888_100000225621 [0,2,0,0,0,0|0,0,2]=4 10606 B17R0.3112 C=CCCCCCCCCOCC(=O)N(C)CC 34a_100011215194_100000738999 [0,2,0,0,0,0|0,0,2]=4 10607 B17R0.3112 C=CCCCCCCCCOCC(=O)N(C)CC 7a_100011215194_100000738999 [0,2,0,0,0,0|0,0,2]=4 10608 B17R0.3112 C=CCCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100011933949 [0,2,0,0,0,0|0,0,2]=4 10609 B17R0.3112 C=CCCCCCCCCSCC(=O)N(C)CC 62a_100011933949_100000738999 [0,2,0,0,0,0|0,0,2]=4 10610 B17R0.3112 CCC#CCCCCCCSCC(=O)N(C)CC 62a_100000738999_200000036426 [0,2,0,0,0,0|0,0,2]=4 10611 B17R0.3112 CCC#CCCCCCCSCC(=O)N(C)CC 62a_200000036426_100000738999 [0,2,0,0,0,0|0,0,2]=4 10612 B17R0.3112 CCC(C)C(=O)CCCCCCCCCCCO 1458a_100011192722_100009812471 [0,2,0,0,0,0|1,0,0]=3 10613 B17R0.3112 CCC(C)C(=O)NCCCCCCCCCCO 240690a_100000066964_100011192722 [0,2,0,0,0,0|2,0,0]=4 10614 B17R0.3112 CCC(O)C(=O)CCCCCCCCCCCO 1458a_100011196387_100009812471 [0,2,0,0,0,0|1,0,0]=3 10615 B17R0.3112 CCC(O)C(=O)NCCCCCCCCCCO 240690a_100000066964_100011196387 [0,2,0,0,0,0|2,0,0]=4 10616 B17R0.3112 CCCC/C=C/CCCCOCC(=O)N(C)CC 34a_200020645093_100000738999 [0,2,0,0,0,0|0,0,2]=4 10617 B17R0.3112 CCCC/C=C/CCCCOCC(=O)N(C)CC 7a_200020645093_100000738999 [0,2,0,0,0,0|0,0,2]=4 10618 B17R0.3112 CCCCC#CCCCCCCC(=O)C(C)CC 1458a_100011192722_200000043322 [0,2,0,0,0,0|1,0,1]=4 10619 B17R0.3112 CCCCC#CCCCCCCC(=O)C(O)CC 1458a_100011196387_200000043322 [0,2,0,0,0,0|1,0,1]=4 10620 B17R0.3112 CCCCC#CCCCCOCC(=O)N(C)CC 34a_200000066234_100000738999 [0,2,0,0,0,0|0,0,2]=4 10621 B17R0.3112 CCCCC#CCCCCOCC(=O)N(C)CC 7a_200000066234_100000738999 [0,2,0,0,0,0|0,0,2]=4 10622 B17R0.3112 CCCCC/C=C\CCCOCC(=O)N(C)CC 34a_100020655193_100000738999 [0,2,0,0,0,0|0,0,2]=4 10623 B17R0.3112 CCCCC/C=C\CCCOCC(=O)N(C)CC 7a_100020655193_100000738999 [0,2,0,0,0,0|0,0,2]=4 10624 B17R0.3112 CCCCCCC#CCCOCC(=O)N(C)CC 34a_200000033163_100000738999 [0,2,0,0,0,0|0,0,2]=4 10625 B17R0.3112 CCCCCCC#CCCOCC(=O)N(C)CC 7a_200000033163_100000738999 [0,2,0,0,0,0|0,0,2]=4 10626 B17R0.3112 CCCCCCCC#CCOCC(=O)N(C)CC 34a_200000061759_100000738999 [0,2,0,0,0,0|0,0,2]=4 10627 B17R0.3112 CCCCCCCC#CCOCC(=O)N(C)CC 7a_200000061759_100000738999 [0,2,0,0,0,0|0,0,2]=4 10628 B17R0.3112 CCCCCCCCCCC=CC(=O)N(C)CC 11a_100000225621_100015291182 [0,2,0,0,0,0|0,0,1]=3 10629 B17R0.3112 CCCCCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_100015291182 [0,2,0,0,0,0|0,0,1]=3 10630 B17R0.3112 CCCCCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_100015291182 [0,2,0,0,0,0|0,0,1]=3 10631 B17R0.3112 CCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000759014 [0,2,0,0,0,0|2,0,0]=4 10632 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000759014 [0,2,0,0,0,0|1,0,0]=3 10633 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)CC 1458a_100011215791_100000758301 [0,2,0,0,0,0|1,0,0]=3 10634 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000759014 [0,2,0,0,0,0|2,0,0]=4 10635 B17R0.3112 CCCCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000759014 [0,2,0,0,0,0|2,0,0]=4 10636 B17R0.3112 CCCCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000759014 [0,2,0,0,0,0|1,0,0]=3 10637 B17R0.3112 CCCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000759014 [0,2,0,0,0,0|2,0,0]=4 10638 B17R0.3112 CCCCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100011215791 [0,2,0,0,0,0|0,0,0]=2 10639 B17R0.3112 CCCCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100011215791 [0,2,0,0,0,0|0,0,0]=2 10640 B17R0.3112 CCCCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100011215791 [0,2,0,0,0,0|0,0,0]=2 10641 B17R0.3112 CCCCCCCCCCCCC(C)N(C)CC 2230a_100000225621_200011217028 [0,2,0,0,0,0|1,0,1]=4 10642 B17R0.3112 CCCCCCCCCCCCC(C)N(C)CC 269982a_100000225621_200011217028 [0,2,0,0,0,0|1,0,1]=4 10643 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)NC 1626a_200011215754_100011218921 [0,2,0,0,0,0|2,0,0]=4 10644 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)NC 240690a_200011215754_100011218921 [0,2,0,0,0,0|2,0,0]=4 10645 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)NC 527a_200011215754_100011218921 [0,2,0,0,0,0|2,0,0]=4 10646 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 11a_200011215754_100000024059 [0,2,0,0,0,0|2,0,0]=4 10647 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 1626a_200011215754_100000024059 [0,2,0,0,0,0|2,0,0]=4 10648 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 240690a_200011215754_100000024059 [0,2,0,0,0,0|2,0,0]=4 10649 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 527a_200011215754_100000024059 [0,2,0,0,0,0|2,0,0]=4 10650 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 11a_200011215754_100011192722 [0,2,0,0,0,0|1,0,0]=3 10651 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 1626a_200011215754_100011192722 [0,2,0,0,0,0|1,0,0]=3 10652 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 240690a_200011215754_100011192722 [0,2,0,0,0,0|1,0,0]=3 10653 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)CC 527a_200011215754_100011192722 [0,2,0,0,0,0|1,0,0]=3 10654 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 11a_200011215754_100000743197 [0,2,0,0,0,0|2,0,0]=4 10655 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 1626a_200011215754_100000743197 [0,2,0,0,0,0|2,0,0]=4 10656 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 240690a_200011215754_100000743197 [0,2,0,0,0,0|2,0,0]=4 10657 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)OC 527a_200011215754_100000743197 [0,2,0,0,0,0|2,0,0]=4 10658 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 11a_200011215754_100000149566 [0,2,0,0,0,0|2,0,0]=4 10659 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 1626a_200011215754_100000149566 [0,2,0,0,0,0|2,0,0]=4 10660 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 240690a_200011215754_100000149566 [0,2,0,0,0,0|2,0,0]=4 10661 B17R0.3112 CCCCCCCCCCCNC(=O)C(C)SC 527a_200011215754_100000149566 [0,2,0,0,0,0|2,0,0]=4 10662 B17R0.3112 CCCCCCCCCCCNC(=O)C(O)CC 240690a_200011215754_100011196387 [0,2,0,0,0,0|1,0,0]=3 10663 B17R0.3112 CCCCCCCCCCCNC(=O)C(O)CO 240690a_200011215754_100011215603 [0,2,0,0,0,0|2,0,0]=4 10664 B17R0.3112 CCCCCCCCCCCNC(=O)N(C)CC 2708a_200011215754_100000225621 [0,2,0,0,0,0|0,0,0]=2 10665 B17R0.3112 CCCCCCCCCCCNC(=O)N(C)CC 273464a_200011215754_100000225621 [0,2,0,0,0,0|0,0,0]=2 10666 B17R0.3112 CCCCCCCCCCNCC(=O)C(=O)OC 34a_100000684558_100011610305 [0,2,0,0,0,0|2,0,0]=4 10667 B17R0.3112 CCCCCCCCCCNCC(=O)N(C)CC 2230a_100000684558_100000738999 [0,2,0,0,0,0|0,0,0]=2 10668 B17R0.3112 CCCCCCCCCCNCC(=O)N(C)CC 34a_100000684558_100000738999 [0,2,0,0,0,0|0,0,0]=2 10669 B17R0.3112 CCCCCCCCCCNCC(=O)N(C)OC 2230a_100000684558_100000764215 [0,2,0,0,0,0|1,0,0]=3 10670 B17R0.3112 CCCCCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210320 [0,2,0,0,0,0|1,0,0]=3 10671 B17R0.3112 CCCCCCCCCCOCC(=O)C(=O)OC 34a_100000210711_100011610305 [0,2,0,0,0,0|2,0,0]=4 10672 B17R0.3112 CCCCCCCCCCOCC(=O)N(C)CC 34a_100000210711_100000738999 [0,2,0,0,0,0|0,0,0]=2 10673 B17R0.3112 CCCCCCCCCCOCC(=O)N(C)CC 7a_100000210711_100000738999 [0,2,0,0,0,0|0,0,0]=2 10674 B17R0.3112 CCCCCCCCCCOCC(=O)N(C)OC 7a_100000210711_100000764215 [0,2,0,0,0,0|1,0,0]=3 10675 B17R0.3112 CCCCCCCCCCOCC(C)N(C)CC 7a_100000732741_100000210320 [0,2,0,0,0,0|1,0,1]=4 10676 B17R0.3112 CCCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210320 [0,2,0,0,0,0|2,0,0]=4 10677 B17R0.3112 CCCCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210320 [0,2,0,0,0,0|0,0,0]=2 10678 B17R0.3112 CCCCCCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210320 [0,2,0,0,0,0|1,0,0]=3 10679 B17R0.3112 CCCCCCCCOCCCC(=O)N(C)OC 7a_100000210232_100011842776 [0,2,0,0,0,0|1,0,0]=3 10680 B17R0.3112 CCCCCCCCSCCCC(=O)N(C)OC 62a_100000210759_100011842776 [0,2,0,0,0,0|1,0,0]=3 10681 B17R0.3112 CCCCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210317 [0,2,0,0,0,0|1,0,0]=3 10682 B17R0.3112 CCCCCOCCOCCCC(=O)N(C)OC 7a_100011215259_100011842776 [0,2,0,0,0,0|2,0,0]=4 10683 B17R0.3112 CCCCOCCCOCCCC(=O)N(C)OC 7a_200011215613_100011842776 [0,2,0,0,0,0|2,0,0]=4 10684 B17R0.3112 CCCCOCCOCCOCC(=O)N(C)CC 34a_100011215186_100000738999 [0,2,0,0,0,0|2,0,0]=4 10685 B17R0.3112 CCCCOCCOCCOCC(=O)N(C)CC 7a_100011215186_100000738999 [0,2,0,0,0,0|2,0,0]=4 10686 B17R0.3112 CCN(C)C(=O)CCCCCCCCCCCO 240690a_100000225621_100000037981 [0,2,0,0,0,0|0,0,0]=2 10687 B17R0.3112 CCN(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000738999 [0,2,0,0,0,0|1,0,0]=3 10688 B17R0.3112 CCN(C)C(=O)CNCCCCCCCCCO 34a_100000078944_100000738999 [0,2,0,0,0,0|1,0,0]=3 10689 B17R0.3112 CCN(C)C(=O)COCCCCCCCCCBr 34a_100009813782_100000738999 [0,2,0,0,0,0|1,0,0]=3 10690 B17R0.3112 CCN(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000738999 [0,2,0,0,0,0|1,0,0]=3 10691 B17R0.3112 CCN(C)C(=O)COCCCCCCCCCCl 34a_100009868337_100000738999 [0,2,0,0,0,0|1,0,0]=3 10692 B17R0.3112 CCN(C)C(=O)COCCCCCCCCCCl 7a_100009868337_100000738999 [0,2,0,0,0,0|1,0,0]=3 10693 B17R0.3112 CCN(C)C(=O)COCCCCCCCCCN 34a_100000078944_100000738999 [0,2,0,0,0,0|1,0,0]=3 10694 B17R0.3112 CCN(C)C(=O)CSCCCCCCCCCO 62a_100000738999_100009813782 [0,2,0,0,0,0|1,0,0]=3 10695 B17R0.3112 CCN(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000738999 [0,2,0,0,0,0|1,0,0]=3 10696 B17R0.3112 CCN(C)C(=O)NCCCCCCCCCCO 2708a_100000066964_100000225621 [0,2,0,0,0,0|1,0,0]=3 10697 B17R0.3112 CCN(C)C(=O)NCCCCCCCCCCO 273464a_100000066964_100000225621 [0,2,0,0,0,0|1,0,0]=3 10698 B17R0.3112 CNC(=O)C(=O)CCCCCCCCCCCO 1458a_100011218921_100009812471 [0,2,0,0,0,0|2,0,0]=4 10699 B17R0.3112 COC(C)C(=O)CCCCCCCCCCCO 1458a_100000743197_100009812471 [0,2,0,0,0,0|2,0,0]=4 10700 B17R0.3112 COCCCCCCOCCCC(=O)N(C)OC 7a_200012092642_100011842776 [0,2,0,0,0,0|2,0,0]=4 10701 B17R0.3112 COCCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100011998445 [0,2,0,0,0,0|2,0,0]=4 10702 B17R0.3112 COCCCCCCSCCCC(=O)N(C)OC 62a_100011998445_100011842776 [0,2,0,0,0,0|2,0,0]=4 10703 B17R0.3112 CON(C)C(=O)CCCOCCCCCCCBr 7a_100000760002_100011842776 [0,2,0,0,0,0|2,0,0]=4 10704 B17R0.3112 CON(C)C(=O)CCCSCCCCCCCO 62a_100000760002_100011842776 [0,2,0,0,0,0|2,0,0]=4 10705 B17R0.3112 CON(C)C(=O)CCCSCCCCCCCO 62a_100011842776_100000760002 [0,2,0,0,0,0|2,0,0]=4 10706 B17R0.3112 CON(C)C(=O)CNCCCCCCCCCO 2230a_100000078944_100000764215 [0,2,0,0,0,0|2,0,0]=4 10707 B17R0.3112 CON(C)C(=O)CNCCCCCCCCCO 2230a_100015207273_100009813782 [0,2,0,0,0,0|2,0,0]=4 10708 B17R0.3112 CON(C)C(=O)COCCCCCCCCCBr 7a_100009813782_100000764215 [0,2,0,0,0,0|2,0,0]=4 10709 B17R0.3112 CON(C)C(=O)COCCCCCCCCCCl 7a_100009868337_100000764215 [0,2,0,0,0,0|2,0,0]=4 10710 B17R0.3112 CON(C)C(=O)CSCCCCCCCCCO 62a_100000764215_100009813782 [0,2,0,0,0,0|2,0,0]=4 10711 B17R0.3112 CON(C)C(=O)CSCCCCCCCCCO 62a_100009813782_100000764215 [0,2,0,0,0,0|2,0,0]=4 10712 B17R0.3112 CSC(C)C(=O)CCCCCCCCCCCO 1458a_100000149566_100009812471 [0,2,0,0,0,0|2,0,0]=4 10713 B17R0.3112 O=C(CCCCCCCCCCCO)C(O)CO 1458a_100011215603_100009812471 [0,2,0,0,0,0|2,0,0]=4 10714 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011216125 [0,2,0,0,0,0|1,0,0]=3 10715 B17R0.10075 CCCCCCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011216125 [0,2,0,0,0,0|1,0,0]=3 10716 B17R0.10075 CCCCCCCCCCCNS(=O)(=O)CCC 270084a_200011215754_100000211391 [0,2,0,0,0,0|2,0,0]=4 10717 B17R0.10075 CCCCCCCCCCCNS(=O)(=O)CCC 274078a_200011215754_100000211391 [0,2,0,0,0,0|2,0,0]=4 10718 B17R0.10075 CCCCCCCCCCCNS(=O)(=O)CCC 40a_200011215754_100000054278 [0,2,0,0,0,0|2,0,0]=4 10719 B17R0.10075 CCCCCCCCCCOCC(C)(C)NCC 7a_100000747347_100000210320 [0,2,0,0,0,0|1,0,1]=4 10720 B17R0.13602 C#CCCCCCCCCOC(C)C(=O)NCC 34a_100000065265_100000230173 [0,2,0,0,0,0|0,0,2]=4 10721 B17R0.13602 C#CCCCCCCCCOC(C)C(=O)NCC 7a_100000065265_100000230173 [0,2,0,0,0,0|0,0,2]=4 10722 B17R0.13602 C#CCN(C)C(=O)CCCCCCCCCCC 11a_100000225692_100000210736 [0,2,0,0,0,0|0,0,1]=3 10723 B17R0.13602 C#CCN(C)C(=O)CCCCCCCCCCC 1626a_100000225692_100000210736 [0,2,0,0,0,0|0,0,1]=3 10724 B17R0.13602 C#CCN(C)C(=O)NCCCCCCCCCC 2708a_100000684558_100000225692 [0,2,0,0,0,0|1,0,1]=4 10725 B17R0.13602 C#CCN(C)C(=O)NCCCCCCCCCC 273464a_100000684558_100000225692 [0,2,0,0,0,0|1,0,1]=4 10726 B17R0.13602 C=C(CNCCCCCCCCC)C(=O)OCC 34a_100000212291_100000755967 [0,2,0,0,0,0|1,0,1]=4 10727 B17R0.13602 C=C(COCCCCCCCCC)C(=O)OCC 34a_100000210712_100000755967 [0,2,0,0,0,0|1,0,1]=4 10728 B17R0.13602 C=C(COCCCCCCCCC)C(=O)OCC 7a_100000210712_100000755967 [0,2,0,0,0,0|1,0,1]=4 10729 B17R0.13602 C=C(CSCCCCCCCCC)C(=O)OCC 62a_100000755967_100000210670 [0,2,0,0,0,0|1,0,1]=4 10730 B17R0.13602 C=CCC(C)C(=O)CCCCCCCCCCC 1458a_100011216819_100011215454 [0,2,0,0,0,0|1,0,1]=4 10731 B17R0.13602 C=CCCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100009814027 [0,2,0,0,0,0|0,0,2]=4 10732 B17R0.13602 C=CCCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100011933949 [0,2,0,0,0,0|0,0,2]=4 10733 B17R0.13602 C=CCCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100011933949 [0,2,0,0,0,0|0,0,2]=4 10734 B17R0.13602 C=CCCCCCCCCOC(C)C(=O)NCC 34a_100011215194_100000230173 [0,2,0,0,0,0|0,0,2]=4 10735 B17R0.13602 C=CCCCCCCCCOC(C)C(=O)NCC 7a_100011215194_100000230173 [0,2,0,0,0,0|0,0,2]=4 10736 B17R0.13602 C=CCCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100011933949 [0,2,0,0,0,0|0,0,2]=4 10737 B17R0.13602 C=CCCCCCCCCSC(C)C(=O)NCC 62a_100011933949_100000230173 [0,2,0,0,0,0|0,0,2]=4 10738 B17R0.13602 C=CCN(C)C(=O)CCCCCCCCCCC 11a_100000225617_100000210736 [0,2,0,0,0,0|0,0,1]=3 10739 B17R0.13602 C=CCN(C)C(=O)CCCCCCCCCCC 1626a_100000225617_100000210736 [0,2,0,0,0,0|0,0,1]=3 10740 B17R0.13602 C=CCN(C)C(=O)CCCCCCCCCCC 240690a_100000225617_100000210736 [0,2,0,0,0,0|0,0,1]=3 10741 B17R0.13602 C=CCN(C)C(=O)CCCCCCCCCCO 240690a_100000225617_200000016029 [0,2,0,0,0,0|1,0,1]=4 10742 B17R0.13602 C=CCN(C)C(=O)NCCCCCCCCCC 2708a_100000684558_100000225617 [0,2,0,0,0,0|1,0,1]=4 10743 B17R0.13602 C=CCN(C)C(=O)NCCCCCCCCCC 273464a_100000684558_100000225617 [0,2,0,0,0,0|1,0,1]=4 10744 B17R0.13602 CC/C=C(\C)/C(=O)CCCCCCCCCCC 1458a_100016988807_100011215454 [0,2,0,0,0,0|1,0,0]=3 10745 B17R0.13602 CC/C=C(\C)/C(=O)CCCCCCCCCCO 1458a_100016988807_100009813290 [0,2,0,0,0,0|2,0,0]=4 10746 B17R0.13602 CC/C=C(\C)/C(=O)NCCCCCCCCCC 11a_100000684558_100016988807 [0,2,0,0,0,0|2,0,0]=4 10747 B17R0.13602 CC/C=C(\C)/C(=O)NCCCCCCCCCC 1626a_100000684558_100016988807 [0,2,0,0,0,0|2,0,0]=4 10748 B17R0.13602 CC/C=C(\C)/C(=O)NCCCCCCCCCC 240690a_100000684558_100016988807 [0,2,0,0,0,0|2,0,0]=4 10749 B17R0.13602 CC/C=C(\C)/C(=O)NCCCCCCCCCC 527a_100000684558_100016988807 [0,2,0,0,0,0|2,0,0]=4 10750 B17R0.13602 CCC#CCCCCCCNC(C)C(=O)NCC 2230a_100000736553_200000036426 [0,2,0,0,0,0|0,0,2]=4 10751 B17R0.13602 CCC#CCCCCCCNC(C)C(=O)NCC 34a_100000736553_200000036426 [0,2,0,0,0,0|0,0,2]=4 10752 B17R0.13602 CCC#CCCCCCCSC(C)C(=O)NCC 62a_100000230173_200000036426 [0,2,0,0,0,0|0,0,2]=4 10753 B17R0.13602 CCC#CCCCCCCSC(C)C(=O)NCC 62a_200000036426_100000230173 [0,2,0,0,0,0|0,0,2]=4 10754 B17R0.13602 CCCC(C)C(=O)CCCCCCCCCCO 1458a_100000210906_100009813290 [0,2,0,0,0,0|2,0,0]=4 10755 B17R0.13602 CCCC/C=C/CCCCOC(C)C(=O)NCC 34a_200020645093_100000230173 [0,2,0,0,0,0|0,0,2]=4 10756 B17R0.13602 CCCC/C=C/CCCCOC(C)C(=O)NCC 7a_200020645093_100000230173 [0,2,0,0,0,0|0,0,2]=4 10757 B17R0.13602 CCCCC#CCCCCOC(C)C(=O)NCC 34a_200000066234_100000230173 [0,2,0,0,0,0|0,0,2]=4 10758 B17R0.13602 CCCCC#CCCCCOC(C)C(=O)NCC 7a_200000066234_100000230173 [0,2,0,0,0,0|0,0,2]=4 10759 B17R0.13602 CCCCC/C=C\CCCOC(C)C(=O)NCC 34a_100020655193_100000230173 [0,2,0,0,0,0|0,0,2]=4 10760 B17R0.13602 CCCCC/C=C\CCCOC(C)C(=O)NCC 7a_100020655193_100000230173 [0,2,0,0,0,0|0,0,2]=4 10761 B17R0.13602 CCCCCCC#CCCOC(C)C(=O)NCC 34a_200000033163_100000230173 [0,2,0,0,0,0|0,0,2]=4 10762 B17R0.13602 CCCCCCC#CCCOC(C)C(=O)NCC 7a_200000033163_100000230173 [0,2,0,0,0,0|0,0,2]=4 10763 B17R0.13602 CCCCCCCC#CCOC(C)C(=O)NCC 34a_200000061759_100000230173 [0,2,0,0,0,0|0,0,2]=4 10764 B17R0.13602 CCCCCCCC#CCOC(C)C(=O)NCC 7a_200000061759_100000230173 [0,2,0,0,0,0|0,0,2]=4 10765 B17R0.13602 CCCCCCCCCC=CC(=O)N(C)CCC 11a_100000747261_200015352897 [0,2,0,0,0,0|0,0,2]=4 10766 B17R0.13602 CCCCCCCCCC=CC(=O)N(C)CCC 1626a_100000747261_200015352897 [0,2,0,0,0,0|0,0,2]=4 10767 B17R0.13602 CCCCCCCCCC=CC(=O)N(C)CCC 240690a_100000747261_200015352897 [0,2,0,0,0,0|0,0,2]=4 10768 B17R0.13602 CCCCCCCCCC=CC(=O)N(C)CCO 240690a_100000210263_200015352897 [0,2,0,0,0,0|0,0,2]=4 10769 B17R0.13602 CCCCCCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100011215454 [0,2,0,0,0,0|1,0,1]=4 10770 B17R0.13602 CCCCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100011215454 [0,2,0,0,0,0|0,0,0]=2 10771 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CC#N 1458a_100000210736_100009813641 [0,2,0,0,0,0|1,0,1]=4 10772 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CCC 1458a_100000210736_100000766640 [0,2,0,0,0,0|1,0,0]=3 10773 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100011215454 [0,2,0,0,0,0|1,0,0]=3 10774 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CCO 1458a_100000210736_100009893172 [0,2,0,0,0,0|1,0,0]=3 10775 B17R0.13602 CCCCCCCCCCCC(=O)C(C)COC 1458a_100000210736_100000765312 [0,2,0,0,0,0|1,0,0]=3 10776 B17R0.13602 CCCCCCCCCCCC(=O)C(C)COC 1458a_100000751857_100011215454 [0,2,0,0,0,0|1,0,0]=3 10777 B17R0.13602 CCCCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100011215454 [0,2,0,0,0,0|1,0,0]=3 10778 B17R0.13602 CCCCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100011215454 [0,2,0,0,0,0|1,0,0]=3 10779 B17R0.13602 CCCCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100011215454 [0,2,0,0,0,0|1,0,0]=3 10780 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CC#N 11a_100000748184_100000210736 [0,2,0,0,0,0|0,0,1]=3 10781 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CC#N 1626a_100000748184_100000210736 [0,2,0,0,0,0|0,0,1]=3 10782 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210736 [0,2,0,0,0,0|0,0,0]=2 10783 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210736 [0,2,0,0,0,0|0,0,0]=2 10784 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210736 [0,2,0,0,0,0|0,0,0]=2 10785 B17R0.13602 CCCCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000210736 [0,2,0,0,0,0|0,0,0]=2 10786 B17R0.13602 CCCCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215454 [0,2,0,0,0,0|1,0,0]=3 10787 B17R0.13602 CCCCCCCCCCCC(C)N(C)CCC 270004a_100000747261_100011216755 [0,2,0,0,0,0|1,0,1]=4 10788 B17R0.13602 CCCCCCCCCCCC(C)N(C)CCO 270004a_100000210263_100011216755 [0,2,0,0,0,0|1,0,1]=4 10789 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)NCC 1626a_100000684558_200011297158 [0,2,0,0,0,0|0,0,1]=3 10790 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)NCC 240690a_100000684558_200011297158 [0,2,0,0,0,0|0,0,1]=3 10791 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)NCC 527a_100000684558_200011297158 [0,2,0,0,0,0|0,0,1]=3 10792 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC 11a_100000684558_100014798877 [0,2,0,0,0,0|1,0,1]=4 10793 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC 1626a_100000684558_100014798877 [0,2,0,0,0,0|1,0,1]=4 10794 B17R0.13602 CCCCCCCCCCNC(=O)C(=O)OCC 240690a_100000684558_100014798877 [0,2,0,0,0,0|1,0,1]=4 10795 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 11a_100000684558_100000210906 [0,2,0,0,0,0|2,0,0]=4 10796 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 1626a_100000684558_100000210906 [0,2,0,0,0,0|2,0,0]=4 10797 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 240690a_100000684558_100000210906 [0,2,0,0,0,0|2,0,0]=4 10798 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CCC 527a_100000684558_100000210906 [0,2,0,0,0,0|2,0,0]=4 10799 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 11a_100000684558_100000751857 [0,2,0,0,0,0|2,0,0]=4 10800 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 1626a_100000684558_100000751857 [0,2,0,0,0,0|2,0,0]=4 10801 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 240690a_100000684558_100000751857 [0,2,0,0,0,0|2,0,0]=4 10802 B17R0.13602 CCCCCCCCCCNC(=O)C(C)COC 527a_100000684558_100000751857 [0,2,0,0,0,0|2,0,0]=4 10803 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 11a_100000684558_100000753918 [0,2,0,0,0,0|2,0,0]=4 10804 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 1626a_100000684558_100000753918 [0,2,0,0,0,0|2,0,0]=4 10805 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 240690a_100000684558_100000753918 [0,2,0,0,0,0|2,0,0]=4 10806 B17R0.13602 CCCCCCCCCCNC(=O)C(C)CSC 527a_100000684558_100000753918 [0,2,0,0,0,0|2,0,0]=4 10807 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 11a_100000684558_100000739345 [0,2,0,0,0,0|2,0,0]=4 10808 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 1626a_100000684558_100000739345 [0,2,0,0,0,0|2,0,0]=4 10809 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 240690a_100000684558_100000739345 [0,2,0,0,0,0|2,0,0]=4 10810 B17R0.13602 CCCCCCCCCCNC(=O)C(C)OCC 527a_100000684558_100000739345 [0,2,0,0,0,0|2,0,0]=4 10811 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 11a_100000684558_100000230601 [0,2,0,0,0,0|2,0,0]=4 10812 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 1626a_100000684558_100000230601 [0,2,0,0,0,0|2,0,0]=4 10813 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 240690a_100000684558_100000230601 [0,2,0,0,0,0|2,0,0]=4 10814 B17R0.13602 CCCCCCCCCCNC(=O)C(C)SCC 527a_100000684558_100000230601 [0,2,0,0,0,0|2,0,0]=4 10815 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CC#N 273464a_100000684558_100000748184 [0,2,0,0,0,0|1,0,1]=4 10816 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CCC 2708a_100000684558_100000747261 [0,2,0,0,0,0|1,0,0]=3 10817 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CCC 273464a_100000684558_100000747261 [0,2,0,0,0,0|1,0,0]=3 10818 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CCO 2708a_100000684558_100000210263 [0,2,0,0,0,0|1,0,0]=3 10819 B17R0.13602 CCCCCCCCCCNC(=O)N(C)CCO 273464a_100000684558_100000210263 [0,2,0,0,0,0|1,0,0]=3 10820 B17R0.13602 CCCCCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000684558_100009822183 [0,2,0,0,0,0|2,0,0]=4 10821 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 2230a_100000684558_100000230173 [0,2,0,0,0,0|0,0,0]=2 10822 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210320 [0,2,0,0,0,0|0,0,0]=2 10823 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 34a_100000684558_100000230173 [0,2,0,0,0,0|0,0,0]=2 10824 B17R0.13602 CCCCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210320 [0,2,0,0,0,0|0,0,0]=2 10825 B17R0.13602 CCCCCCCCCCNC(C)C(=O)OCC 2230a_100000684558_100011215307 [0,2,0,0,0,0|1,0,0]=3 10826 B17R0.13602 CCCCCCCCCCNC(C)C(=O)OCC 34a_100000684558_100011216346 [0,2,0,0,0,0|1,0,0]=3 10827 B17R0.13602 CCCCCCCCCCNC(F)C(=O)OCC 2230a_100000684558_100000760018 [0,2,0,0,0,0|1,0,0]=3 10828 B17R0.13602 CCCCCCCCCCNC(F)C(=O)OCC 34a_100000684558_100000760018 [0,2,0,0,0,0|1,0,0]=3 10829 B17R0.13602 CCCCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210320 [0,2,0,0,0,0|1,0,0]=3 10830 B17R0.13602 CCCCCCCCCCOC(C)C(=O)NCC 34a_100000210711_100000230173 [0,2,0,0,0,0|0,0,0]=2 10831 B17R0.13602 CCCCCCCCCCOC(C)C(=O)NCC 7a_100000210711_100000230173 [0,2,0,0,0,0|0,0,0]=2 10832 B17R0.13602 CCCCCCCCCCOC(C)C(=O)OCC 34a_100000210711_100011216346 [0,2,0,0,0,0|1,0,0]=3 10833 B17R0.13602 CCCCCCCCCCOC(C)C(=O)OCC 7a_100000210711_100011216346 [0,2,0,0,0,0|1,0,0]=3 10834 B17R0.13602 CCCCCCCCCCOC(F)C(=O)OCC 34a_100000210711_100000760018 [0,2,0,0,0,0|1,0,0]=3 10835 B17R0.13602 CCCCCCCCCCOC(F)C(=O)OCC 7a_100000210711_100000040065 [0,2,0,0,0,0|1,0,0]=3 10836 B17R0.13602 CCCCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210320 [0,2,0,0,0,0|1,0,0]=3 10837 B17R0.13602 CCCCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210320 [0,2,0,0,0,0|0,0,0]=2 10838 B17R0.13602 CCCCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210320 [0,2,0,0,0,0|1,0,0]=3 10839 B17R0.13602 CCCCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210320 [0,2,0,0,0,0|1,0,0]=3 10840 B17R0.13602 CCCCCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210670 [0,2,0,0,0,0|1,0,1]=4 10841 B17R0.13602 CCCCCNCCCCCC(=O)C(=O)OCC 2230a_100000209983_100000068741 [0,2,0,0,0,0|1,0,1]=4 10842 B17R0.13602 CCCCCSCCCCCC(=O)C(=O)OCC 62a_100000210326_100000068741 [0,2,0,0,0,0|1,0,1]=4 10843 B17R0.13602 CCCCOCCOCCOC(C)C(=O)NCC 34a_100011215186_100000230173 [0,2,0,0,0,0|2,0,0]=4 10844 B17R0.13602 CCCCOCCOCCOC(C)C(=O)NCC 7a_100011215186_100000230173 [0,2,0,0,0,0|2,0,0]=4 10845 B17R0.13602 CCCN(C)C(=O)CCCCCCCCCCO 240690a_100000747261_200000016029 [0,2,0,0,0,0|1,0,0]=3 10846 B17R0.13602 CCCN(C)C(=O)NCCCCCCCCCO 2708a_100000078944_100000747261 [0,2,0,0,0,0|2,0,0]=4 10847 B17R0.13602 CCCN(C)C(=O)NCCCCCCCCCO 273464a_100000078944_100000747261 [0,2,0,0,0,0|2,0,0]=4 10848 B17R0.13602 CCC[C@H](O)C(=O)CCCCCCCCCCO 1458a_100009822183_100009813290 [0,2,0,0,0,0|2,0,0]=4 10849 B17R0.13602 CCNC(=O)C(=O)CCCCCCCCCCO 1458a_200011297158_100009813290 [0,2,0,0,0,0|0,0,1]=3 10850 B17R0.13602 CCNC(=O)C(=O)NCCCCCCCCCO 240690a_100000078944_200011297158 [0,2,0,0,0,0|1,0,1]=4 10851 B17R0.13602 CCNC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100000230173 [0,2,0,0,0,0|1,0,0]=3 10852 B17R0.13602 CCNC(=O)C(C)NCCCCCCCCCO 2230a_100000736553_100009813782 [0,2,0,0,0,0|1,0,0]=3 10853 B17R0.13602 CCNC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100000230173 [0,2,0,0,0,0|1,0,0]=3 10854 B17R0.13602 CCNC(=O)C(C)NCCCCCCCCCO 34a_100000736553_100009813782 [0,2,0,0,0,0|1,0,0]=3 10855 B17R0.13602 CCNC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100000230173 [0,2,0,0,0,0|1,0,0]=3 10856 B17R0.13602 CCNC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100000230173 [0,2,0,0,0,0|1,0,0]=3 10857 B17R0.13602 CCNC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100000230173 [0,2,0,0,0,0|1,0,0]=3 10858 B17R0.13602 CCNC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100000230173 [0,2,0,0,0,0|1,0,0]=3 10859 B17R0.13602 CCNC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100000230173 [0,2,0,0,0,0|1,0,0]=3 10860 B17R0.13602 CCNC(=O)C(C)SCCCCCCCCCO 62a_100000230173_100009813782 [0,2,0,0,0,0|1,0,0]=3 10861 B17R0.13602 CCNC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100000230173 [0,2,0,0,0,0|1,0,0]=3 10862 B17R0.13602 CCOC(=O)C(C)NCCCCCCCCCO 2230a_100000078944_100011215307 [0,2,0,0,0,0|2,0,0]=4 10863 B17R0.13602 CCOC(=O)C(C)NCCCCCCCCCO 34a_100000078944_100011216346 [0,2,0,0,0,0|2,0,0]=4 10864 B17R0.13602 CCOC(=O)C(C)OCCCCCCCCCBr 34a_100009813782_100011216346 [0,2,0,0,0,0|2,0,0]=4 10865 B17R0.13602 CCOC(=O)C(C)OCCCCCCCCCBr 7a_100009813782_100011216346 [0,2,0,0,0,0|2,0,0]=4 10866 B17R0.13602 CCOC(=O)C(C)OCCCCCCCCCCl 34a_100009868337_100011216346 [0,2,0,0,0,0|2,0,0]=4 10867 B17R0.13602 CCOC(=O)C(C)OCCCCCCCCCCl 7a_100009868337_100011216346 [0,2,0,0,0,0|2,0,0]=4 10868 B17R0.13602 CCOC(=O)C(C)OCCCCCCCCCN 34a_100000078944_100011216346 [0,2,0,0,0,0|2,0,0]=4 10869 B17R0.13602 CCOC(=O)C(C)SCCCCCCCCCO 62a_100009813782_100011216346 [0,2,0,0,0,0|2,0,0]=4 10870 B17R0.13602 CCOC(=O)C(C)SCCCCCCCCCO 62a_100011216346_100009813782 [0,2,0,0,0,0|2,0,0]=4 10871 B17R0.13602 CCOC(=O)C(F)NCCCCCCCCCO 2230a_100000078944_100000760018 [0,2,0,0,0,0|2,0,0]=4 10872 B17R0.13602 CCOC(=O)C(F)NCCCCCCCCCO 34a_100000078944_100000760018 [0,2,0,0,0,0|2,0,0]=4 10873 B17R0.13602 CCOC(=O)C(F)OCCCCCCCCCBr 34a_100009813782_100000760018 [0,2,0,0,0,0|2,0,0]=4 10874 B17R0.13602 CCOC(=O)C(F)OCCCCCCCCCBr 7a_100009813782_100000040065 [0,2,0,0,0,0|2,0,0]=4 10875 B17R0.13602 CCOC(=O)C(F)OCCCCCCCCCCl 34a_100009868337_100000760018 [0,2,0,0,0,0|2,0,0]=4 10876 B17R0.13602 CCOC(=O)C(F)OCCCCCCCCCCl 7a_100009868337_100000040065 [0,2,0,0,0,0|2,0,0]=4 10877 B17R0.13602 CCOC(=O)C(F)OCCCCCCCCCN 34a_100000078944_100000760018 [0,2,0,0,0,0|2,0,0]=4 10878 B17R0.13602 CCOC(=O)C(F)SCCCCCCCCCO 62a_100000760018_100009813782 [0,2,0,0,0,0|2,0,0]=4 10879 B17R0.13602 CCOC(=O)C(F)SCCCCCCCCCO 62a_100009813782_100000760018 [0,2,0,0,0,0|2,0,0]=4 10880 B17R0.13602 CCOC(=O)[C@H](C)OCCCCCCCCCO 7a_100000751109_100009813782 [0,2,0,0,0,0|2,0,0]=4 10881 B17R0.13602 CCOC(C)C(=O)CCCCCCCCCCO 1458a_100000739345_100009813290 [0,2,0,0,0,0|2,0,0]=4 10882 B17R0.13602 CCSC(=O)[C@H](C)NCCCCCCCCCO 2230a_100103168634_100009813782 [0,2,0,0,0,0|2,0,0]=4 10883 B17R0.13602 CCSC(C)C(=O)CCCCCCCCCCO 1458a_100000230601_100009813290 [0,2,0,0,0,0|2,0,0]=4 10884 B17R0.13602 CN(CCO)C(=O)CCCCCCCCCCO 240690a_100000210263_200000016029 [0,2,0,0,0,0|1,0,0]=3 10885 B17R0.13602 CN(CCO)C(=O)NCCCCCCCCCO 2708a_100000078944_100000210263 [0,2,0,0,0,0|2,0,0]=4 10886 B17R0.13602 CN(CCO)C(=O)NCCCCCCCCCO 273464a_100000078944_100000210263 [0,2,0,0,0,0|2,0,0]=4 10887 B17R0.13602 COCC(C)C(=O)CCCCCCCCCCO 1458a_100000751857_100009813290 [0,2,0,0,0,0|2,0,0]=4 10888 B17R0.13602 CSCC(C)C(=O)CCCCCCCCCCO 1458a_100000753918_100009813290 [0,2,0,0,0,0|2,0,0]=4 10889 B17R0.14267 C#CCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100153394163 [0,2,0,0,0,0|0,0,2]=4 10890 B17R0.14267 C=CCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100012355270 [0,2,0,0,0,0|0,0,2]=4 10891 B17R0.14267 CCCCC#CCCCC(=O)CCC(=O)NCC 1458a_100000199579_200000047210 [0,2,0,0,0,0|0,0,2]=4 10892 B17R0.14267 CCCCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210670 [0,2,0,0,0,0|0,0,0]=2 10893 B17R0.14267 CCCCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210670 [0,2,0,0,0,0|1,0,0]=3 10894 B17R0.14267 CCCCCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210670 [0,2,0,0,0,0|1,0,1]=4 10895 B17R0.14267 CCCCCCCCCC(=O)COC(=O)CCC 1458a_100000210558_100000034017 [0,2,0,0,0,0|1,0,1]=4 10896 B17R0.14267 CCCCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210558 [0,2,0,0,0,0|0,0,1]=3 10897 B17R0.14267 CCCCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210558 [0,2,0,0,0,0|0,0,1]=3 10898 B17R0.14267 CCCCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210558 [0,2,0,0,0,0|0,0,1]=3 10899 B17R0.14267 CCCCCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210558 [0,2,0,0,0,0|0,0,1]=3 10900 B17R0.14267 CCCCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210558 [0,2,0,0,0,0|1,0,1]=4 10901 B17R0.14267 CCCCCCCCCC(=O)NNC(=O)NCC 273464a_100015525214_100011221126 [0,2,0,0,0,0|1,0,1]=4 10902 B17R0.14267 CCCCCCCCCC(=O)NNC(=O)NCC 512a_100011221126_100015525214 [0,2,0,0,0,0|1,0,1]=4 10903 B17R0.14267 CCCCCCCCCC(=O)NNC(=O)NCC 512a_100015525214_100011221126 [0,2,0,0,0,0|1,0,1]=4 10904 B17R0.14267 CCCCCCCCCC(=O)OCC(=O)CCC 1458a_100000211992_200010990708 [0,2,0,0,0,0|1,0,1]=4 10905 B17R0.14267 CCCCCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100011215753 [0,2,0,0,0,0|0,0,0]=2 10906 B17R0.14267 CCCCCCCCCC(C)OCC(=O)CCC 7a_100011218016_100000747444 [0,2,0,0,0,0|1,0,0]=3 10907 B17R0.14267 CCCCCCCCCC(C)OCC(=O)NCC 34a_100011218016_100000183381 [0,2,0,0,0,0|0,0,0]=2 10908 B17R0.14267 CCCCCCCCCC(C)OCC(=O)NCC 7a_100011218016_100000183381 [0,2,0,0,0,0|0,0,0]=2 10909 B17R0.14267 CCCCCCCCCC(C)OCC(=O)NCO 34a_100011218016_100000185155 [0,2,0,0,0,0|1,0,0]=3 10910 B17R0.14267 CCCCCCCCCC(C)OCC(=O)NCO 7a_100011218016_100000185155 [0,2,0,0,0,0|1,0,0]=3 10911 B17R0.14267 CCCCCCCCCC(C)OCC(=O)OCC 34a_100011218016_100000188475 [0,2,0,0,0,0|1,0,0]=3 10912 B17R0.14267 CCCCCCCCCC(C)OCC(=O)OCC 7a_100011218016_100000188475 [0,2,0,0,0,0|1,0,0]=3 10913 B17R0.14267 CCCCCCCCCN(C)CCC(=O)NCC 2230a_100000232482_100000737597 [0,2,0,0,0,0|0,0,0]=2 10914 B17R0.14267 CCCCCCCCCN(C)CCC(=O)NCC 269982a_100000232482_100000737597 [0,2,0,0,0,0|0,0,0]=2 10915 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 2230a_100000232482_100011206558 [0,2,0,0,0,0|1,0,0]=3 10916 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100011214924 [0,2,0,0,0,0|1,0,0]=3 10917 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 269982a_100000232482_100011206558 [0,2,0,0,0,0|1,0,0]=3 10918 B17R0.14267 CCCCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210670 [0,2,0,0,0,0|1,0,0]=3 10919 B17R0.14267 CCCCCCCCCN(C)COC(=O)CCC 2230a_100000232482_100000034017 [0,2,0,0,0,0|2,0,0]=4 10920 B17R0.14267 CCCCCCCCCN(C)COC(=O)CCC 269982a_100000232482_100000034017 [0,2,0,0,0,0|2,0,0]=4 10921 B17R0.14267 CCCCCCCCNC(=O)CCC(=O)NCC 11a_100000229939_100000199579 [0,2,0,0,0,0|0,0,1]=3 10922 B17R0.14267 CCCCCCCCNC(=O)CCC(=O)NCC 1626a_100000229939_100000199579 [0,2,0,0,0,0|0,0,1]=3 10923 B17R0.14267 CCCCCCCCNC(=O)CCC(=O)NCC 240690a_100000229939_100000199579 [0,2,0,0,0,0|0,0,1]=3 10924 B17R0.14267 CCCCCCCCNC(=O)CCC(=O)OCC 11a_100000229939_100000183558 [0,2,0,0,0,0|1,0,1]=4 10925 B17R0.14267 CCCCCCCCNC(=O)CCC(=O)OCC 1626a_100000229939_100000183558 [0,2,0,0,0,0|1,0,1]=4 10926 B17R0.14267 CCCCCCCCNC(=O)CCC(=O)OCC 240690a_100000229939_100000183558 [0,2,0,0,0,0|1,0,1]=4 10927 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)NCC 2708a_100000229939_100016988866 [0,2,0,0,0,0|1,0,1]=4 10928 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)NCC 2708a_100016988866_100000229939 [0,2,0,0,0,0|1,0,1]=4 10929 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)NCC 273464a_100000229939_100016988866 [0,2,0,0,0,0|1,0,1]=4 10930 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)NCC 273464a_100016988866_100000229939 [0,2,0,0,0,0|1,0,1]=4 10931 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)NCC 512a_100000229939_100016988866 [0,2,0,0,0,0|1,0,1]=4 10932 B17R0.14267 CCCCCCCCNC(=O)NCC(=O)NCC 512a_100016988866_100000229939 [0,2,0,0,0,0|1,0,1]=4 10933 B17R0.14267 CCCCCCCCNC(C)CCC(=O)OCC 2230a_100000229939_100000748298 [0,2,0,0,0,0|1,0,0]=3 10934 B17R0.14267 CCCCCCCCNC(C)CCC(=O)OCC 34a_100000229939_100000748298 [0,2,0,0,0,0|1,0,0]=3 10935 B17R0.14267 CCCCCCCCOC(C)CCC(=O)OCC 34a_100000210232_100000748298 [0,2,0,0,0,0|1,0,0]=3 10936 B17R0.14267 CCCCCCCCOC(C)CCC(=O)OCC 7a_100000210232_100000748298 [0,2,0,0,0,0|1,0,0]=3 10937 B17R0.14267 CCCCCCCCSC(C)CCC(=O)OCC 62a_100000210759_100000748298 [0,2,0,0,0,0|1,0,0]=3 10938 B17R0.14267 CCCCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210317 [0,2,0,0,0,0|1,0,0]=3 10939 B17R0.14267 CCCCCNCCOC(C)CCC(=O)OCC 34a_100000224656_100000748298 [0,2,0,0,0,0|2,0,0]=4 10940 B17R0.14267 CCCCCOCCOC(C)CCC(=O)OCC 34a_100011215259_100000748298 [0,2,0,0,0,0|2,0,0]=4 10941 B17R0.14267 CCCCCOCCOC(C)CCC(=O)OCC 7a_100011215259_100000748298 [0,2,0,0,0,0|2,0,0]=4 10942 B17R0.14267 CCCCOCCCNC(=O)CCC(=O)NCC 1626a_200000211371_100000199579 [0,2,0,0,0,0|1,0,1]=4 10943 B17R0.14267 CCCCOCCCNC(=O)CCC(=O)NCC 240690a_200000211371_100000199579 [0,2,0,0,0,0|1,0,1]=4 10944 B17R0.14267 CCCCOCCCNC(C)CCC(=O)OCC 2230a_200000211371_100000748298 [0,2,0,0,0,0|2,0,0]=4 10945 B17R0.14267 CCCCOCCCNC(C)CCC(=O)OCC 34a_200000211371_100000748298 [0,2,0,0,0,0|2,0,0]=4 10946 B17R0.14267 CCCCOCCCOC(C)CCC(=O)OCC 34a_200011215613_100000748298 [0,2,0,0,0,0|2,0,0]=4 10947 B17R0.14267 CCCCOCCCOC(C)CCC(=O)OCC 7a_200011215613_100000748298 [0,2,0,0,0,0|2,0,0]=4 10948 B17R0.14267 CCNC(=O)CCC(=O)CCCCCCCCO 1458a_100000199579_100000033203 [0,2,0,0,0,0|0,0,1]=3 10949 B17R0.14267 CCNC(=O)CCC(=O)NCCCCCCCO 240690a_100011996573_100000199579 [0,2,0,0,0,0|1,0,1]=4 10950 B17R0.14267 CCNC(=O)CNC(=O)CCCCCCCCO 240690a_100016988866_100000015970 [0,2,0,0,0,0|1,0,1]=4 10951 B17R0.14267 CCOC(=O)CCC(=O)CCCCCCCCO 1458a_100000183558_100000033203 [0,2,0,0,0,0|1,0,1]=4 10952 B17R0.14267 CCOC(=O)CCC(C)NCCCCCCCO 2230a_100011996573_100000748298 [0,2,0,0,0,0|2,0,0]=4 10953 B17R0.14267 CCOC(=O)CCC(C)NCCCCCCCO 34a_100011996573_100000748298 [0,2,0,0,0,0|2,0,0]=4 10954 B17R0.14267 CCOC(=O)CCC(C)OCCCCCCCBr 34a_100000760002_100000748298 [0,2,0,0,0,0|2,0,0]=4 10955 B17R0.14267 CCOC(=O)CCC(C)OCCCCCCCBr 7a_100000760002_100000748298 [0,2,0,0,0,0|2,0,0]=4 10956 B17R0.14267 CCOC(=O)CCC(C)OCCCCCCCN 34a_100011996573_100000748298 [0,2,0,0,0,0|2,0,0]=4 10957 B17R0.14267 CCOC(=O)CCC(C)OCCCCCCOC 34a_200012092642_100000748298 [0,2,0,0,0,0|2,0,0]=4 10958 B17R0.14267 CCOC(=O)CCC(C)OCCCCCCOC 7a_200012092642_100000748298 [0,2,0,0,0,0|2,0,0]=4 10959 B17R0.14267 CCOC(=O)CCC(C)SCCCCCCCO 62a_100000748298_100000760002 [0,2,0,0,0,0|2,0,0]=4 10960 B17R0.14267 CCOC(=O)CCC(C)SCCCCCCCO 62a_100000760002_100000748298 [0,2,0,0,0,0|2,0,0]=4 10961 B17R0.14267 CCOC(=O)CCC(C)SCCCCCCOC 62a_100000748298_100011998445 [0,2,0,0,0,0|2,0,0]=4 10962 B17R0.14267 CCOC(=O)CCC(C)SCCCCCCOC 62a_100011998445_100000748298 [0,2,0,0,0,0|2,0,0]=4 10963 B17R0.14267 CCOC(=O)CCN(C)CCCCCCCCO 2230a_100000745921_100000033203 [0,2,0,0,0,0|2,0,0]=4 10964 B17R0.14267 CCOC(=O)CCN(C)CCCCCCCCO 269982a_100000745921_100000033203 [0,2,0,0,0,0|2,0,0]=4 10965 B17R0.4 CCCCC(C)CCCCOCC(=O)N(C)CC 34a_200011021034_100000738999 [0,2,0,0,0,0|1,0,0]=3 10966 B17R0.4 CCCCC(C)CCCCOCC(=O)N(C)CC 7a_200011021034_100000738999 [0,2,0,0,0,0|1,0,0]=3 10967 B17R0.4 CCCCC(C)CCCCOCC(=O)N(C)OC 7a_200011021034_100000764215 [0,2,0,0,0,0|2,0,0]=4 10968 B17R0.100 CCCCCCCCC(C)NCC(=O)N(C)OC 270004a_100015207273_100011216694 [0,2,0,0,0,0|2,0,0]=4 10969 B17R0.100 CCCCCCCCC(C)OCC(=O)N(C)CC 34a_100000210740_100000738999 [0,2,0,0,0,0|1,0,0]=3 10970 B17R0.100 CCCCCCCCC(C)OCC(=O)N(C)CC 7a_100000210740_100000738999 [0,2,0,0,0,0|1,0,0]=3 10971 B17R0.100 CCCCCCCCC(C)OCC(=O)N(C)OC 7a_100000210740_100000764215 [0,2,0,0,0,0|2,0,0]=4 10972 B17R0.126 CCN(C)C(=O)CCCCCCCCC(=O)OC 11a_100000225621_100000036616 [0,2,0,0,0,0|1,0,1]=4 10973 B17R0.126 CCN(C)C(=O)CCCCCCCCC(=O)OC 1626a_100000225621_100000036616 [0,2,0,0,0,0|1,0,1]=4 10974 B17R0.126 CCN(C)C(=O)CCCCCCCCC(=O)OC 240690a_100000225621_100000036616 [0,2,0,0,0,0|1,0,1]=4 10975 B17R0.152 CCCCCCC(C)CCOCC(=O)N(C)CC 34a_200011024964_100000738999 [0,2,0,0,0,0|1,0,0]=3 10976 B17R0.152 CCCCCCC(C)CCOCC(=O)N(C)CC 7a_200011024964_100000738999 [0,2,0,0,0,0|1,0,0]=3 10977 B17R0.152 CCCCCCC(C)CCOCC(=O)N(C)OC 7a_200011024964_100000764215 [0,2,0,0,0,0|2,0,0]=4 10978 B17R0.152 CCCCCCC(C)OCCCC(=O)N(C)OC 7a_100000210265_100011842776 [0,2,0,0,0,0|2,0,0]=4 10979 B17R0.152 CCCCCCC(C)SCCCC(=O)N(C)OC 62a_100011215978_100011842776 [0,2,0,0,0,0|2,0,0]=4 10980 B17R0.152 CCCCCCC(C)SCCCC(=O)N(C)OC 62a_100011842776_100011215978 [0,2,0,0,0,0|2,0,0]=4 10981 B17R0.191 CC(C)C(C)C(=O)CCCCCCCCCCO 1458a_100000755409_100009813290 [0,2,0,0,0,0|2,0,0]=4 10982 B17R0.191 CC(C)N(C)C(=O)CCCCCCCCCCO 240690a_200000211004_200000016029 [0,2,0,0,0,0|1,0,0]=3 10983 B17R0.191 CC(C)N(C)C(=O)CNCCCCCCCCO 2230a_102515433106_100000230190 [0,2,0,0,0,0|2,0,0]=4 10984 B17R0.191 CC(C)N(C)C(=O)CNCCCCCCCCO 34a_102515433106_100000230190 [0,2,0,0,0,0|2,0,0]=4 10985 B17R0.191 CC(C)N(C)C(=O)COCCCCCCCCBr 34a_100009813846_100000230190 [0,2,0,0,0,0|2,0,0]=4 10986 B17R0.191 CC(C)N(C)C(=O)COCCCCCCCCBr 7a_100009813846_100000230190 [0,2,0,0,0,0|2,0,0]=4 10987 B17R0.191 CC(C)N(C)C(=O)COCCCCCCCCCl 34a_100000033203_100000230190 [0,2,0,0,0,0|2,0,0]=4 10988 B17R0.191 CC(C)N(C)C(=O)COCCCCCCCCCl 7a_100000033203_100000230190 [0,2,0,0,0,0|2,0,0]=4 10989 B17R0.191 CC(C)N(C)C(=O)COCCCCCCCCN 34a_102515433106_100000230190 [0,2,0,0,0,0|2,0,0]=4 10990 B17R0.191 CC(C)N(C)C(=O)CSCCCCCCCCO 62a_100000033203_100000230190 [0,2,0,0,0,0|2,0,0]=4 10991 B17R0.191 CC(C)N(C)C(=O)CSCCCCCCCCO 62a_100000230190_100000033203 [0,2,0,0,0,0|2,0,0]=4 10992 B17R0.191 CC(C)N(C)C(=O)NCCCCCCCCCO 2708a_100000078944_200000211004 [0,2,0,0,0,0|2,0,0]=4 10993 B17R0.191 CC(C)N(C)C(=O)NCCCCCCCCCO 273464a_100000078944_200000211004 [0,2,0,0,0,0|2,0,0]=4 10994 B17R0.191 CC(C)[C@@H](O)C(=O)CCCCCCCCCCO 1458a_100000691806_100009813290 [0,2,0,0,0,0|2,0,0]=4 10995 B17R0.191 CCCCCCCCCC=CC(=O)N(C)C(C)C 11a_200000211004_200015352897 [0,2,0,0,0,0|0,0,2]=4 10996 B17R0.191 CCCCCCCCCC=CC(=O)N(C)C(C)C 1626a_200000211004_200015352897 [0,2,0,0,0,0|0,0,2]=4 10997 B17R0.191 CCCCCCCCCC=CC(=O)N(C)C(C)C 240690a_200000211004_200015352897 [0,2,0,0,0,0|0,0,2]=4 10998 B17R0.191 CCCCCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100011215454 [0,2,0,0,0,0|2,0,0]=4 10999 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210736_100000179758 [0,2,0,0,0,0|1,0,1]=4 11000 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100011215454 [0,2,0,0,0,0|1,0,0]=3 11001 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000210736 [0,2,0,0,0,0|0,0,0]=2 11002 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210736 [0,2,0,0,0,0|0,0,0]=2 11003 B17R0.191 CCCCCCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210736 [0,2,0,0,0,0|0,0,0]=2 11004 B17R0.191 CCCCCCCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011215454 [0,2,0,0,0,0|2,0,0]=4 11005 B17R0.191 CCCCCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215454 [0,2,0,0,0,0|1,0,0]=3 11006 B17R0.191 CCCCCCCCCCCC(C)N(C)C(C)C 270004a_200000211004_100011216755 [0,2,0,0,0,0|1,0,1]=4 11007 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 11a_100000684558_100000755409 [0,2,0,0,0,0|2,0,0]=4 11008 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 1626a_100000684558_100000755409 [0,2,0,0,0,0|2,0,0]=4 11009 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 240690a_100000684558_100000755409 [0,2,0,0,0,0|2,0,0]=4 11010 B17R0.191 CCCCCCCCCCNC(=O)C(C)C(C)C 527a_100000684558_100000755409 [0,2,0,0,0,0|2,0,0]=4 11011 B17R0.191 CCCCCCCCCCNC(=O)N(C)C(C)C 2708a_100000684558_200000211004 [0,2,0,0,0,0|1,0,0]=3 11012 B17R0.191 CCCCCCCCCCNC(=O)N(C)C(C)C 273464a_100000684558_200000211004 [0,2,0,0,0,0|1,0,0]=3 11013 B17R0.191 CCCCCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000684558_100000691806 [0,2,0,0,0,0|2,0,0]=4 11014 B17R0.191 CCCCCCCCCNCC(=O)N(C)C(C)C 2230a_100000212291_100000230190 [0,2,0,0,0,0|1,0,0]=3 11015 B17R0.191 CCCCCCCCCNCC(=O)N(C)C(C)C 34a_100000212291_100000230190 [0,2,0,0,0,0|1,0,0]=3 11016 B17R0.191 CCCCCCCCCOCC(=O)N(C)C(C)C 34a_100000210712_100000230190 [0,2,0,0,0,0|1,0,0]=3 11017 B17R0.191 CCCCCCCCCOCC(=O)N(C)C(C)C 7a_100000210712_100000230190 [0,2,0,0,0,0|1,0,0]=3 11018 B17R0.191 CCCCCCCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210670 [0,2,0,0,0,0|1,0,0]=3 11019 B17R0.191 CCCCCCOCCOCC(=O)N(C)C(C)C 34a_100000691444_100000230190 [0,2,0,0,0,0|2,0,0]=4 11020 B17R0.191 CCCCCCOCCOCC(=O)N(C)C(C)C 7a_100000691444_100000230190 [0,2,0,0,0,0|2,0,0]=4 11021 B17R0.191 CCCCNCCCCOCC(=O)N(C)C(C)C 34a_200011216965_100000230190 [0,2,0,0,0,0|2,0,0]=4 11022 B17R0.191 CCCCOCCCCOCC(=O)N(C)C(C)C 34a_200000760531_100000230190 [0,2,0,0,0,0|2,0,0]=4 11023 B17R0.191 CCCCOCCCCOCC(=O)N(C)C(C)C 7a_200000760531_100000230190 [0,2,0,0,0,0|2,0,0]=4 11024 B17R0.629 CCCCCCCCCCN(C)C(=O)C(C)CC 11a_100000207566_100011192722 [0,2,0,0,0,0|2,0,0]=4 11025 B17R0.629 CCCCCCCCCCN(C)C(=O)C(C)CC 1626a_100000207566_100011192722 [0,2,0,0,0,0|2,0,0]=4 11026 B17R0.629 CCCCCCCCCCN(C)C(=O)C(C)CC 240690a_100000207566_100011192722 [0,2,0,0,0,0|2,0,0]=4 11027 B17R0.629 CCCCCCCCCCN(C)C(=O)C(C)CC 527a_100000207566_100011192722 [0,2,0,0,0,0|2,0,0]=4 11028 B17R0.629 CCCCCCCCCCN(C)C(=O)C(O)CC 240690a_100000207566_100011196387 [0,2,0,0,0,0|2,0,0]=4 11029 B17R0.629 CCCCCCCCCNC(C)C(=O)N(C)CC 2230a_100000212291_200012002205 [0,2,0,0,0,0|1,0,0]=3 11030 B17R0.629 CCCCCCCCCNC(C)C(=O)N(C)CC 34a_100000212291_200012002205 [0,2,0,0,0,0|1,0,0]=3 11031 B17R0.629 CCCCCCCCCNC(C)C(=O)N(C)OC 269862a_100000212291_100000090643 [0,2,0,0,0,0|2,0,0]=4 11032 B17R0.629 CCCCCCCCCOC(C)C(=O)N(C)CC 34a_100000210712_200012002205 [0,2,0,0,0,0|1,0,0]=3 11033 B17R0.629 CCCCCCCCCOC(C)C(=O)N(C)CC 7a_100000210712_200012002205 [0,2,0,0,0,0|1,0,0]=3 11034 B17R0.629 CCCCCCCCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210670 [0,2,0,0,0,0|1,0,0]=3 11035 B17R0.629 CCCCCCOCCOC(C)C(=O)N(C)CC 34a_100000691444_200012002205 [0,2,0,0,0,0|2,0,0]=4 11036 B17R0.629 CCCCCCOCCOC(C)C(=O)N(C)CC 7a_100000691444_200012002205 [0,2,0,0,0,0|2,0,0]=4 11037 B17R0.629 CCCCNCCCCOC(C)C(=O)N(C)CC 34a_200011216965_200012002205 [0,2,0,0,0,0|2,0,0]=4 11038 B17R0.629 CCCCOCCCCOC(C)C(=O)N(C)CC 34a_200000760531_200012002205 [0,2,0,0,0,0|2,0,0]=4 11039 B17R0.629 CCCCOCCCCOC(C)C(=O)N(C)CC 7a_200000760531_200012002205 [0,2,0,0,0,0|2,0,0]=4 11040 B17R0.629 CCN(C)C(=O)C(C)NCCCCCCCCO 2230a_102515433106_200012002205 [0,2,0,0,0,0|2,0,0]=4 11041 B17R0.629 CCN(C)C(=O)C(C)NCCCCCCCCO 34a_102515433106_200012002205 [0,2,0,0,0,0|2,0,0]=4 11042 B17R0.629 CCN(C)C(=O)C(C)OCCCCCCCCBr 34a_100009813846_200012002205 [0,2,0,0,0,0|2,0,0]=4 11043 B17R0.629 CCN(C)C(=O)C(C)OCCCCCCCCBr 7a_100009813846_200012002205 [0,2,0,0,0,0|2,0,0]=4 11044 B17R0.629 CCN(C)C(=O)C(C)OCCCCCCCCCl 34a_100000033203_200012002205 [0,2,0,0,0,0|2,0,0]=4 11045 B17R0.629 CCN(C)C(=O)C(C)OCCCCCCCCCl 7a_100000033203_200012002205 [0,2,0,0,0,0|2,0,0]=4 11046 B17R0.629 CCN(C)C(=O)C(C)OCCCCCCCCN 34a_102515433106_200012002205 [0,2,0,0,0,0|2,0,0]=4 11047 B17R0.629 CCN(C)C(=O)C(C)SCCCCCCCCO 62a_100000033203_200012002205 [0,2,0,0,0,0|2,0,0]=4 11048 B17R0.629 CCN(C)C(=O)C(C)SCCCCCCCCO 62a_200012002205_100000033203 [0,2,0,0,0,0|2,0,0]=4 11049 B17R0.5622 CCC(C)(C)C(=O)CCCCCCCCCCO 1458a_100000749717_100009813290 [0,2,0,0,0,0|2,0,0]=4 11050 B17R0.5622 CCC(C)(O)C(=O)CCCCCCCCCCO 1458a_100011219770_100009813290 [0,2,0,0,0,0|2,0,0]=4 11051 B17R0.5622 CCC(F)(F)C(=O)CCCCCCCCCCO 1458a_100000061896_100009813290 [0,2,0,0,0,0|2,0,0]=4 11052 B17R0.5622 CCCCCCCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100011215454 [0,2,0,0,0,0|1,0,0]=3 11053 B17R0.5622 CCCCCCCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100011215454 [0,2,0,0,0,0|2,0,0]=4 11054 B17R0.5622 CCCCCCCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100011215454 [0,2,0,0,0,0|2,0,0]=4 11055 B17R0.5622 CCCCCCCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100011215454 [0,2,0,0,0,0|2,0,0]=4 11056 B17R0.5622 CCCCCCCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100011215454 [0,2,0,0,0,0|1,0,0]=3 11057 B17R0.5622 CCCCCCCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100011215454 [0,2,0,0,0,0|1,0,0]=3 11058 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(C)CC 11a_100000684558_100000749717 [0,2,0,0,0,0|2,0,0]=4 11059 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(C)CC 1626a_100000684558_100000749717 [0,2,0,0,0,0|2,0,0]=4 11060 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(C)CC 240690a_100000684558_100000749717 [0,2,0,0,0,0|2,0,0]=4 11061 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(C)CC 527a_100000684558_100000749717 [0,2,0,0,0,0|2,0,0]=4 11062 B17R0.5622 CCCCCCCCCCNC(=O)C(C)(O)CC 240690a_100000684558_100011219770 [0,2,0,0,0,0|2,0,0]=4 11063 B17R0.5622 CCCCCCCCCCNC(=O)C(F)(F)CC 11a_100000684558_100000061896 [0,2,0,0,0,0|2,0,0]=4 11064 B17R0.5622 CCCCCCCCCCNC(=O)C(F)(F)CC 1626a_100000684558_100000061896 [0,2,0,0,0,0|2,0,0]=4 11065 B17R0.5622 CCCCCCCCCCNC(=O)C(F)(F)CC 240690a_100000684558_100000061896 [0,2,0,0,0,0|2,0,0]=4 11066 B17R0.5622 CCCCCCCCCCNC(=O)C(F)(F)CC 527a_100000684558_100000061896 [0,2,0,0,0,0|2,0,0]=4 11067 B17R0.6196 CCCCCCCN(C)CCCC(=O)N(C)OC 269982a_100000228206_100011842776 [0,2,0,0,0,0|2,0,0]=4 11068 B17R0.8814 CCCCCCCCCC(=O)CC(=O)N(C)CC 1458a_100000210558_100011894763 [0,2,0,0,0,0|0,0,1]=3 11069 B17R0.8814 CCCCCCCCCC(=O)CC(=O)N(C)OC 1458a_100000210558_100000764215 [0,2,0,0,0,0|1,0,1]=4 11070 B17R0.8814 CCCCCCCCCC(O)CC(=O)N(C)CC 1626a_100000225621_200012339438 [0,2,0,0,0,0|0,0,0]=2 11071 B17R0.8814 CCCCCCCCCC(O)CC(=O)N(C)CC 240690a_100000225621_200012339438 [0,2,0,0,0,0|0,0,0]=2 11072 B17R0.8814 CCCCCCCCCN(C)CC(=O)N(C)CC 2230a_100000232482_100000738999 [0,2,0,0,0,0|1,0,0]=3 11073 B17R0.8814 CCCCCCCCCN(C)CC(=O)N(C)CC 269982a_100000232482_100000738999 [0,2,0,0,0,0|1,0,0]=3 11074 B17R0.8814 CCCCCCCCCN(C)CC(=O)N(C)OC 2230a_100000232482_100000764215 [0,2,0,0,0,0|2,0,0]=4 11075 B17R0.8814 CCCCCCCCCN(C)CC(=O)N(C)OC 269982a_100000232482_100000764215 [0,2,0,0,0,0|2,0,0]=4 11076 B17R0.13604 CCC(CC)C(=O)CCCCCCCCCCO 1458a_100000211163_100009813290 [0,2,0,0,0,0|2,0,0]=4 11077 B17R0.13604 CCC(OC)C(=O)CCCCCCCCCCO 1458a_100000747056_100009813290 [0,2,0,0,0,0|2,0,0]=4 11078 B17R0.13604 CCCCCCCCCC=CC(=O)N(CC)CC 11a_100000724800_200015352897 [0,2,0,0,0,0|0,0,2]=4 11079 B17R0.13604 CCCCCCCCCC=CC(=O)N(CC)CC 1626a_100000724800_200015352897 [0,2,0,0,0,0|0,0,2]=4 11080 B17R0.13604 CCCCCCCCCC=CC(=O)N(CC)CC 240690a_100000724800_200015352897 [0,2,0,0,0,0|0,0,2]=4 11081 B17R0.13604 CCCCCCCCCCCC(=O)C(CC)CC 1458a_100000210736_100000210505 [0,2,0,0,0,0|1,0,0]=3 11082 B17R0.13604 CCCCCCCCCCCC(=O)C(CC)CC 1458a_100000211163_100011215454 [0,2,0,0,0,0|1,0,0]=3 11083 B17R0.13604 CCCCCCCCCCCC(=O)C(CC)OC 1458a_100000747056_100011215454 [0,2,0,0,0,0|1,0,0]=3 11084 B17R0.13604 CCCCCCCCCCCC(=O)C(OC)OC 1458a_100000046285_100011215454 [0,2,0,0,0,0|2,0,0]=4 11085 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC 11a_100000724800_100000210736 [0,2,0,0,0,0|0,0,0]=2 11086 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC 1626a_100000724800_100000210736 [0,2,0,0,0,0|0,0,0]=2 11087 B17R0.13604 CCCCCCCCCCCC(=O)N(CC)CC 240690a_100000724800_100000210736 [0,2,0,0,0,0|0,0,0]=2 11088 B17R0.13604 CCCCCCCCCCCC(C)N(CC)CC 270004a_100000724800_100011216755 [0,2,0,0,0,0|1,0,1]=4 11089 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)CC 11a_100000684558_100000211163 [0,2,0,0,0,0|2,0,0]=4 11090 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)CC 1626a_100000684558_100000211163 [0,2,0,0,0,0|2,0,0]=4 11091 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)CC 240690a_100000684558_100000211163 [0,2,0,0,0,0|2,0,0]=4 11092 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)CC 527a_100000684558_100000211163 [0,2,0,0,0,0|2,0,0]=4 11093 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)OC 11a_100000684558_100000747056 [0,2,0,0,0,0|2,0,0]=4 11094 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)OC 1626a_100000684558_100000747056 [0,2,0,0,0,0|2,0,0]=4 11095 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)OC 240690a_100000684558_100000747056 [0,2,0,0,0,0|2,0,0]=4 11096 B17R0.13604 CCCCCCCCCCNC(=O)C(CC)OC 527a_100000684558_100000747056 [0,2,0,0,0,0|2,0,0]=4 11097 B17R0.13604 CCCCCCCCCCNC(=O)N(CC)CC 2708a_100000684558_100000724800 [0,2,0,0,0,0|1,0,0]=3 11098 B17R0.13604 CCCCCCCCCCNC(=O)N(CC)CC 273464a_100000684558_100000724800 [0,2,0,0,0,0|1,0,0]=3 11099 B17R0.13604 CCCCCCCCCNCC(=O)N(CC)CC 2230a_100000174916_100011214924 [0,2,0,0,0,0|1,0,0]=3 11100 B17R0.13604 CCCCCCCCCNCC(=O)N(CC)CC 2230a_100000212291_100000211521 [0,2,0,0,0,0|1,0,0]=3 11101 B17R0.13604 CCCCCCCCCNCC(=O)N(CC)CC 34a_100000212291_100000211521 [0,2,0,0,0,0|1,0,0]=3 11102 B17R0.13604 CCCCCCCCCOCC(=O)N(CC)CC 34a_100000210712_100000211521 [0,2,0,0,0,0|1,0,0]=3 11103 B17R0.13604 CCCCCCCCCOCC(=O)N(CC)CC 7a_100000210712_100000211521 [0,2,0,0,0,0|1,0,0]=3 11104 B17R0.13604 CCCCCCCCCOCC(=O)N(CC)CC 7a_200000238847_100000210328 [0,2,0,0,0,0|1,0,0]=3 11105 B17R0.13604 CCCCCCCCCSCC(=O)N(CC)CC 62a_100000211521_100000210670 [0,2,0,0,0,0|1,0,0]=3 11106 B17R0.13604 CCCCCCCCNCCC(=O)N(CC)CC 2230a_100000229939_100011194432 [0,2,0,0,0,0|1,0,0]=3 11107 B17R0.13604 CCCCCCCCNCOC(=O)N(CC)CC 2230a_100000229939_100000140013 [0,2,0,0,0,0|2,0,0]=4 11108 B17R0.13604 CCCCCCCCOCCC(=O)N(CC)CC 7a_100000210232_100011194432 [0,2,0,0,0,0|1,0,0]=3 11109 B17R0.13604 CCCCCCCCOCOC(=O)N(CC)CC 7a_100000210232_100000140013 [0,2,0,0,0,0|2,0,0]=4 11110 B17R0.13604 CCCCCCCCSCCC(=O)N(CC)CC 62a_100000210759_100011194432 [0,2,0,0,0,0|1,0,0]=3 11111 B17R0.13604 CCCCCCCCSCOC(=O)N(CC)CC 62a_100000210759_100000140013 [0,2,0,0,0,0|2,0,0]=4 11112 B17R0.13604 CCCCCCCOCCCC(=O)N(CC)CC 7a_100000210272_100000183999 [0,2,0,0,0,0|1,0,0]=3 11113 B17R0.13604 CCCCCCCSCCCC(=O)N(CC)CC 62a_100000210614_100000183999 [0,2,0,0,0,0|1,0,0]=3 11114 B17R0.13604 CCCCCCOCCOCC(=O)N(CC)CC 34a_100000691444_100000211521 [0,2,0,0,0,0|2,0,0]=4 11115 B17R0.13604 CCCCCCOCCOCC(=O)N(CC)CC 7a_100000691444_100000211521 [0,2,0,0,0,0|2,0,0]=4 11116 B17R0.13604 CCCCCOCCOCCC(=O)N(CC)CC 7a_100011215259_100011194432 [0,2,0,0,0,0|2,0,0]=4 11117 B17R0.13604 CCCCNCCCCOCC(=O)N(CC)CC 34a_200011216965_100000211521 [0,2,0,0,0,0|2,0,0]=4 11118 B17R0.13604 CCCCOCCCCOCC(=O)N(CC)CC 34a_200000760531_100000211521 [0,2,0,0,0,0|2,0,0]=4 11119 B17R0.13604 CCCCOCCCCOCC(=O)N(CC)CC 7a_200000760531_100000211521 [0,2,0,0,0,0|2,0,0]=4 11120 B17R0.13604 CCCCOCCCNCCC(=O)N(CC)CC 2230a_200000211371_100011194432 [0,2,0,0,0,0|2,0,0]=4 11121 B17R0.13604 CCCCOCCCOCCC(=O)N(CC)CC 7a_200011215613_100011194432 [0,2,0,0,0,0|2,0,0]=4 11122 B17R0.13604 CCCCOCCOCCCC(=O)N(CC)CC 7a_100000210238_100000183999 [0,2,0,0,0,0|2,0,0]=4 11123 B17R0.13604 CCCCOCCSCCCC(=O)N(CC)CC 62a_100000743108_100000183999 [0,2,0,0,0,0|2,0,0]=4 11124 B17R0.13604 CCCCSCCOCCCC(=O)N(CC)CC 7a_200000230436_100000183999 [0,2,0,0,0,0|2,0,0]=4 11125 B17R0.13604 CCN(CC)C(=O)CCCCCCCCCCO 240690a_100000724800_200000016029 [0,2,0,0,0,0|1,0,0]=3 11126 B17R0.13604 CCN(CC)C(=O)CCCOCCCCCCBr 7a_100011215345_100000183999 [0,2,0,0,0,0|2,0,0]=4 11127 B17R0.13604 CCN(CC)C(=O)CCCOCCCCCCCl 7a_100000766143_100000183999 [0,2,0,0,0,0|2,0,0]=4 11128 B17R0.13604 CCN(CC)C(=O)CCCOCCCCCCF 7a_100000732779_100000183999 [0,2,0,0,0,0|2,0,0]=4 11129 B17R0.13604 CCN(CC)C(=O)CCCSCCCCCCF 62a_100015922095_100000183999 [0,2,0,0,0,0|2,0,0]=4 11130 B17R0.13604 CCN(CC)C(=O)CCCSCCCCCCO 62a_100000766143_100000183999 [0,2,0,0,0,0|2,0,0]=4 11131 B17R0.13604 CCN(CC)C(=O)CCNCCCCCCCO 2230a_100011996573_100011194432 [0,2,0,0,0,0|2,0,0]=4 11132 B17R0.13604 CCN(CC)C(=O)CCOCCCCCCCBr 7a_100000760002_100011194432 [0,2,0,0,0,0|2,0,0]=4 11133 B17R0.13604 CCN(CC)C(=O)CCOCCCCCCOC 7a_200012092642_100011194432 [0,2,0,0,0,0|2,0,0]=4 11134 B17R0.13604 CCN(CC)C(=O)CCSCCCCCCCO 62a_100000760002_100011194432 [0,2,0,0,0,0|2,0,0]=4 11135 B17R0.13604 CCN(CC)C(=O)CCSCCCCCCOC 62a_100011998445_100011194432 [0,2,0,0,0,0|2,0,0]=4 11136 B17R0.13604 CCN(CC)C(=O)CNCCCCCCCCO 2230a_100000174916_100000033203 [0,2,0,0,0,0|2,0,0]=4 11137 B17R0.13604 CCN(CC)C(=O)CNCCCCCCCCO 2230a_102515433106_100000211521 [0,2,0,0,0,0|2,0,0]=4 11138 B17R0.13604 CCN(CC)C(=O)CNCCCCCCCCO 34a_102515433106_100000211521 [0,2,0,0,0,0|2,0,0]=4 11139 B17R0.13604 CCN(CC)C(=O)COCCCCCCCCBr 34a_100009813846_100000211521 [0,2,0,0,0,0|2,0,0]=4 11140 B17R0.13604 CCN(CC)C(=O)COCCCCCCCCBr 7a_100009813846_100000211521 [0,2,0,0,0,0|2,0,0]=4 11141 B17R0.13604 CCN(CC)C(=O)COCCCCCCCCCl 34a_100000033203_100000211521 [0,2,0,0,0,0|2,0,0]=4 11142 B17R0.13604 CCN(CC)C(=O)COCCCCCCCCCl 7a_100000033203_100000211521 [0,2,0,0,0,0|2,0,0]=4 11143 B17R0.13604 CCN(CC)C(=O)COCCCCCCCCN 34a_102515433106_100000211521 [0,2,0,0,0,0|2,0,0]=4 11144 B17R0.13604 CCN(CC)C(=O)COCCCCCCCCO 7a_200000238847_100000033203 [0,2,0,0,0,0|2,0,0]=4 11145 B17R0.13604 CCN(CC)C(=O)CSCCCCCCCCO 62a_100000033203_100000211521 [0,2,0,0,0,0|2,0,0]=4 11146 B17R0.13604 CCN(CC)C(=O)CSCCCCCCCCO 62a_100000211521_100000033203 [0,2,0,0,0,0|2,0,0]=4 11147 B17R0.13604 CCN(CC)C(=O)NCCCCCCCCCO 2708a_100000078944_100000724800 [0,2,0,0,0,0|2,0,0]=4 11148 B17R0.13604 CCN(CC)C(=O)NCCCCCCCCCO 273464a_100000078944_100000724800 [0,2,0,0,0,0|2,0,0]=4 11149 B17R0.13789 CCCC(C)CCCOCCCC(=O)N(C)OC 7a_100011713154_100011842776 [0,2,0,0,0,0|2,0,0]=4 11150 B17R0.13789 CCOC(=O)CCCCCCCC(=O)C(C)CC 1458a_100011192722_100009991516 [0,2,0,0,0,0|1,0,1]=4 11151 B17R0.13789 CCOC(=O)CCCCCCCC(=O)C(O)CC 1458a_100011196387_100009991516 [0,2,0,0,0,0|1,0,1]=4 11152 B17R0.13789 CCOC(=O)CCCCCCCN(C)C(C)CC 2230a_100000741768_100009991516 [0,2,0,0,0,0|2,0,0]=4 11153 B17R0.13789 CCOC(=O)CCCCCCCN(C)C(C)CC 269982a_100000741768_100009991516 [0,2,0,0,0,0|2,0,0]=4 11154 B17R0.13789 CCOC(=O)CCCCCCOC(C)C(C)CC 7a_100011215189_100009814379 [0,2,0,0,0,0|2,0,0]=4 11155 B17R0.29 CCCC(C)CC(=O)CCCCCC(=O)OCC 1458a_100000037472_100011216630 [0,2,0,0,0,0|1,0,1]=4 11156 B17R0.29 CCCC(C)CC(=O)CCCCCC(=O)OCC 1458a_100000748435_100000755133 [0,2,0,0,0,0|1,0,1]=4 11157 B17R0.29 CCCC(C)CCCOC[C@@H](O)CC(=O)OCC 34a_100011713154_100000688340 [0,2,0,0,0,0|2,0,0]=4 11158 B17R0.29 CCCC(C)CCCOC[C@@H](O)CC(=O)OCC 7a_100011713154_100000688340 [0,2,0,0,0,0|2,0,0]=4 11159 B17R0.1999 CCCC(C)CCCOC(C)CCC(=O)OCC 34a_100011713154_100000748298 [0,2,0,0,0,0|2,0,0]=4 11160 B17R0.1999 CCCC(C)CCCOC(C)CCC(=O)OCC 7a_100011713154_100000748298 [0,2,0,0,0,0|2,0,0]=4 11161 B17R0.2042 CCCC(C)C(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000766640 [0,2,0,0,0,0|1,0,1]=4 11162 B17R0.2042 CCCC(C)C(=O)CCCCCCC(=O)OCC 1458a_100000210906_100009814379 [0,2,0,0,0,0|1,0,1]=4 11163 B17R0.2042 CCCC(C)C(C)OCCCCCC(=O)OCC 34a_100000708338_100000755133 [0,2,0,0,0,0|2,0,0]=4 11164 B17R0.2042 CCCC(C)C(C)OCCCCCC(=O)OCC 7a_100000708338_100000755133 [0,2,0,0,0,0|2,0,0]=4 11165 B17R0.2042 CCC[C@H](O)C(=O)CCCCCCC(=O)OCC 1458a_100009822183_100009814379 [0,2,0,0,0,0|1,0,1]=4 11166 B17R0.2047 C#CC(CCC)OCCCCCCC(=O)OCC 34a_200011217317_100009814379 [0,2,0,0,0,0|2,0,0]=4 11167 B17R0.2047 C#CC(CCC)OCCCCCCC(=O)OCC 7a_200011217317_100009814379 [0,2,0,0,0,0|2,0,0]=4 11168 B17R0.2047 C=CC(CCC)OCCCCCCC(=O)OCC 34a_100011216692_100009814379 [0,2,0,0,0,0|2,0,0]=4 11169 B17R0.2047 C=CC(CCC)OCCCCCCC(=O)OCC 7a_100011216692_100009814379 [0,2,0,0,0,0|2,0,0]=4 11170 B17R0.2047 CCCC(C#N)OCCCCCCC(=O)OCC 34a_100000686963_100009814379 [0,2,0,0,0,0|2,0,0]=4 11171 B17R0.2047 CCCC(C#N)OCCCCCCC(=O)OCC 7a_100000686963_100009814379 [0,2,0,0,0,0|2,0,0]=4 11172 B17R0.2047 CCCC(CC)NCCCCCCC(=O)OCC 2230a_100000747048_100009814379 [0,2,0,0,0,0|2,0,0]=4 11173 B17R0.2047 CCCC(CC)OCCCCCCC(=O)OCC 34a_100000687864_100009814379 [0,2,0,0,0,0|2,0,0]=4 11174 B17R0.2047 CCCC(CC)OCCCCCCC(=O)OCC 7a_100000687864_100009814379 [0,2,0,0,0,0|2,0,0]=4 11175 B17R0.2047 CCCC(CC)SCCCCCCC(=O)OCC 62a_100011219200_100009814379 [0,2,0,0,0,0|2,0,0]=4 11176 B17R0.2047 CCCC(CCOCCCCC(=O)OCC)SC 34a_100000032865_100000750268 [0,2,0,0,0,0|2,0,0]=4 11177 B17R0.2047 CCCC(CCOCCCCC(=O)OCC)SC 7a_100000032865_100000750268 [0,2,0,0,0,0|2,0,0]=4 11178 B17R0.2047 CCCN(CC)CCCCCCCC(=O)OCC 2230a_100000226822_100009991516 [0,2,0,0,0,0|2,0,0]=4 11179 B17R0.2047 CCCN(CC)CCCCCCCC(=O)OCC 269982a_100000226822_100009991516 [0,2,0,0,0,0|2,0,0]=4 11180 B17R0.2047 CCC[C@@H](CO)NCCCCCCC(=O)OCC 2230a_100000732646_100009814379 [0,2,0,0,0,0|2,0,0]=4 11181 B17R0.2047 CCC[C@@H](CO)NCCCCCCC(=O)OCC 34a_100000732646_100009814379 [0,2,0,0,0,0|2,0,0]=4 11182 B17R0.39022 CCCC(C)(C)COCCCCCC(=O)OCC 7a_100011995695_100000755133 [0,2,0,0,0,0|2,0,0]=4 11183 B17R0.39022 CCCC(C)(C)OCCCCCCC(=O)OCC 7a_100000748436_100009814379 [0,2,0,0,0,0|2,0,0]=4 11184 B17R0.95 CC(C)NC(=O)CCC(=O)CCCCCCCO 1458a_100011219782_100000737564 [0,2,0,0,0,0|1,0,1]=4 11185 B17R0.95 CCCCCCCCC(=O)CCC(=O)NC(C)C 1458a_100000210188_100000737564 [0,2,0,0,0,0|0,0,1]=3 11186 B17R0.95 CCCCCCCCC(=O)CCC(=O)NN(C)C 1458a_100011219620_100000210759 [0,2,0,0,0,0|1,0,1]=4 11187 B17R0.95 CCCCCCCCC(=O)CCC(=O)OC(C)C 1458a_100000210188_100000760027 [0,2,0,0,0,0|1,0,1]=4 11188 B17R0.95 CCCCCCCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210188 [0,2,0,0,0,0|1,0,1]=4 11189 B17R0.95 CCCCCCCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210188 [0,2,0,0,0,0|1,0,1]=4 11190 B17R0.95 CCCCCCCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210188 [0,2,0,0,0,0|1,0,1]=4 11191 B17R0.95 CCCCCCCCC(=O)NCC(=O)NC(C)C 527a_100000168517_100000210188 [0,2,0,0,0,0|1,0,1]=4 11192 B17R0.95 CCCCCCCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100011216694 [0,2,0,0,0,0|1,0,0]=3 11193 B17R0.95 CCCCCCCCC(C)OCC(=O)NC(=O)C 7a_100000210740_100000183797 [0,2,0,0,0,0|1,0,1]=4 11194 B17R0.95 CCCCCCCCC(C)OCC(=O)NC(C)C 34a_100000210740_100000183996 [0,2,0,0,0,0|1,0,0]=3 11195 B17R0.95 CCCCCCCCC(C)OCC(=O)NC(C)C 7a_100000210740_100000183996 [0,2,0,0,0,0|1,0,0]=3 11196 B17R0.95 CCCCCCCCC(C)OCC(=O)OC(C)C 34a_100000210740_100011215430 [0,2,0,0,0,0|2,0,0]=4 11197 B17R0.95 CCCCCCCCC(C)OCC(=O)OC(C)C 7a_100000210740_100011215430 [0,2,0,0,0,0|2,0,0]=4 11198 B17R0.95 CCCCCCCCN(C)CCC(=O)NC(C)C 2230a_100000207567_100000737564 [0,2,0,0,0,0|1,0,0]=3 11199 B17R0.95 CCCCCCCCN(C)CCC(=O)NC(C)C 269982a_100000207567_100000737564 [0,2,0,0,0,0|1,0,0]=3 11200 B17R0.95 CCCCCCCCN(C)CCC(=O)OC(C)C 2230a_100000207567_100000760027 [0,2,0,0,0,0|2,0,0]=4 11201 B17R0.95 CCCCCCCCN(C)CCC(=O)OC(C)C 269982a_100000207567_100000760027 [0,2,0,0,0,0|2,0,0]=4 11202 B17R0.165 CCCCCCC(C)NC(=O)CCC(=O)NCC 11a_100000210919_100000199579 [0,2,0,0,0,0|1,0,1]=4 11203 B17R0.165 CCCCCCC(C)NC(=O)CCC(=O)NCC 1626a_100000210919_100000199579 [0,2,0,0,0,0|1,0,1]=4 11204 B17R0.165 CCCCCCC(C)NC(=O)CCC(=O)NCC 240690a_100000210919_100000199579 [0,2,0,0,0,0|1,0,1]=4 11205 B17R0.165 CCCCCCC(C)NC(C)CCC(=O)OCC 2230a_100000210919_100000748298 [0,2,0,0,0,0|2,0,0]=4 11206 B17R0.165 CCCCCCC(C)NC(C)CCC(=O)OCC 34a_100000210919_100000748298 [0,2,0,0,0,0|2,0,0]=4 11207 B17R0.165 CCCCCCC(C)OC(C)CCC(=O)OCC 34a_100000210265_100000748298 [0,2,0,0,0,0|2,0,0]=4 11208 B17R0.165 CCCCCCC(C)OC(C)CCC(=O)OCC 7a_100000210265_100000748298 [0,2,0,0,0,0|2,0,0]=4 11209 B17R0.165 CCCCCCC(C)SC(C)CCC(=O)OCC 62a_100000748298_100011215978 [0,2,0,0,0,0|2,0,0]=4 11210 B17R0.165 CCCCCCC(C)SC(C)CCC(=O)OCC 62a_100011215978_100000748298 [0,2,0,0,0,0|2,0,0]=4 11211 B17R0.799 CCCCCCCCS(=O)(=O)NCC(=O)NCC 270084a_100016988866_100011218563 [0,2,0,0,0,0|2,0,0]=4 11212 B17R0.799 CCCCCCCCS(=O)(=O)NCC(=O)NCC 274078a_100016988866_100011218563 [0,2,0,0,0,0|2,0,0]=4 11213 B17R0.1014 CCCCCCCCC(=O)C(C)CC(=O)OCC 1458a_100000210188_100009817359 [0,2,0,0,0,0|1,0,1]=4 11214 B17R0.1014 CCCCCCCCC(=O)N(C)CC(=O)NCC 11a_100000741943_100000210188 [0,2,0,0,0,0|1,0,1]=4 11215 B17R0.1014 CCCCCCCCC(=O)N(C)CC(=O)NCC 1626a_100000741943_100000210188 [0,2,0,0,0,0|1,0,1]=4 11216 B17R0.1014 CCCCCCCCC(=O)N(C)CC(=O)NCC 240690a_100000741943_100000210188 [0,2,0,0,0,0|1,0,1]=4 11217 B17R0.1014 CCCCCCCCC(=O)N(C)CC(=O)NCC 527a_100000741943_100000210188 [0,2,0,0,0,0|1,0,1]=4 11218 B17R0.1014 CCCCCCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100011216694 [0,2,0,0,0,0|1,0,0]=3 11219 B17R0.1014 CCCCCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100011216694 [0,2,0,0,0,0|2,0,0]=4 11220 B17R0.1014 CCCCCCCCC(O)C(=O)CC(=O)CCC 1458a_200011995895_100000747444 [0,2,0,0,0,0|1,0,1]=4 11221 B17R0.1014 CCCCCCCCC(O)C(=O)CC(=O)NCC 1458a_200011995895_100000183381 [0,2,0,0,0,0|0,0,1]=3 11222 B17R0.1014 CCCCCCCCC(O)C(=O)CC(=O)NCO 1458a_200011995895_100000185155 [0,2,0,0,0,0|1,0,1]=4 11223 B17R0.1014 CCCCCCCCC(O)C(=O)CC(=O)OCC 1458a_200011995895_100000188475 [0,2,0,0,0,0|1,0,1]=4 11224 B17R0.1014 CCCCCCCCN(C)C(C)CC(=O)OCC 2230a_100000207567_100009817359 [0,2,0,0,0,0|2,0,0]=4 11225 B17R0.1014 CCCCCCCCN(C)C(C)CC(=O)OCC 269982a_100000207567_100009817359 [0,2,0,0,0,0|2,0,0]=4 11226 B17R0.3131 CCCCCCCCC(=O)NC(C)C(=O)NCC 11a_100000736553_100000210188 [0,2,0,0,0,0|1,0,1]=4 11227 B17R0.3131 CCCCCCCCC(=O)NC(C)C(=O)NCC 1626a_100000736553_100000210188 [0,2,0,0,0,0|1,0,1]=4 11228 B17R0.3131 CCCCCCCCC(=O)NC(C)C(=O)NCC 240690a_100000736553_100000210188 [0,2,0,0,0,0|1,0,1]=4 11229 B17R0.3131 CCCCCCCCC(=O)NC(C)C(=O)NCC 527a_100000736553_100000210188 [0,2,0,0,0,0|1,0,1]=4 11230 B17R0.3131 CCCCCCCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100011216694 [0,2,0,0,0,0|1,0,0]=3 11231 B17R0.3131 CCCCCCCCC(C)OC(C)C(=O)NCC 34a_100000210740_100000230173 [0,2,0,0,0,0|1,0,0]=3 11232 B17R0.3131 CCCCCCCCC(C)OC(C)C(=O)NCC 7a_100000210740_100000230173 [0,2,0,0,0,0|1,0,0]=3 11233 B17R0.3131 CCCCCCCCC(C)OC(C)C(=O)OCC 34a_100000210740_100011216346 [0,2,0,0,0,0|2,0,0]=4 11234 B17R0.3131 CCCCCCCCC(C)OC(C)C(=O)OCC 7a_100000210740_100011216346 [0,2,0,0,0,0|2,0,0]=4 11235 B17R0.3131 CCCCCCCCC(C)OC(F)C(=O)OCC 34a_100000210740_100000760018 [0,2,0,0,0,0|2,0,0]=4 11236 B17R0.3131 CCCCCCCCC(C)OC(F)C(=O)OCC 7a_100000210740_100000040065 [0,2,0,0,0,0|2,0,0]=4 11237 B17R0.5782 C=CCNC(=O)CCN(C)CCCCCCCC 2230a_100000207567_100011222895 [0,2,0,0,0,0|1,0,1]=4 11238 B17R0.5782 C=CCNC(=O)CCN(C)CCCCCCCC 269982a_100000207567_100011222895 [0,2,0,0,0,0|1,0,1]=4 11239 B17R0.5782 C=CCNC(=O)COC(C)CCCCCCCC 7a_100000210740_100000183597 [0,2,0,0,0,0|1,0,1]=4 11240 B17R0.5782 CCCCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210759 [0,2,0,0,0,0|0,0,1]=3 11241 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCC 11a_100000174927_100000210188 [0,2,0,0,0,0|1,0,1]=4 11242 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCC 1626a_100000174927_100000210188 [0,2,0,0,0,0|1,0,1]=4 11243 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCC 240690a_100000174927_100000210188 [0,2,0,0,0,0|1,0,1]=4 11244 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCC 527a_100000174927_100000210188 [0,2,0,0,0,0|1,0,1]=4 11245 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCF 11a_100000725713_100000210188 [0,2,0,0,0,0|1,0,1]=4 11246 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCF 1626a_100000725713_100000210188 [0,2,0,0,0,0|1,0,1]=4 11247 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCF 240690a_100000725713_100000210188 [0,2,0,0,0,0|1,0,1]=4 11248 B17R0.5782 CCCCCCCCC(=O)NCC(=O)NCCF 527a_100000725713_100000210188 [0,2,0,0,0,0|1,0,1]=4 11249 B17R0.5782 CCCCCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100011216694 [0,2,0,0,0,0|1,0,0]=3 11250 B17R0.5782 CCCCCCCCC(C)NCC(=O)NCCF 270004a_100000725713_100011216694 [0,2,0,0,0,0|1,0,0]=3 11251 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCC#N 7a_100000210740_100000736037 [0,2,0,0,0,0|1,0,1]=4 11252 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCCC 34a_100000210740_100000183358 [0,2,0,0,0,0|1,0,0]=3 11253 B17R0.5782 CCCCCCCCC(C)OCC(=O)NCCC 7a_100000210740_100000183358 [0,2,0,0,0,0|1,0,0]=3 11254 B17R0.5782 CCCCCCCCC(C)OCC(=O)OCCC 34a_100000210740_200011215008 [0,2,0,0,0,0|2,0,0]=4 11255 B17R0.5782 CCCCCCCCC(C)OCC(=O)OCCC 7a_100000210740_200011215008 [0,2,0,0,0,0|2,0,0]=4 11256 B17R0.5782 CCCCCCCNC(=O)CCC(=O)NCCC 11a_100000229938_100000199543 [0,2,0,0,0,0|1,0,1]=4 11257 B17R0.5782 CCCCCCCNC(=O)CCC(=O)NCCC 1626a_100000229938_100000199543 [0,2,0,0,0,0|1,0,1]=4 11258 B17R0.5782 CCCCCCCNC(=O)CCC(=O)NCCC 240690a_100000229938_100000199543 [0,2,0,0,0,0|1,0,1]=4 11259 B17R0.5782 CCCCCCCNC(=O)CCC(=O)NCCC 527a_100000229938_100000199543 [0,2,0,0,0,0|1,0,1]=4 11260 B17R0.5782 CCCNC(=O)CCC(=O)CCCCCCCO 1458a_100000199543_100000760002 [0,2,0,0,0,0|1,0,1]=4 11261 B17R0.5782 CCCNC(=O)CCC(=O)CCCCCCOC 1458a_100000199543_100011998445 [0,2,0,0,0,0|1,0,1]=4 11262 B17R0.5956 CCCCCCCC(=O)C(C)CCC(=O)OCC 1458a_100000211969_100000748298 [0,2,0,0,0,0|1,0,1]=4 11263 B17R0.5956 CCCCCCCC(C)C(=O)CCC(=O)NCC 1458a_100000199579_200011218727 [0,2,0,0,0,0|0,0,1]=3 11264 B17R0.5956 CCCCCCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200011218727 [0,2,0,0,0,0|1,0,1]=4 11265 B17R0.5956 CCCCCCCC(C)N(C)CCC(=O)OCC 2230a_100000745921_200011218727 [0,2,0,0,0,0|2,0,0]=4 11266 B17R0.5956 CCCCCCCC(C)N(C)CCC(=O)OCC 269982a_100000745921_200011218727 [0,2,0,0,0,0|2,0,0]=4 11267 B17R0.5956 CCCCCCCN(C)C(=O)CCC(=O)NCC 11a_100000228206_100000199579 [0,2,0,0,0,0|1,0,1]=4 11268 B17R0.5956 CCCCCCCN(C)C(=O)CCC(=O)NCC 1626a_100000228206_100000199579 [0,2,0,0,0,0|1,0,1]=4 11269 B17R0.5956 CCCCCCCN(C)C(=O)CCC(=O)NCC 240690a_100000228206_100000199579 [0,2,0,0,0,0|1,0,1]=4 11270 B17R0.5956 CCCCCCCN(C)C(C)CCC(=O)OCC 2230a_100000228206_100000748298 [0,2,0,0,0,0|2,0,0]=4 11271 B17R0.5956 CCCCCCCN(C)C(C)CCC(=O)OCC 269982a_100000228206_100000748298 [0,2,0,0,0,0|2,0,0]=4 11272 B17R0.5991 CCCCCCCCC(CC)NCC(=O)NCC 270004a_100016988866_200011217995 [0,2,0,0,0,0|1,0,0]=3 11273 B17R0.5991 CCCCCCCCC(CC)OCC(=O)CCC 7a_200011216270_100000747444 [0,2,0,0,0,0|2,0,0]=4 11274 B17R0.5991 CCCCCCCCC(CC)OCC(=O)NCC 34a_200011216270_100000183381 [0,2,0,0,0,0|1,0,0]=3 11275 B17R0.5991 CCCCCCCCC(CC)OCC(=O)NCC 7a_200011216270_100000183381 [0,2,0,0,0,0|1,0,0]=3 11276 B17R0.5991 CCCCCCCCC(CC)OCC(=O)NCO 34a_200011216270_100000185155 [0,2,0,0,0,0|2,0,0]=4 11277 B17R0.5991 CCCCCCCCC(CC)OCC(=O)NCO 7a_200011216270_100000185155 [0,2,0,0,0,0|2,0,0]=4 11278 B17R0.5991 CCCCCCCCC(CC)OCC(=O)OCC 34a_200011216270_100000188475 [0,2,0,0,0,0|2,0,0]=4 11279 B17R0.5991 CCCCCCCCC(CC)OCC(=O)OCC 7a_200011216270_100000188475 [0,2,0,0,0,0|2,0,0]=4 11280 B17R0.5991 CCCCCCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210759 [0,2,0,0,0,0|2,0,0]=4 11281 B17R0.5991 CCCCCCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210759 [0,2,0,0,0,0|2,0,0]=4 11282 B17R0.6111 CCCCCC(C)CCC(=O)NCC(=O)NCC 11a_100016988866_100000034243 [0,2,0,0,0,0|1,0,1]=4 11283 B17R0.6111 CCCCCC(C)CCC(=O)NCC(=O)NCC 1626a_100016988866_100000034243 [0,2,0,0,0,0|1,0,1]=4 11284 B17R0.6111 CCCCCC(C)CCC(=O)NCC(=O)NCC 240690a_100016988866_100000034243 [0,2,0,0,0,0|1,0,1]=4 11285 B17R0.6111 CCCCCC(C)CCC(=O)NCC(=O)NCC 527a_100016988866_100000034243 [0,2,0,0,0,0|1,0,1]=4 11286 B17R0.79 CCCCCCCC(C)OC(C)CC(=O)OCC 7a_200011215852_100009817359 [0,2,0,0,0,0|2,0,0]=4 11287 B17R0.79 CCCCCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011218727 [0,2,0,0,0,0|2,0,0]=4 11288 B17R0.79 CCCCCCCC(C)SC(C)CC(=O)OCC 62a_100009817359_200011218727 [0,2,0,0,0,0|2,0,0]=4 11289 B17R0.79 CCCCCCCC(C)SC(C)CC(=O)OCC 62a_200011218727_100009817359 [0,2,0,0,0,0|2,0,0]=4 11290 B17R0.79 CCCCCCCC(O)CC(=O)CC(=O)CCC 1458a_200011667753_100000747444 [0,2,0,0,0,0|1,0,1]=4 11291 B17R0.79 CCCCCCCC(O)CC(=O)CC(=O)NCC 1458a_200011667753_100000183381 [0,2,0,0,0,0|0,0,1]=3 11292 B17R0.79 CCCCCCCC(O)CC(=O)CC(=O)NCO 1458a_200011667753_100000185155 [0,2,0,0,0,0|1,0,1]=4 11293 B17R0.79 CCCCCCCC(O)CC(=O)CC(=O)OCC 1458a_200011667753_100000188475 [0,2,0,0,0,0|1,0,1]=4 11294 B17R0.79 CCCCCCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000228206_100000688340 [0,2,0,0,0,0|2,0,0]=4 11295 B17R0.114 CC(C)NC(=O)CN(C)CCCCCCCCO 2230a_100000168146_100000033203 [0,2,0,0,0,0|2,0,0]=4 11296 B17R0.114 CC(C)NC(=O)CN(C)CCCCCCCCO 269982a_100000168146_100000033203 [0,2,0,0,0,0|2,0,0]=4 11297 B17R0.114 CCCCCCCCCC(=O)CC(=O)NC(=O)C 1458a_100000210558_100000183797 [0,2,0,0,0,0|0,0,2]=4 11298 B17R0.114 CCCCCCCCCC(=O)CC(=O)NC(C)C 1458a_100000210558_100000183996 [0,2,0,0,0,0|0,0,1]=3 11299 B17R0.114 CCCCCCCCCC(=O)CC(=O)OC(C)C 1458a_100000210558_100011215430 [0,2,0,0,0,0|1,0,1]=4 11300 B17R0.114 CCCCCCCCCC(O)CC(=O)NC(C)C 1626a_100138425928_200012339438 [0,2,0,0,0,0|0,0,0]=2 11301 B17R0.114 CCCCCCCCCC(O)CC(=O)NC(C)C 240690a_100138425928_200012339438 [0,2,0,0,0,0|0,0,0]=2 11302 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(=O)C 269982a_100000232482_100000183797 [0,2,0,0,0,0|1,0,1]=4 11303 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100011214924 [0,2,0,0,0,0|1,0,0]=3 11304 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 2230a_100000232482_100000183996 [0,2,0,0,0,0|1,0,0]=3 11305 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210670 [0,2,0,0,0,0|1,0,0]=3 11306 B17R0.114 CCCCCCCCCN(C)CC(=O)NC(C)C 269982a_100000232482_100000183996 [0,2,0,0,0,0|1,0,0]=3 11307 B17R0.114 CCCCCCCCCN(C)CC(=O)OC(C)C 2230a_100000232482_100011215430 [0,2,0,0,0,0|2,0,0]=4 11308 B17R0.114 CCCCCCCCCN(C)CC(=O)OC(C)C 269982a_100000232482_100011215430 [0,2,0,0,0,0|2,0,0]=4 11309 B17R0.262 CCOC(=O)CC(C)OCCCCCC(C)CC 7a_200000035636_100009817359 [0,2,0,0,0,0|2,0,0]=4 11310 B17R0.8802 CCCCCCCCCC(=O)C(C)C(=O)NCC 1458a_100000210558_100000230173 [0,2,0,0,0,0|0,0,1]=3 11311 B17R0.8802 CCCCCCCCCC(=O)C(C)C(=O)OCC 1458a_100000210558_100011216346 [0,2,0,0,0,0|1,0,1]=4 11312 B17R0.8802 CCCCCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210670 [0,2,0,0,0,0|1,0,1]=4 11313 B17R0.8802 CCCCCCCCCC(=O)C(F)C(=O)OCC 1458a_100000210558_100000760018 [0,2,0,0,0,0|1,0,1]=4 11314 B17R0.8802 CCCCCCCCCN(C)C(=O)C(=O)NCC 1626a_100000232482_200011297158 [0,2,0,0,0,0|1,0,1]=4 11315 B17R0.8802 CCCCCCCCCN(C)C(=O)C(=O)NCC 240690a_100000232482_200011297158 [0,2,0,0,0,0|1,0,1]=4 11316 B17R0.8802 CCCCCCCCCN(C)C(=O)C(=O)NCC 527a_100000232482_200011297158 [0,2,0,0,0,0|1,0,1]=4 11317 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)NCC 2230a_100000232482_100000230173 [0,2,0,0,0,0|1,0,0]=3 11318 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)NCC 269982a_100000232482_100000230173 [0,2,0,0,0,0|1,0,0]=3 11319 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)OCC 2230a_100000232482_100011215307 [0,2,0,0,0,0|2,0,0]=4 11320 B17R0.8802 CCCCCCCCCN(C)C(C)C(=O)OCC 269982a_100000232482_100011216346 [0,2,0,0,0,0|2,0,0]=4 11321 B17R0.8802 CCCCCCCCCN(C)C(F)C(=O)OCC 2230a_100000232482_100000760018 [0,2,0,0,0,0|2,0,0]=4 11322 B17R0.8802 CCCCCCCCCN(C)C(F)C(=O)OCC 269982a_100000232482_100000760018 [0,2,0,0,0,0|2,0,0]=4 11323 B17R0.12198 CCCCCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100011214924 [0,2,0,0,0,0|2,0,0]=4 11324 B17R0.12198 CCCCCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210670 [0,2,0,0,0,0|2,0,0]=4 11325 B17R0.12198 CCCCCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210759 [0,2,0,0,0,0|2,0,0]=4 11326 B17R0.14268 C#CCNC(=O)CC(O)CCCCCCCCC 1626a_100000212058_200012339438 [0,2,0,0,0,0|0,0,1]=3 11327 B17R0.14268 C#CCNC(=O)CC(O)CCCCCCCCC 240690a_100000212058_200012339438 [0,2,0,0,0,0|0,0,1]=3 11328 B17R0.14268 C=CCNC(=O)CC(=O)CCCCCCCCC 1458a_100000210558_100000183597 [0,2,0,0,0,0|0,0,2]=4 11329 B17R0.14268 C=CCNC(=O)CC(O)CCCCCCCCC 1626a_100020586998_200012339438 [0,2,0,0,0,0|0,0,1]=3 11330 B17R0.14268 C=CCNC(=O)CC(O)CCCCCCCCC 240690a_100020586998_200012339438 [0,2,0,0,0,0|0,0,1]=3 11331 B17R0.14268 C=CCNC(=O)CN(C)CCCCCCCCC 2230a_100000232482_100000183597 [0,2,0,0,0,0|1,0,1]=4 11332 B17R0.14268 C=CCNC(=O)CN(C)CCCCCCCCC 269982a_100000232482_100000183597 [0,2,0,0,0,0|1,0,1]=4 11333 B17R0.14268 CCCCCCCCCC(=O)CC(=O)NCC#N 1458a_100000210558_100000736037 [0,2,0,0,0,0|0,0,2]=4 11334 B17R0.14268 CCCCCCCCCC(=O)CC(=O)NCCC 1458a_100000210558_100000183358 [0,2,0,0,0,0|0,0,1]=3 11335 B17R0.14268 CCCCCCCCCC(=O)CC(=O)OCCC 1458a_100000210558_200011215008 [0,2,0,0,0,0|1,0,1]=4 11336 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCC#N 1626a_100000734998_200012339438 [0,2,0,0,0,0|0,0,1]=3 11337 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCC 1626a_100020643023_200012339438 [0,2,0,0,0,0|0,0,0]=2 11338 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCC 240690a_100020643023_200012339438 [0,2,0,0,0,0|0,0,0]=2 11339 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCF 1626a_100000724931_200012339438 [0,2,0,0,0,0|0,0,0]=2 11340 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCF 240690a_100000724931_200012339438 [0,2,0,0,0,0|0,0,0]=2 11341 B17R0.14268 CCCCCCCCCC(O)CC(=O)NCCO 240690a_100000210304_200012339438 [0,2,0,0,0,0|0,0,0]=2 11342 B17R0.14268 CCCCCCCCCC(O)CC(=O)NNCC 22a_100000756455_200012339438 [0,2,0,0,0,0|0,0,0]=2 11343 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCC#N 2230a_100000232482_100000736037 [0,2,0,0,0,0|1,0,1]=4 11344 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCC#N 269982a_100000232482_100000736037 [0,2,0,0,0,0|1,0,1]=4 11345 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 2230a_100000232482_100000183358 [0,2,0,0,0,0|1,0,0]=3 11346 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100011214924 [0,2,0,0,0,0|1,0,0]=3 11347 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 269982a_100000232482_100000183358 [0,2,0,0,0,0|1,0,0]=3 11348 B17R0.14268 CCCCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210670 [0,2,0,0,0,0|1,0,0]=3 11349 B17R0.14268 CCCCCCCCCN(C)CC(=O)OCCC 2230a_100000232482_200011215008 [0,2,0,0,0,0|2,0,0]=4 11350 B17R0.14268 CCCCCCCCCN(C)CC(=O)OCCC 269982a_100000232482_200011215008 [0,2,0,0,0,0|2,0,0]=4 11351 B17R0.14268 CCCNC(=O)CN(C)CCCCCCCCO 2230a_100000684209_100000033203 [0,2,0,0,0,0|2,0,0]=4 11352 B17R0.14268 CCCNC(=O)CN(C)CCCCCCCCO 269982a_100000684209_100000033203 [0,2,0,0,0,0|2,0,0]=4 11353 B17R0.14349 CCCCCCC(C)NC[C@@H](O)CC(=O)OCC 34a_100000210919_100000688340 [0,2,0,0,0,0|2,0,0]=4 11354 B17R0.14349 CCCCCCC(C)OC[C@@H](O)CC(=O)OCC 34a_100000210265_100000688340 [0,2,0,0,0,0|2,0,0]=4 11355 B17R0.14349 CCCCCCC(C)OC[C@@H](O)CC(=O)OCC 7a_100000210265_100000688340 [0,2,0,0,0,0|2,0,0]=4 11356 B17R0.14349 CCCCCCC(C)SC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215978 [0,2,0,0,0,0|2,0,0]=4 11357 B17R0.14349 CCCCCCC(C)SC[C@@H](O)CC(=O)OCC 62a_100011215978_100000688340 [0,2,0,0,0,0|2,0,0]=4 11358 B17R0.41417 CCCCCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210759 [0,2,0,0,0,0|2,0,0]=4 11359 B17R0.135 CCCCCCC(C)CCOCC(=O)NC(=O)C 7a_200011024964_100000183797 [0,2,0,0,0,0|1,0,1]=4 11360 B17R0.135 CCCCCCC(C)CCOCC(=O)NC(C)C 34a_200011024964_100000183996 [0,2,0,0,0,0|1,0,0]=3 11361 B17R0.135 CCCCCCC(C)CCOCC(=O)NC(C)C 7a_200011024964_100000183996 [0,2,0,0,0,0|1,0,0]=3 11362 B17R0.135 CCCCCCC(C)CCOCC(=O)OC(C)C 34a_200011024964_100011215430 [0,2,0,0,0,0|2,0,0]=4 11363 B17R0.135 CCCCCCC(C)CCOCC(=O)OC(C)C 7a_200011024964_100011215430 [0,2,0,0,0,0|2,0,0]=4 11364 B17R0.140 CCCCCCC(C)CCOC(C)C(=O)NCC 34a_200011024964_100000230173 [0,2,0,0,0,0|1,0,0]=3 11365 B17R0.140 CCCCCCC(C)CCOC(C)C(=O)NCC 7a_200011024964_100000230173 [0,2,0,0,0,0|1,0,0]=3 11366 B17R0.140 CCCCCCC(C)CCOC(C)C(=O)OCC 34a_200011024964_100011216346 [0,2,0,0,0,0|2,0,0]=4 11367 B17R0.140 CCCCCCC(C)CCOC(C)C(=O)OCC 7a_200011024964_100011216346 [0,2,0,0,0,0|2,0,0]=4 11368 B17R0.140 CCCCCCC(C)CCOC(F)C(=O)OCC 34a_200011024964_100000760018 [0,2,0,0,0,0|2,0,0]=4 11369 B17R0.140 CCCCCCC(C)CCOC(F)C(=O)OCC 7a_200011024964_100000040065 [0,2,0,0,0,0|2,0,0]=4 11370 B17R0.3093 CCCCCC(C)C(=O)CCCCC(=O)OCC 1458a_100011215998_100000750268 [0,2,0,0,0,0|1,0,1]=4 11371 B17R0.3093 CCCCCC(C)C(=O)CCCCC(=O)OCC 1458a_100011217402_200011218191 [0,2,0,0,0,0|1,0,1]=4 11372 B17R0.5508 C=CC(CCCCCC)OCCCC(=O)OCC 34a_200011215977_100009991533 [0,2,0,0,0,0|2,0,0]=4 11373 B17R0.5508 C=CC(CCCCCC)OCCCC(=O)OCC 7a_200011215977_100011215271 [0,2,0,0,0,0|2,0,0]=4 11374 B17R0.5508 CCCCCCC(CC)OCCCC(=O)OCC 34a_100011215785_100009991533 [0,2,0,0,0,0|2,0,0]=4 11375 B17R0.5508 CCCCCCC(CC)OCCCC(=O)OCC 7a_100011215785_100011215271 [0,2,0,0,0,0|2,0,0]=4 11376 B17R0.8625 C=CCNC(=O)COCCC(C)CCCCCC 7a_200011024964_100000183597 [0,2,0,0,0,0|1,0,1]=4 11377 B17R0.8625 CCCCCCC(C)CCOCC(=O)NCC#N 7a_200011024964_100000736037 [0,2,0,0,0,0|1,0,1]=4 11378 B17R0.8625 CCCCCCC(C)CCOCC(=O)NCCC 34a_200011024964_100000183358 [0,2,0,0,0,0|1,0,0]=3 11379 B17R0.8625 CCCCCCC(C)CCOCC(=O)NCCC 7a_200011024964_100000183358 [0,2,0,0,0,0|1,0,0]=3 11380 B17R0.8625 CCCCCCC(C)CCOCC(=O)OCCC 34a_200011024964_200011215008 [0,2,0,0,0,0|2,0,0]=4 11381 B17R0.8625 CCCCCCC(C)CCOCC(=O)OCCC 7a_200011024964_200011215008 [0,2,0,0,0,0|2,0,0]=4 11382 B17R0.8625 CCCCCCC(C)NCCCC(=O)NCCC 2230a_100000210919_100011194427 [0,2,0,0,0,0|1,0,0]=3 11383 B17R0.8625 CCCCCCC(C)OCCCC(=O)NCCC 7a_100000210265_100011194427 [0,2,0,0,0,0|1,0,0]=3 11384 B17R0.8625 CCCCCCC(C)SCCCC(=O)NCCC 62a_100011194427_100011215978 [0,2,0,0,0,0|1,0,0]=3 11385 B17R0.8625 CCCCCCC(C)SCCCC(=O)NCCC 62a_100011215978_100011194427 [0,2,0,0,0,0|1,0,0]=3 11386 B17R0.8625 CCCCOCC(C)OCCCC(=O)NCCC 7a_100011217071_100011194427 [0,2,0,0,0,0|2,0,0]=4 11387 B17R0.13867 CCCCCCC(C)(C)OCCCC(=O)OCC 7a_200011995690_100011215271 [0,2,0,0,0,0|2,0,0]=4 11388 B17R0.14207 CCCCCCC(C)C(=O)CCCC(=O)NCC 1458a_100000199580_100011215978 [0,2,0,0,0,0|0,0,1]=3 11389 B17R0.14207 CCCCCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210991_100011215978 [0,2,0,0,0,0|1,0,1]=4 11390 B17R0.14207 CCCCCCC(O)C(=O)CCCC(=O)OCC 1458a_100011215828_100011215271 [0,2,0,0,0,0|1,0,1]=4 11391 B17R0.14207 CCCCCCC(O)C(=O)NCCC(=O)NCC 240690a_100025743525_100011215828 [0,2,0,0,0,0|1,0,1]=4 11392 B17R0.14207 CCCCCCN(C)C(=O)CCCC(=O)NCC 11a_106256046315_100000199580 [0,2,0,0,0,0|1,0,1]=4 11393 B17R0.14207 CCCCCCN(C)C(=O)CCCC(=O)NCC 1626a_106256046315_100000199580 [0,2,0,0,0,0|1,0,1]=4 11394 B17R0.14207 CCCCCCN(C)C(=O)CCCC(=O)NCC 240690a_106256046315_100000199580 [0,2,0,0,0,0|1,0,1]=4 11395 B17R0.14207 CCCCCCN(C)C(=O)CCCC(=O)NCC 527a_106256046315_100000199580 [0,2,0,0,0,0|1,0,1]=4 11396 B17R0.174 CCCCC(C)CCCCOCC(=O)NC(=O)C 7a_200011021034_100000183797 [0,2,0,0,0,0|1,0,1]=4 11397 B17R0.174 CCCCC(C)CCCCOCC(=O)NC(C)C 34a_200011021034_100000183996 [0,2,0,0,0,0|1,0,0]=3 11398 B17R0.174 CCCCC(C)CCCCOCC(=O)NC(C)C 7a_200011021034_100000183996 [0,2,0,0,0,0|1,0,0]=3 11399 B17R0.174 CCCCC(C)CCCCOCC(=O)OC(C)C 34a_200011021034_100011215430 [0,2,0,0,0,0|2,0,0]=4 11400 B17R0.174 CCCCC(C)CCCCOCC(=O)OC(C)C 7a_200011021034_100011215430 [0,2,0,0,0,0|2,0,0]=4 11401 B17R0.174 CCCCC(C)NCCCCCC(=O)OC(C)C 2230a_100000126638_200010986244 [0,2,0,0,0,0|2,0,0]=4 11402 B17R0.174 CCCCC(C)OCCCCCC(=O)OC(C)C 34a_100000687866_200010986244 [0,2,0,0,0,0|2,0,0]=4 11403 B17R0.174 CCCCC(C)OCCCCCC(=O)OC(C)C 7a_100000687866_200010986244 [0,2,0,0,0,0|2,0,0]=4 11404 B17R0.174 CCCCC(C)SCCCCCC(=O)OC(C)C 62a_200010986244_200011215066 [0,2,0,0,0,0|2,0,0]=4 11405 B17R0.174 CCCCC(C)SCCCCCC(=O)OC(C)C 62a_200011215066_200010986244 [0,2,0,0,0,0|2,0,0]=4 11406 B17R0.908 CCCCC(C)(C)COCCCCC(=O)OCC 7a_200011995781_100000750268 [0,2,0,0,0,0|2,0,0]=4 11407 B17R0.908 CCCCC(C)(C)OCCCCCC(=O)OCC 7a_100011219641_100000755133 [0,2,0,0,0,0|2,0,0]=4 11408 B17R0.2041 CCOC(=O)CCCCCCC(=O)CC(C)CC 1458a_100000031895_100000748023 [0,2,0,0,0,0|1,0,1]=4 11409 B17R0.2041 CCOC(=O)CCCCCCC(=O)CC(C)CC 1458a_100000708755_100009814379 [0,2,0,0,0,0|1,0,1]=4 11410 B17R0.2041 CCOC(=O)CCCCCCC(=O)CC(O)CC 1458a_100000031895_100011218378 [0,2,0,0,0,0|1,0,1]=4 11411 B17R0.2041 CCOC(=O)CCCCCCC(=O)CC(O)CC 1458a_100011667805_100009814379 [0,2,0,0,0,0|1,0,1]=4 11412 B17R0.2041 CCOC(=O)CCCCCCC(=O)C[C@@H](C)CC 1458a_100000031895_100009816398 [0,2,0,0,0,0|1,0,1]=4 11413 B17R0.2041 CCOC(=O)CCCCCCN(C)CC(C)CC 2230a_100000753921_100009814379 [0,2,0,0,0,0|2,0,0]=4 11414 B17R0.2041 CCOC(=O)CCCCCCN(C)CC(C)CC 269982a_100000753921_100009814379 [0,2,0,0,0,0|2,0,0]=4 11415 B17R0.2041 CCOC(=O)CCCCCNC(C)CC(C)CC 2230a_100000763565_100000755133 [0,2,0,0,0,0|2,0,0]=4 11416 B17R0.3263 CCCCC(C)C(=O)CCCCCC(=O)OCC 1458a_100000037472_200011215066 [0,2,0,0,0,0|1,0,1]=4 11417 B17R0.3263 CCCCC(C)C(=O)CCCCCC(=O)OCC 1458a_100000725509_100000755133 [0,2,0,0,0,0|1,0,1]=4 11418 B17R0.3263 CCCCC(O)C(=O)CCCCCC(=O)OCC 1458a_100000720857_100000755133 [0,2,0,0,0,0|1,0,1]=4 11419 B17R0.8052 C=CCNC(=O)COCCCCC(C)CCCC 7a_200011021034_100000183597 [0,2,0,0,0,0|1,0,1]=4 11420 B17R0.8052 CCCCC(C)CCCCOCC(=O)NCC#N 7a_200011021034_100000736037 [0,2,0,0,0,0|1,0,1]=4 11421 B17R0.8052 CCCCC(C)CCCCOCC(=O)NCCC 34a_200011021034_100000183358 [0,2,0,0,0,0|1,0,0]=3 11422 B17R0.8052 CCCCC(C)CCCCOCC(=O)NCCC 7a_200011021034_100000183358 [0,2,0,0,0,0|1,0,0]=3 11423 B17R0.8052 CCCCC(C)CCCCOCC(=O)OCCC 34a_200011021034_200011215008 [0,2,0,0,0,0|2,0,0]=4 11424 B17R0.8052 CCCCC(C)CCCCOCC(=O)OCCC 7a_200011021034_200011215008 [0,2,0,0,0,0|2,0,0]=4 11425 B17R0.8094 CCCCC(C)CCC(=O)CCCC(=O)OCC 1458a_100000033779_100011215271 [0,2,0,0,0,0|1,0,1]=4 11426 B17R0.8094 CCCCC(C)CCC(=O)NCCC(=O)NCC 11a_100025743525_100000033779 [0,2,0,0,0,0|1,0,1]=4 11427 B17R0.8094 CCCCC(C)CCC(=O)NCCC(=O)NCC 1626a_100025743525_100000033779 [0,2,0,0,0,0|1,0,1]=4 11428 B17R0.8094 CCCCC(C)CCC(=O)NCCC(=O)NCC 240690a_100025743525_100000033779 [0,2,0,0,0,0|1,0,1]=4 11429 B17R0.8094 CCCCC(C)CCC(=O)NCCC(=O)NCC 527a_100025743525_100000033779 [0,2,0,0,0,0|1,0,1]=4 11430 B17R0.14209 C#CC(CCCC)OCCCCCC(=O)OCC 34a_200011217967_100000755133 [0,2,0,0,0,0|2,0,0]=4 11431 B17R0.14209 C#CC(CCCC)OCCCCCC(=O)OCC 7a_200011217967_100000755133 [0,2,0,0,0,0|2,0,0]=4 11432 B17R0.14209 C=CC(CCCC)OCCCCCC(=O)OCC 34a_200011215037_100000755133 [0,2,0,0,0,0|2,0,0]=4 11433 B17R0.14209 C=CC(CCCC)OCCCCCC(=O)OCC 7a_200011215037_100000755133 [0,2,0,0,0,0|2,0,0]=4 11434 B17R0.14209 CCCCC(CC)CCCCNCC(=O)NCC 2230a_100016988866_200012094884 [0,2,0,0,0,0|1,0,0]=3 11435 B17R0.14209 CCCCC(CC)CCCCSCC(=O)CCC 62a_100000747444_200012094884 [0,2,0,0,0,0|2,0,0]=4 11436 B17R0.14209 CCCCC(CC)CCCCSCC(=O)CCC 62a_200012094884_100000747444 [0,2,0,0,0,0|2,0,0]=4 11437 B17R0.14209 CCCCC(CC)CCCCSCC(=O)NCC 62a_100000183381_200012094884 [0,2,0,0,0,0|1,0,0]=3 11438 B17R0.14209 CCCCC(CC)CCCCSCC(=O)NCC 62a_200012094884_100000183381 [0,2,0,0,0,0|1,0,0]=3 11439 B17R0.14209 CCCCC(CC)CCCCSCC(=O)NCO 62a_100000185155_200012094884 [0,2,0,0,0,0|2,0,0]=4 11440 B17R0.14209 CCCCC(CC)CCCCSCC(=O)NCO 62a_200012094884_100000185155 [0,2,0,0,0,0|2,0,0]=4 11441 B17R0.14209 CCCCC(CC)CCCCSCC(=O)OCC 62a_100000188475_200012094884 [0,2,0,0,0,0|2,0,0]=4 11442 B17R0.14209 CCCCC(CC)CCCCSCC(=O)OCC 62a_200012094884_100000188475 [0,2,0,0,0,0|2,0,0]=4 11443 B17R0.14209 CCCCC(CC)CNCCCCC(=O)OCC 2230a_100000209976_100000750268 [0,2,0,0,0,0|2,0,0]=4 11444 B17R0.14209 CCCCC(CC)COCCCCC(=O)OCC 34a_100000210273_100000750268 [0,2,0,0,0,0|2,0,0]=4 11445 B17R0.14209 CCCCC(CC)COCCCCC(=O)OCC 7a_100000210273_100000750268 [0,2,0,0,0,0|2,0,0]=4 11446 B17R0.14209 CCCCC(CC)COCCCNC(=O)NCC 2708a_100015525214_200011218343 [0,2,0,0,0,0|2,0,0]=4 11447 B17R0.14209 CCCCC(CC)COCCCNC(=O)NCC 2708a_200011218343_100015525214 [0,2,0,0,0,0|2,0,0]=4 11448 B17R0.14209 CCCCC(CC)COCCCNC(=O)NCC 273464a_100015525214_200011218343 [0,2,0,0,0,0|2,0,0]=4 11449 B17R0.14209 CCCCC(CC)COCCCNC(=O)NCC 273464a_200011218343_100015525214 [0,2,0,0,0,0|2,0,0]=4 11450 B17R0.14209 CCCCC(CC)COCCCNC(=O)NCC 512a_100015525214_200011218343 [0,2,0,0,0,0|2,0,0]=4 11451 B17R0.14209 CCCCC(CC)COCCCNC(=O)NCC 512a_200011218343_100015525214 [0,2,0,0,0,0|2,0,0]=4 11452 B17R0.14209 CCCCC(CC)CSCCCCC(=O)OCC 62a_100000211942_100000750268 [0,2,0,0,0,0|2,0,0]=4 11453 B17R0.14209 CCCCC(CC)CSCCCCC(=O)OCC 62a_100000750268_100000211942 [0,2,0,0,0,0|2,0,0]=4 11454 B17R0.14209 CCCCC(CC)OCCCCCC(=O)OCC 34a_100011215227_100000755133 [0,2,0,0,0,0|2,0,0]=4 11455 B17R0.14209 CCCCC(CC)OCCCCCC(=O)OCC 7a_100011214988_200011216223 [0,2,0,0,0,0|2,0,0]=4 11456 B17R0.14209 CCCCC(CC)OCCCCCC(=O)OCC 7a_100011215227_100000755133 [0,2,0,0,0,0|2,0,0]=4 11457 B17R0.14209 CCCCC(CC)SCCCCCC(=O)OCC 62a_100000755133_200011216223 [0,2,0,0,0,0|2,0,0]=4 11458 B17R0.14209 CCCCC(CC)SCCCCCC(=O)OCC 62a_200011216223_100000755133 [0,2,0,0,0,0|2,0,0]=4 11459 B17R0.14209 CCCCN(CC)CCCCCCC(=O)OCC 2230a_100000207695_100009814379 [0,2,0,0,0,0|2,0,0]=4 11460 B17R0.14209 CCCCN(CC)CCCCCCC(=O)OCC 269982a_100000207695_100009814379 [0,2,0,0,0,0|2,0,0]=4 11461 B17R0.14209 CCCCN(CCCCOCC(=O)NCC)N=O 34a_200000034022_100000183381 [0,2,0,0,0,0|2,0,0]=4 11462 B17R0.14209 CCCCN(CCCCOCC(=O)NCC)N=O 7a_200000034022_100000183381 [0,2,0,0,0,0|2,0,0]=4 11463 B17R0.14209 CCCC[C@@H](CO)NCCCCCC(=O)OCC 2230a_100011934283_100000755133 [0,2,0,0,0,0|2,0,0]=4 11464 B17R0.14209 CCCC[C@@H](CO)NCCCCCC(=O)OCC 34a_100011934283_100000755133 [0,2,0,0,0,0|2,0,0]=4 11465 B17R0.14302 CCCCC(C)CCCCOC(C)C(=O)NCC 34a_200011021034_100000230173 [0,2,0,0,0,0|1,0,0]=3 11466 B17R0.14302 CCCCC(C)CCCCOC(C)C(=O)NCC 7a_200011021034_100000230173 [0,2,0,0,0,0|1,0,0]=3 11467 B17R0.14302 CCCCC(C)CCCCOC(C)C(=O)OCC 34a_200011021034_100011216346 [0,2,0,0,0,0|2,0,0]=4 11468 B17R0.14302 CCCCC(C)CCCCOC(C)C(=O)OCC 7a_200011021034_100011216346 [0,2,0,0,0,0|2,0,0]=4 11469 B17R0.14302 CCCCC(C)CCCCOC(F)C(=O)OCC 34a_200011021034_100000760018 [0,2,0,0,0,0|2,0,0]=4 11470 B17R0.14302 CCCCC(C)CCCCOC(F)C(=O)OCC 7a_200011021034_100000040065 [0,2,0,0,0,0|2,0,0]=4 11471 B17R0.13599 CCCCCCCCCCCC(=NNCC)CC 4a_100000756455_100011216094 [0,2,0,0,0,0|1,0,0]=3 11472 B17R0.13599 CCCCCCCCCCCC(CC)NCCC 270004a_100020643023_100011216094 [0,2,0,0,0,0|1,0,1]=4 11473 B17R0.13599 CCCCCCCCCCCC(CC)NCCO 270004a_100000210304_100011216094 [0,2,0,0,0,0|1,0,1]=4 11474 B17R0.183 CCCCCC(=O)CCCCCC(=O)OC(C)C 1458a_100000212188_200010986244 [0,2,0,0,0,0|1,0,1]=4 11475 B17R0.183 CCCCCN(C)CCCCCC(=O)OC(C)C 2230a_100000223495_200010986244 [0,2,0,0,0,0|2,0,0]=4 11476 B17R0.183 CCCCCN(C)CCCCCC(=O)OC(C)C 269982a_100000223495_200010986244 [0,2,0,0,0,0|2,0,0]=4 11477 B17R0.3277 C#CC(CCCCC)OCCCCC(=O)OCC 34a_100011216489_100000750268 [0,2,0,0,0,0|2,0,0]=4 11478 B17R0.3277 C#CC(CCCCC)OCCCCC(=O)OCC 7a_100011216489_100000750268 [0,2,0,0,0,0|2,0,0]=4 11479 B17R0.3277 C=CC(CCCCC)OCCCCC(=O)OCC 34a_100011216863_100000750268 [0,2,0,0,0,0|2,0,0]=4 11480 B17R0.3277 C=CC(CCCCC)OCCCCC(=O)OCC 7a_100011216863_100000750268 [0,2,0,0,0,0|2,0,0]=4 11481 B17R0.3277 CCCCCC(CC)OCCCCC(=O)OCC 34a_100011215405_100000750268 [0,2,0,0,0,0|2,0,0]=4 11482 B17R0.3277 CCCCCC(CC)OCCCCC(=O)OCC 7a_100011215405_100000750268 [0,2,0,0,0,0|2,0,0]=4 11483 B17R0.4261 CCOC(=O)CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000755133 [0,2,0,0,0,0|1,0,1]=4 11484 B17R0.4261 CCOC(=O)CCCCOC(C)CCC(C)CC 7a_200011216552_100000750268 [0,2,0,0,0,0|2,0,0]=4 11485 B17R0.9529 CCCCCC(=O)CC(=O)CCCC(=O)NCC 1458a_100000199580_200012276598 [0,2,0,0,0,0|0,0,2]=4 11486 B17R0.9529 CCCCCC(C)NC(=O)CCCC(=O)NCC 11a_100000211957_100000199580 [0,2,0,0,0,0|1,0,1]=4 11487 B17R0.9529 CCCCCC(C)NC(=O)CCCC(=O)NCC 1626a_100000211957_100000199580 [0,2,0,0,0,0|1,0,1]=4 11488 B17R0.9529 CCCCCC(C)NC(=O)CCCC(=O)NCC 240690a_100000211957_100000199580 [0,2,0,0,0,0|1,0,1]=4 11489 B17R0.9529 CCCCCC(C)NC(=O)CCCC(=O)NCC 527a_100000211957_100000199580 [0,2,0,0,0,0|1,0,1]=4 11490 B17R0.13714 CCCCCC(=O)CSCCCC(=O)NCCC 62a_100011194427_200012276598 [0,2,0,0,0,0|1,0,1]=4 11491 B17R0.13714 CCCCCC(=O)CSCCCC(=O)NCCC 62a_200012276598_100011194427 [0,2,0,0,0,0|1,0,1]=4 11492 B17R0.186 CCC(C)CCCCCOCCC(=O)NC(C)C 7a_200000035636_100000737564 [0,2,0,0,0,0|1,0,0]=3 11493 B17R0.186 CCC(C)CCCCCOCCC(=O)OC(C)C 7a_200000035636_100000760027 [0,2,0,0,0,0|2,0,0]=4 11494 B17R0.186 CCC(C)CCNCCCCCC(=O)OC(C)C 2230a_100020591266_200010986244 [0,2,0,0,0,0|2,0,0]=4 11495 B17R0.186 CCC(C)CCOCCCCCC(=O)OC(C)C 7a_100011215188_200010986244 [0,2,0,0,0,0|2,0,0]=4 11496 B17R0.186 COC(=O)CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000036616 [0,2,0,0,0,0|1,0,1]=4 11497 B17R0.186 COC(=O)CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000036616 [0,2,0,0,0,0|1,0,1]=4 11498 B17R0.186 COC(=O)CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000036616 [0,2,0,0,0,0|1,0,1]=4 11499 B17R0.233 CCCCCCCC(C)OCCC(=O)NC(C)C 7a_200011215852_100000737564 [0,2,0,0,0,0|1,0,0]=3 11500 B17R0.233 CCCCCCCC(C)OCCC(=O)OC(C)C 7a_200011215852_100000760027 [0,2,0,0,0,0|2,0,0]=4 11501 B17R0.233 CCCCCCCC(C)SCCC(=O)NC(C)C 62a_100000737564_200011218727 [0,2,0,0,0,0|1,0,0]=3 11502 B17R0.233 CCCCCCCC(C)SCCC(=O)NC(C)C 62a_200011218727_100000737564 [0,2,0,0,0,0|1,0,0]=3 11503 B17R0.233 CCCCCCCC(C)SCCC(=O)OC(C)C 62a_100000760027_200011218727 [0,2,0,0,0,0|2,0,0]=4 11504 B17R0.233 CCCCCCCC(C)SCCC(=O)OC(C)C 62a_200011218727_100000760027 [0,2,0,0,0,0|2,0,0]=4 11505 B17R0.6460 CCCCCCCCNCCS(=O)(=O)NC(C)C 2230a_100000747398_100000210759 [0,2,0,0,0,0|2,0,0]=4 11506 B17R0.6460 CCCCCCCCNCCS(=O)(=O)NC(C)C 34a_100000747398_100000210759 [0,2,0,0,0,0|2,0,0]=4 11507 B17R0.13601 C#CC(C)NC(=O)C=CCCCCCCCCC 11a_100000707721_200015352897 [0,2,0,0,0,0|0,0,2]=4 11508 B17R0.13601 C#CC(C)NC(=O)C=CCCCCCCCCC 1626a_100000707721_200015352897 [0,2,0,0,0,0|0,0,2]=4 11509 B17R0.13601 C#CC(C)NC(=O)C=CCCCCCCCCC 240690a_100000707721_200015352897 [0,2,0,0,0,0|0,0,2]=4 11510 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCC 11a_100000707721_100000210736 [0,2,0,0,0,0|0,0,0]=2 11511 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCC 1626a_100000707721_100000210736 [0,2,0,0,0,0|0,0,0]=2 11512 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCC 240690a_100000707721_100000210736 [0,2,0,0,0,0|0,0,0]=2 11513 B17R0.13601 C#CC(C)NC(=O)CCCCCCCCCCO 240690a_100000707721_200000016029 [0,2,0,0,0,0|1,0,0]=3 11514 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCC 2708a_100000684558_100000707721 [0,2,0,0,0,0|1,0,0]=3 11515 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCC 2708a_100000707721_100000684558 [0,2,0,0,0,0|1,0,0]=3 11516 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCC 273464a_100000684558_100000707721 [0,2,0,0,0,0|1,0,0]=3 11517 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCC 273464a_100000707721_100000684558 [0,2,0,0,0,0|1,0,0]=3 11518 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCC 512a_100000684558_100000707721 [0,2,0,0,0,0|1,0,0]=3 11519 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCC 512a_100000707721_100000684558 [0,2,0,0,0,0|1,0,0]=3 11520 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000707721 [0,2,0,0,0,0|2,0,0]=4 11521 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCO 2708a_100000707721_100000078944 [0,2,0,0,0,0|2,0,0]=4 11522 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCO 273464a_100000078944_100000707721 [0,2,0,0,0,0|2,0,0]=4 11523 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCO 273464a_100000707721_100000078944 [0,2,0,0,0,0|2,0,0]=4 11524 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCO 512a_100000078944_100000707721 [0,2,0,0,0,0|2,0,0]=4 11525 B17R0.13601 C#CC(C)NC(=O)NCCCCCCCCCO 512a_100000707721_100000078944 [0,2,0,0,0,0|2,0,0]=4 11526 B17R0.13601 C#CC(C)NC(C)CCCCCCCCCCC 270004a_100000707721_100011216755 [0,2,0,0,0,0|1,0,1]=4 11527 B17R0.13601 C=CC(C)CC(=O)CCCCCCCCCCC 1458a_100011934298_100011215454 [0,2,0,0,0,0|1,0,0]=3 11528 B17R0.13601 C=CC(C)CC(=O)CCCCCCCCCCO 1458a_100011934298_100009813290 [0,2,0,0,0,0|2,0,0]=4 11529 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 11a_100000684558_100011934298 [0,2,0,0,0,0|2,0,0]=4 11530 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 1626a_100000684558_100011934298 [0,2,0,0,0,0|2,0,0]=4 11531 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 240690a_100000684558_100011934298 [0,2,0,0,0,0|2,0,0]=4 11532 B17R0.13601 C=CC(C)CC(=O)NCCCCCCCCCC 527a_100000684558_100011934298 [0,2,0,0,0,0|2,0,0]=4 11533 B17R0.13601 C=CCCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100009814027 [0,2,0,0,0,0|0,0,2]=4 11534 B17R0.13601 CC(C#N)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000737613 [0,2,0,0,0,0|2,0,0]=4 11535 B17R0.13601 CC(C#N)NC(=O)NCCCCCCCCCO 2708a_100000737613_100000078944 [0,2,0,0,0,0|2,0,0]=4 11536 B17R0.13601 CC(C#N)NC(=O)NCCCCCCCCCO 273464a_100000078944_100000737613 [0,2,0,0,0,0|2,0,0]=4 11537 B17R0.13601 CC(C#N)NC(=O)NCCCCCCCCCO 273464a_100000737613_100000078944 [0,2,0,0,0,0|2,0,0]=4 11538 B17R0.13601 CC(C#N)NC(=O)NCCCCCCCCCO 512a_100000078944_100000737613 [0,2,0,0,0,0|2,0,0]=4 11539 B17R0.13601 CC(C#N)NC(=O)NCCCCCCCCCO 512a_100000737613_100000078944 [0,2,0,0,0,0|2,0,0]=4 11540 B17R0.13601 CCC(=CC(=O)CCCCCCCCCCO)C 1458a_100020758463_100009813290 [0,2,0,0,0,0|2,0,0]=4 11541 B17R0.13601 CCC(C)CC(=O)CCCCCCCCCCO 1458a_100000708755_100009813290 [0,2,0,0,0,0|2,0,0]=4 11542 B17R0.13601 CCC(C)NC(=O)CCCCCCCCCCO 240690a_100000209981_200000016029 [0,2,0,0,0,0|1,0,0]=3 11543 B17R0.13601 CCC(C)NC(=O)CNCCCCCCCCO 2230a_102515433106_100000182745 [0,2,0,0,0,0|2,0,0]=4 11544 B17R0.13601 CCC(C)NC(=O)CNCCCCCCCCO 34a_102515433106_100000182745 [0,2,0,0,0,0|2,0,0]=4 11545 B17R0.13601 CCC(C)NC(=O)COCCCCCCCCBr 34a_100009813846_100000182745 [0,2,0,0,0,0|2,0,0]=4 11546 B17R0.13601 CCC(C)NC(=O)COCCCCCCCCBr 7a_100009813846_100000182745 [0,2,0,0,0,0|2,0,0]=4 11547 B17R0.13601 CCC(C)NC(=O)COCCCCCCCCCl 34a_100000033203_100000182745 [0,2,0,0,0,0|2,0,0]=4 11548 B17R0.13601 CCC(C)NC(=O)COCCCCCCCCCl 7a_100000033203_100000182745 [0,2,0,0,0,0|2,0,0]=4 11549 B17R0.13601 CCC(C)NC(=O)COCCCCCCCCN 34a_102515433106_100000182745 [0,2,0,0,0,0|2,0,0]=4 11550 B17R0.13601 CCC(C)NC(=O)CSCCCCCCCCO 62a_100000033203_100000182745 [0,2,0,0,0,0|2,0,0]=4 11551 B17R0.13601 CCC(C)NC(=O)CSCCCCCCCCO 62a_100000182745_100000033203 [0,2,0,0,0,0|2,0,0]=4 11552 B17R0.13601 CCC(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000209981 [0,2,0,0,0,0|2,0,0]=4 11553 B17R0.13601 CCC(C)NC(=O)NCCCCCCCCCO 2708a_100000209981_100000078944 [0,2,0,0,0,0|2,0,0]=4 11554 B17R0.13601 CCC(C)NC(=O)NCCCCCCCCCO 273464a_100000078944_100000209981 [0,2,0,0,0,0|2,0,0]=4 11555 B17R0.13601 CCC(C)NC(=O)NCCCCCCCCCO 273464a_100000209981_100000078944 [0,2,0,0,0,0|2,0,0]=4 11556 B17R0.13601 CCC(C)NC(=O)NCCCCCCCCCO 512a_100000078944_100000209981 [0,2,0,0,0,0|2,0,0]=4 11557 B17R0.13601 CCC(C)NC(=O)NCCCCCCCCCO 512a_100000209981_100000078944 [0,2,0,0,0,0|2,0,0]=4 11558 B17R0.13601 CCC(O)CC(=O)CCCCCCCCCCO 1458a_100011667805_100009813290 [0,2,0,0,0,0|2,0,0]=4 11559 B17R0.13601 CCCCCCCCCC=CC(=O)NC(C)C#N 11a_100000737613_200015352897 [0,2,0,0,0,0|0,0,2]=4 11560 B17R0.13601 CCCCCCCCCC=CC(=O)NC(C)C#N 1626a_100000737613_200015352897 [0,2,0,0,0,0|0,0,2]=4 11561 B17R0.13601 CCCCCCCCCC=CC(=O)NC(C)CC 11a_100000209981_200015352897 [0,2,0,0,0,0|0,0,2]=4 11562 B17R0.13601 CCCCCCCCCC=CC(=O)NC(C)CC 1626a_100000209981_200015352897 [0,2,0,0,0,0|0,0,2]=4 11563 B17R0.13601 CCCCCCCCCC=CC(=O)NC(C)CC 240690a_100000209981_200015352897 [0,2,0,0,0,0|0,0,2]=4 11564 B17R0.13601 CCCCCCCCCC=CC(=O)N[C@H](C)CF 11a_100102880703_200015352897 [0,2,0,0,0,0|0,0,2]=4 11565 B17R0.13601 CCCCCCCCCC=CC(=O)N[C@H](C)CF 1626a_100102880703_200015352897 [0,2,0,0,0,0|0,0,2]=4 11566 B17R0.13601 CCCCCCCCCC=CC(=O)N[C@H](C)CF 240690a_100102880703_200015352897 [0,2,0,0,0,0|0,0,2]=4 11567 B17R0.13601 CCCCCCCCCC=CC(=O)N[C@H](C)CO 240690a_100000737577_200015352897 [0,2,0,0,0,0|0,0,2]=4 11568 B17R0.13601 CCCCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100011215454 [0,2,0,0,0,0|1,0,0]=3 11569 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)CC 1458a_100000210736_100000747405 [0,2,0,0,0,0|1,0,0]=3 11570 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)NC 1458a_100000210736_100000183359 [0,2,0,0,0,0|1,0,1]=4 11571 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000210736_100000747449 [0,2,0,0,0,0|1,0,1]=4 11572 B17R0.13601 CCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100011215454 [0,2,0,0,0,0|1,0,1]=4 11573 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000210736_100000748023 [0,2,0,0,0,0|1,0,0]=3 11574 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011215454 [0,2,0,0,0,0|1,0,0]=3 11575 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100000210736_100011218378 [0,2,0,0,0,0|1,0,0]=3 11576 B17R0.13601 CCCCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011215454 [0,2,0,0,0,0|1,0,0]=3 11577 B17R0.13601 CCCCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100011215454 [0,2,0,0,0,0|0,0,0]=2 11578 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210736_100009816398 [0,2,0,0,0,0|1,0,0]=3 11579 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210736_100000059175 [0,2,0,0,0,0|1,0,0]=3 11580 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000210736 [0,2,0,0,0,0|0,0,0]=2 11581 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000210736 [0,2,0,0,0,0|0,0,0]=2 11582 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210736 [0,2,0,0,0,0|0,0,0]=2 11583 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210736 [0,2,0,0,0,0|0,0,0]=2 11584 B17R0.13601 CCCCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210736 [0,2,0,0,0,0|0,0,0]=2 11585 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210736 [0,2,0,0,0,0|0,0,0]=2 11586 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210736 [0,2,0,0,0,0|0,0,0]=2 11587 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210736 [0,2,0,0,0,0|0,0,0]=2 11588 B17R0.13601 CCCCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210736 [0,2,0,0,0,0|0,0,0]=2 11589 B17R0.13601 CCCCCCCCCCCC(C)NC(C)CC 270004a_100000209981_100011216755 [0,2,0,0,0,0|1,0,1]=4 11590 B17R0.13601 CCCCCCCCCCCC(C)N[C@H](C)CF 270004a_100102880703_100011216755 [0,2,0,0,0,0|1,0,1]=4 11591 B17R0.13601 CCCCCCCCCCCC(C)N[C@H](C)CO 270004a_100000737577_100011216755 [0,2,0,0,0,0|1,0,1]=4 11592 B17R0.13601 CCCCCCCCCCNC(=O)C=C(C)CC 11a_100000684558_100020758463 [0,2,0,0,0,0|2,0,0]=4 11593 B17R0.13601 CCCCCCCCCCNC(=O)C=C(C)CC 1626a_100000684558_100020758463 [0,2,0,0,0,0|2,0,0]=4 11594 B17R0.13601 CCCCCCCCCCNC(=O)C=C(C)CC 240690a_100000684558_100020758463 [0,2,0,0,0,0|2,0,0]=4 11595 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 11a_100000684558_100000708755 [0,2,0,0,0,0|2,0,0]=4 11596 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 1626a_100000684558_100000708755 [0,2,0,0,0,0|2,0,0]=4 11597 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 240690a_100000684558_100000708755 [0,2,0,0,0,0|2,0,0]=4 11598 B17R0.13601 CCCCCCCCCCNC(=O)CC(C)CC 527a_100000684558_100000708755 [0,2,0,0,0,0|2,0,0]=4 11599 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 1626a_100000684558_100011667805 [0,2,0,0,0,0|2,0,0]=4 11600 B17R0.13601 CCCCCCCCCCNC(=O)CC(O)CC 240690a_100000684558_100011667805 [0,2,0,0,0,0|2,0,0]=4 11601 B17R0.13601 CCCCCCCCCCNC(=O)CN(C)CC 240690a_100000684558_100116209913 [0,2,0,0,0,0|1,0,0]=3 11602 B17R0.13601 CCCCCCCCCCNC(=O)CN(C)CC 527a_100000684558_100116209913 [0,2,0,0,0,0|1,0,0]=3 11603 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)C#N 2708a_100000684558_100000737613 [0,2,0,0,0,0|1,0,0]=3 11604 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000684558 [0,2,0,0,0,0|1,0,0]=3 11605 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)C#N 273464a_100000684558_100000737613 [0,2,0,0,0,0|1,0,0]=3 11606 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000684558 [0,2,0,0,0,0|1,0,0]=3 11607 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)C#N 512a_100000684558_100000737613 [0,2,0,0,0,0|1,0,0]=3 11608 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)C#N 512a_100000737613_100000684558 [0,2,0,0,0,0|1,0,0]=3 11609 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000684558 [0,2,0,0,0,0|1,0,0]=3 11610 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 2708a_100000684558_100000209981 [0,2,0,0,0,0|1,0,0]=3 11611 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000684558 [0,2,0,0,0,0|1,0,0]=3 11612 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 273464a_100000684558_100000209981 [0,2,0,0,0,0|1,0,0]=3 11613 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000684558 [0,2,0,0,0,0|1,0,0]=3 11614 B17R0.13601 CCCCCCCCCCNC(=O)NC(C)CC 512a_100000684558_100000209981 [0,2,0,0,0,0|1,0,0]=3 11615 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 2708a_100000684558_100102880703 [0,2,0,0,0,0|1,0,0]=3 11616 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100000684558_100102880703 [0,2,0,0,0,0|1,0,0]=3 11617 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000684558 [0,2,0,0,0,0|1,0,0]=3 11618 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100000684558_100102880703 [0,2,0,0,0,0|1,0,0]=3 11619 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000684558 [0,2,0,0,0,0|1,0,0]=3 11620 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000684558_100000737577 [0,2,0,0,0,0|1,0,0]=3 11621 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000684558 [0,2,0,0,0,0|1,0,0]=3 11622 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000684558_100000737577 [0,2,0,0,0,0|1,0,0]=3 11623 B17R0.13601 CCCCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000684558 [0,2,0,0,0,0|1,0,0]=3 11624 B17R0.13601 CCCCCCCCCCOC(=O)CC(=O)CC 1458a_100000210414_100000210668 [0,2,0,0,0,0|2,0,0]=4 11625 B17R0.13601 CCCCCCCCCCOC(=O)CN(C)CC 2230a_100000225621_100000210668 [0,2,0,0,0,0|1,0,0]=3 11626 B17R0.13601 CCCCCCCCCCOC(=O)CN(C)CC 269982a_100000225621_100000210668 [0,2,0,0,0,0|1,0,0]=3 11627 B17R0.13601 CCCCCCCCCNCC(=O)NC(C)CC 2230a_100000212291_100000182745 [0,2,0,0,0,0|1,0,0]=3 11628 B17R0.13601 CCCCCCCCCNCC(=O)NC(C)CC 34a_100000212291_100000182745 [0,2,0,0,0,0|1,0,0]=3 11629 B17R0.13601 CCCCCCCCCOCC(=O)NC(C)CC 34a_100000210712_100000182745 [0,2,0,0,0,0|1,0,0]=3 11630 B17R0.13601 CCCCCCCCCOCC(=O)NC(C)CC 7a_100000210712_100000182745 [0,2,0,0,0,0|1,0,0]=3 11631 B17R0.13601 CCCCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210670 [0,2,0,0,0,0|1,0,0]=3 11632 B17R0.13601 CCCCCCOCCOCC(=O)NC(C)CC 34a_100000691444_100000182745 [0,2,0,0,0,0|2,0,0]=4 11633 B17R0.13601 CCCCCCOCCOCC(=O)NC(C)CC 7a_100000691444_100000182745 [0,2,0,0,0,0|2,0,0]=4 11634 B17R0.13601 CCCCNCCCCOCC(=O)NC(C)CC 34a_200011216965_100000182745 [0,2,0,0,0,0|2,0,0]=4 11635 B17R0.13601 CCCCOCCCCOCC(=O)NC(C)CC 34a_200000760531_100000182745 [0,2,0,0,0,0|2,0,0]=4 11636 B17R0.13601 CCCCOCCCCOCC(=O)NC(C)CC 7a_200000760531_100000182745 [0,2,0,0,0,0|2,0,0]=4 11637 B17R0.13601 CCN(C)CC(=O)CCCCCCCCCCO 1458a_100116209913_100009813290 [0,2,0,0,0,0|1,0,0]=3 11638 B17R0.13601 CCN(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100116209913 [0,2,0,0,0,0|2,0,0]=4 11639 B17R0.13601 C[C@H](CF)NC(=O)CCCCCCCCCCO 240690a_100102880703_200000016029 [0,2,0,0,0,0|1,0,0]=3 11640 B17R0.13601 C[C@H](CF)NC(=O)NCCCCCCCCCO 2708a_100000078944_100102880703 [0,2,0,0,0,0|2,0,0]=4 11641 B17R0.13601 C[C@H](CF)NC(=O)NCCCCCCCCCO 273464a_100000078944_100102880703 [0,2,0,0,0,0|2,0,0]=4 11642 B17R0.13601 C[C@H](CF)NC(=O)NCCCCCCCCCO 273464a_100102880703_100000078944 [0,2,0,0,0,0|2,0,0]=4 11643 B17R0.13601 C[C@H](CF)NC(=O)NCCCCCCCCCO 512a_100000078944_100102880703 [0,2,0,0,0,0|2,0,0]=4 11644 B17R0.13601 C[C@H](CF)NC(=O)NCCCCCCCCCO 512a_100102880703_100000078944 [0,2,0,0,0,0|2,0,0]=4 11645 B17R0.13601 C[C@H](CO)NC(=O)CCCCCCCCCCO 240690a_100000737577_200000016029 [0,2,0,0,0,0|1,0,0]=3 11646 B17R0.13601 C[C@H](CO)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000737577 [0,2,0,0,0,0|2,0,0]=4 11647 B17R0.13601 C[C@H](CO)NC(=O)NCCCCCCCCCO 273464a_100000737577_100000078944 [0,2,0,0,0,0|2,0,0]=4 11648 B17R0.13601 C[C@H](CO)NC(=O)NCCCCCCCCCO 512a_100000078944_100000737577 [0,2,0,0,0,0|2,0,0]=4 11649 B17R0.13601 C[C@H](CO)NC(=O)NCCCCCCCCCO 512a_100000737577_100000078944 [0,2,0,0,0,0|2,0,0]=4 11650 B17R0.13612 CC(C)(C)CC(=O)CCCCCCCCCCO 1458a_100000211214_100009813290 [0,2,0,0,0,0|2,0,0]=4 11651 B17R0.13612 CC(C)(C)NC(=O)CCCCCCCCCCO 240690a_100000715429_200000016029 [0,2,0,0,0,0|1,0,0]=3 11652 B17R0.13612 CC(C)(C)NC(=O)CCCNCCCCCCO 2230a_100000686447_100011194434 [0,2,0,0,0,0|2,0,0]=4 11653 B17R0.13612 CC(C)(C)NC(=O)CCCOCCCCCCBr 7a_100011215345_100011194434 [0,2,0,0,0,0|2,0,0]=4 11654 B17R0.13612 CC(C)(C)NC(=O)CCCOCCCCCCCl 7a_100000766143_100011194434 [0,2,0,0,0,0|2,0,0]=4 11655 B17R0.13612 CC(C)(C)NC(=O)CCCOCCCCCCF 7a_100000732779_100011194434 [0,2,0,0,0,0|2,0,0]=4 11656 B17R0.13612 CC(C)(C)NC(=O)CCCSCCCCCCF 62a_100011194434_100015922095 [0,2,0,0,0,0|2,0,0]=4 11657 B17R0.13612 CC(C)(C)NC(=O)CCCSCCCCCCF 62a_100015922095_100011194434 [0,2,0,0,0,0|2,0,0]=4 11658 B17R0.13612 CC(C)(C)NC(=O)CCCSCCCCCCO 62a_100000766143_100011194434 [0,2,0,0,0,0|2,0,0]=4 11659 B17R0.13612 CC(C)(C)NC(=O)CCCSCCCCCCO 62a_100011194434_100000766143 [0,2,0,0,0,0|2,0,0]=4 11660 B17R0.13612 CC(C)(C)NC(=O)CCNCCCCCCCO 2230a_100011996573_100011194433 [0,2,0,0,0,0|2,0,0]=4 11661 B17R0.13612 CC(C)(C)NC(=O)CCOCCCCCCCBr 7a_100000760002_100011194433 [0,2,0,0,0,0|2,0,0]=4 11662 B17R0.13612 CC(C)(C)NC(=O)CCSCCCCCCCO 62a_100000760002_100011194433 [0,2,0,0,0,0|2,0,0]=4 11663 B17R0.13612 CC(C)(C)NC(=O)CCSCCCCCCCO 62a_100011194433_100000760002 [0,2,0,0,0,0|2,0,0]=4 11664 B17R0.13612 CC(C)(C)NC(=O)CNCCCCCCCCO 2230a_100000174917_100000033203 [0,2,0,0,0,0|2,0,0]=4 11665 B17R0.13612 CC(C)(C)NC(=O)CNCCCCCCCCO 2230a_102515433106_100000182746 [0,2,0,0,0,0|2,0,0]=4 11666 B17R0.13612 CC(C)(C)NC(=O)CNCCCCCCCCO 34a_100000174917_100000033203 [0,2,0,0,0,0|2,0,0]=4 11667 B17R0.13612 CC(C)(C)NC(=O)CNCCCCCCCCO 34a_102515433106_100000182746 [0,2,0,0,0,0|2,0,0]=4 11668 B17R0.13612 CC(C)(C)NC(=O)COCCCCCCCCBr 34a_100009813846_100000182746 [0,2,0,0,0,0|2,0,0]=4 11669 B17R0.13612 CC(C)(C)NC(=O)COCCCCCCCCBr 7a_100009813846_100000182746 [0,2,0,0,0,0|2,0,0]=4 11670 B17R0.13612 CC(C)(C)NC(=O)COCCCCCCCCCl 34a_100000033203_100000182746 [0,2,0,0,0,0|2,0,0]=4 11671 B17R0.13612 CC(C)(C)NC(=O)COCCCCCCCCCl 7a_100000033203_100000182746 [0,2,0,0,0,0|2,0,0]=4 11672 B17R0.13612 CC(C)(C)NC(=O)COCCCCCCCCN 34a_102515433106_100000182746 [0,2,0,0,0,0|2,0,0]=4 11673 B17R0.13612 CC(C)(C)NC(=O)CSCCCCCCCCO 62a_100000033203_100000182746 [0,2,0,0,0,0|2,0,0]=4 11674 B17R0.13612 CC(C)(C)NC(=O)CSCCCCCCCCO 62a_100000182746_100000033203 [0,2,0,0,0,0|2,0,0]=4 11675 B17R0.13612 CC(C)(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000715429 [0,2,0,0,0,0|2,0,0]=4 11676 B17R0.13612 CC(C)(C)NC(=O)NCCCCCCCCCO 273464a_100000078944_100000715429 [0,2,0,0,0,0|2,0,0]=4 11677 B17R0.13612 CC(C)(C)NC(=O)NCCCCCCCCCO 273464a_100000715429_100000078944 [0,2,0,0,0,0|2,0,0]=4 11678 B17R0.13612 CC(C)(C)NC(=O)NCCCCCCCCCO 512a_100000715429_100000078944 [0,2,0,0,0,0|2,0,0]=4 11679 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCS[13CH3] 62a_100134615940_200025704644 [0,2,0,0,0,0|2,0,0]=4 11680 B17R0.13612 CC(C)(C)OC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100134615940 [0,2,0,0,0,0|2,0,0]=4 11681 B17R0.13612 CC(C)(O)CC(=O)CCCCCCCCCCO 1458a_100000693243_100009813290 [0,2,0,0,0,0|2,0,0]=4 11682 B17R0.13612 CCCCCCCCCC=CC(=O)NC(C)(C)C 11a_100000715429_200015352897 [0,2,0,0,0,0|0,0,2]=4 11683 B17R0.13612 CCCCCCCCCC=CC(=O)NC(C)(C)C 1626a_100000715429_200015352897 [0,2,0,0,0,0|0,0,2]=4 11684 B17R0.13612 CCCCCCCCCC=CC(=O)NC(C)(C)C 240690a_100000715429_200015352897 [0,2,0,0,0,0|0,0,2]=4 11685 B17R0.13612 CCCCCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100011215454 [0,2,0,0,0,0|1,0,0]=3 11686 B17R0.13612 CCCCCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100011215454 [0,2,0,0,0,0|1,0,0]=3 11687 B17R0.13612 CCCCCCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100011215454 [0,2,0,0,0,0|2,0,0]=4 11688 B17R0.13612 CCCCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011215454 [0,2,0,0,0,0|2,0,0]=4 11689 B17R0.13612 CCCCCCCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011215454 [0,2,0,0,0,0|2,0,0]=4 11690 B17R0.13612 CCCCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100000210736_100000233785 [0,2,0,0,0,0|1,1,0]=4 11691 B17R0.13612 CCCCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011215454 [0,2,0,0,0,0|1,1,0]=4 11692 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000210736 [0,2,0,0,0,0|0,0,0]=2 11693 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210736 [0,2,0,0,0,0|0,0,0]=2 11694 B17R0.13612 CCCCCCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210736 [0,2,0,0,0,0|0,0,0]=2 11695 B17R0.13612 CCCCCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210736 [0,2,0,0,0,0|1,0,0]=3 11696 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 11a_100000684558_100000211214 [0,2,0,0,0,0|2,0,0]=4 11697 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 1626a_100000684558_100000211214 [0,2,0,0,0,0|2,0,0]=4 11698 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 240690a_100000684558_100000211214 [0,2,0,0,0,0|2,0,0]=4 11699 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)C 527a_100000684558_100000211214 [0,2,0,0,0,0|2,0,0]=4 11700 B17R0.13612 CCCCCCCCCCNC(=O)CC(C)(C)O 527a_100000684558_100000693243 [0,2,0,0,0,0|2,0,0]=4 11701 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 2708a_100000684558_100000715429 [0,2,0,0,0,0|1,0,0]=3 11702 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 273464a_100000684558_100000715429 [0,2,0,0,0,0|1,0,0]=3 11703 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000684558 [0,2,0,0,0,0|1,0,0]=3 11704 B17R0.13612 CCCCCCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000684558 [0,2,0,0,0,0|1,0,0]=3 11705 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100011214924 [0,2,0,0,0,0|1,0,0]=3 11706 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 2230a_100000212291_100000182746 [0,2,0,0,0,0|1,0,0]=3 11707 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 34a_100000174917_100011214924 [0,2,0,0,0,0|1,0,0]=3 11708 B17R0.13612 CCCCCCCCCNCC(=O)NC(C)(C)C 34a_100000212291_100000182746 [0,2,0,0,0,0|1,0,0]=3 11709 B17R0.13612 CCCCCCCCCNCC(=O)OC(C)(C)C 2230a_100000212291_100000183872 [0,2,0,0,0,0|2,0,0]=4 11710 B17R0.13612 CCCCCCCCCNCC(=O)OC(C)(C)C 34a_100000212291_100000183872 [0,2,0,0,0,0|2,0,0]=4 11711 B17R0.13612 CCCCCCCCCOCC(=O)NC(C)(C)C 34a_100000210712_100000182746 [0,2,0,0,0,0|1,0,0]=3 11712 B17R0.13612 CCCCCCCCCOCC(=O)NC(C)(C)C 7a_100000210712_100000182746 [0,2,0,0,0,0|1,0,0]=3 11713 B17R0.13612 CCCCCCCCCOCC(=O)NS(=O)(=O)C 7a_100000210712_100009907230 [0,2,0,0,0,0|2,0,0]=4 11714 B17R0.13612 CCCCCCCCCOCC(=O)OC(C)(C)C 34a_100000210712_100000183872 [0,2,0,0,0,0|2,0,0]=4 11715 B17R0.13612 CCCCCCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100011214924 [0,2,0,0,0,0|2,0,0]=4 11716 B17R0.13612 CCCCCCCCCOCC(=O)OC(C)(C)C 7a_100000210712_100000183872 [0,2,0,0,0,0|2,0,0]=4 11717 B17R0.13612 CCCCCCCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210670 [0,2,0,0,0,0|1,0,0]=3 11718 B17R0.13612 CCCCCCCCCSCC(=O)NS(=O)(=O)C 62a_100009907230_100000210670 [0,2,0,0,0,0|2,0,0]=4 11719 B17R0.13612 CCCCCCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210670 [0,2,0,0,0,0|2,0,0]=4 11720 B17R0.13612 CCCCCCCCNCCC(=O)NC(C)(C)C 2230a_100000229939_100011194433 [0,2,0,0,0,0|1,0,0]=3 11721 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C 2230a_100000229939_100009816755 [0,2,0,0,0,0|2,0,0]=4 11722 B17R0.13612 CCCCCCCCNCCC(=O)OC(C)(C)C 34a_100000229939_100009816755 [0,2,0,0,0,0|2,0,0]=4 11723 B17R0.13612 CCCCCCCCOCCC(=O)NC(C)(C)C 7a_100000210232_100011194433 [0,2,0,0,0,0|1,0,0]=3 11724 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 34a_100000210232_100009816755 [0,2,0,0,0,0|2,0,0]=4 11725 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210759 [0,2,0,0,0,0|2,0,0]=4 11726 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 7a_100000210232_100009816755 [0,2,0,0,0,0|2,0,0]=4 11727 B17R0.13612 CCCCCCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210759 [0,2,0,0,0,0|2,0,0]=4 11728 B17R0.13612 CCCCCCCCSCCC(=O)NC(C)(C)C 62a_100000210759_100011194433 [0,2,0,0,0,0|1,0,0]=3 11729 B17R0.13612 CCCCCCCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210317 [0,2,0,0,0,0|1,0,0]=3 11730 B17R0.13612 CCCCCCCCSCCC(=O)OC(C)(C)C 62a_100000210759_100009816755 [0,2,0,0,0,0|2,0,0]=4 11731 B17R0.13612 CCCCCCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210317 [0,2,0,0,0,0|2,0,0]=4 11732 B17R0.13612 CCCCCCCNCCCC(=O)NC(C)(C)C 2230a_100000229938_100011194434 [0,2,0,0,0,0|1,0,0]=3 11733 B17R0.13612 CCCCCCCNCCCC(=O)OC(C)(C)C 2230a_100000229938_100000708543 [0,2,0,0,0,0|2,0,0]=4 11734 B17R0.13612 CCCCCCCOCCCC(=O)NC(C)(C)C 7a_100000210272_100011194434 [0,2,0,0,0,0|1,0,0]=3 11735 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210614 [0,2,0,0,0,0|2,0,0]=4 11736 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 34a_100000210272_100000708543 [0,2,0,0,0,0|2,0,0]=4 11737 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210614 [0,2,0,0,0,0|2,0,0]=4 11738 B17R0.13612 CCCCCCCOCCCC(=O)OC(C)(C)C 7a_100000210272_100000708543 [0,2,0,0,0,0|2,0,0]=4 11739 B17R0.13612 CCCCCCCSCCCC(=O)NC(C)(C)C 62a_100000210614_100011194434 [0,2,0,0,0,0|1,0,0]=3 11740 B17R0.13612 CCCCCCCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210316 [0,2,0,0,0,0|1,0,0]=3 11741 B17R0.13612 CCCCCCCSCCCC(=O)OC(C)(C)C 62a_100000210614_100000708543 [0,2,0,0,0,0|2,0,0]=4 11742 B17R0.13612 CCCCCCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210316 [0,2,0,0,0,0|2,0,0]=4 11743 B17R0.13612 CCCCCCNCCCCC(=O)OC(C)(C)C 2230a_100000210581_100010889705 [0,2,0,0,0,0|2,0,0]=4 11744 B17R0.13612 CCCCCCOCCCCC(=O)OC(C)(C)C 34a_100000210259_100010889705 [0,2,0,0,0,0|2,0,0]=4 11745 B17R0.13612 CCCCCCOCCCCC(=O)OC(C)(C)C 7a_100000210259_100010889705 [0,2,0,0,0,0|2,0,0]=4 11746 B17R0.13612 CCCCCCOCCOCC(=O)NC(C)(C)C 34a_100000691444_100000182746 [0,2,0,0,0,0|2,0,0]=4 11747 B17R0.13612 CCCCCCOCCOCC(=O)NC(C)(C)C 7a_100000691444_100000182746 [0,2,0,0,0,0|2,0,0]=4 11748 B17R0.13612 CCCCCCSCCCCC(=O)OC(C)(C)C 62a_100000210314_100010889705 [0,2,0,0,0,0|2,0,0]=4 11749 B17R0.13612 CCCCCCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000210757 [0,2,0,0,0,0|2,0,0]=4 11750 B17R0.13612 CCCCCNCCCCCC(=O)OC(C)(C)C 2230a_100000209983_100010886488 [0,2,0,0,0,0|2,0,0]=4 11751 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 34a_100000097220_100000718602 [0,2,0,0,0,0|2,0,0]=4 11752 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 34a_100000210253_100010886488 [0,2,0,0,0,0|2,0,0]=4 11753 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 7a_100000097220_100000210326 [0,2,0,0,0,0|2,0,0]=4 11754 B17R0.13612 CCCCCOCCCCCC(=O)OC(C)(C)C 7a_100000210253_100010886488 [0,2,0,0,0,0|2,0,0]=4 11755 B17R0.13612 CCCCCOCCOCCC(=O)NC(C)(C)C 7a_100011215259_100011194433 [0,2,0,0,0,0|2,0,0]=4 11756 B17R0.13612 CCCCCSCCCCCC(=O)OC(C)(C)C 62a_100000210326_100010886488 [0,2,0,0,0,0|2,0,0]=4 11757 B17R0.13612 CCCCCSCCCCCC(=O)OC(C)(C)C 62a_100010886488_100000210326 [0,2,0,0,0,0|2,0,0]=4 11758 B17R0.13612 CCCCNCCCCCCC(=O)OC(C)(C)C 2230a_100000102301_100010989376 [0,2,0,0,0,0|2,0,0]=4 11759 B17R0.13612 CCCCNCCCCCCC(=O)OC(C)(C)C 7a_106832991798_100010989376 [0,2,0,0,0,0|2,0,0]=4 11760 B17R0.13612 CCCCNCCCCOCC(=O)NC(C)(C)C 34a_200011216965_100000182746 [0,2,0,0,0,0|2,0,0]=4 11761 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 34a_100000210227_100010989376 [0,2,0,0,0,0|2,0,0]=4 11762 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 34a_100048648013_100000210210 [0,2,0,0,0,0|2,0,0]=4 11763 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 7a_100000210227_100010989376 [0,2,0,0,0,0|2,0,0]=4 11764 B17R0.13612 CCCCOCCCCCCC(=O)OC(C)(C)C 7a_100048648013_100000210211 [0,2,0,0,0,0|2,0,0]=4 11765 B17R0.13612 CCCCOCCCCOCC(=O)NC(C)(C)C 34a_200000760531_100000182746 [0,2,0,0,0,0|2,0,0]=4 11766 B17R0.13612 CCCCOCCCCOCC(=O)NC(C)(C)C 7a_200000760531_100000182746 [0,2,0,0,0,0|2,0,0]=4 11767 B17R0.13612 CCCCOCCCNCCC(=O)NC(C)(C)C 2230a_200000211371_100011194433 [0,2,0,0,0,0|2,0,0]=4 11768 B17R0.13612 CCCCOCCCOCCC(=O)NC(C)(C)C 7a_200011215613_100011194433 [0,2,0,0,0,0|2,0,0]=4 11769 B17R0.13612 CCCCOCCOCCCC(=O)NC(C)(C)C 7a_100000210238_100011194434 [0,2,0,0,0,0|2,0,0]=4 11770 B17R0.13612 CCCCOCCSCCCC(=O)NC(C)(C)C 62a_100000743108_100011194434 [0,2,0,0,0,0|2,0,0]=4 11771 B17R0.13612 CCCCOCCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000743108 [0,2,0,0,0,0|2,0,0]=4 11772 B17R0.13612 CCCCSCCCCCCC(=O)OC(C)(C)C 62a_100000210211_100010989376 [0,2,0,0,0,0|2,0,0]=4 11773 B17R0.13612 CCCCSCCCCCCC(=O)OC(C)(C)C 62a_100010989376_100000210210 [0,2,0,0,0,0|2,0,0]=4 11774 B17R0.13612 CCCCSCCNCCCC(=O)NC(C)(C)C 2230a_100025743550_100011194434 [0,2,0,0,0,0|2,0,0]=4 11775 B17R0.13612 CCCCSCCOCCCC(=O)NC(C)(C)C 7a_200000230436_100011194434 [0,2,0,0,0,0|2,0,0]=4 11776 B17R0.13612 CCCOCCCCCCCC(=O)OC(C)(C)C 34a_100000210258_100010978495 [0,2,0,0,0,0|2,0,0]=4 11777 B17R0.13612 CCCOCCCCCCCC(=O)OC(C)(C)C 34a_100032214103_100000210303 [0,2,0,0,0,0|2,0,0]=4 11778 B17R0.13612 CCCOCCCCCCCC(=O)OC(C)(C)C 7a_100032214103_100000210303 [0,2,0,0,0,0|2,0,0]=4 11779 B17R0.13612 CCCOCCCNCCCC(=O)NC(C)(C)C 2230a_100011217757_100011194434 [0,2,0,0,0,0|2,0,0]=4 11780 B17R0.13612 CCCSCCCCCCCC(=O)OC(C)(C)C 62a_100000210303_100010978495 [0,2,0,0,0,0|2,0,0]=4 11781 B17R0.13612 CCCSCCCCCCCC(=O)OC(C)(C)C 62a_100010978495_100000210303 [0,2,0,0,0,0|2,0,0]=4 11782 B17R0.13612 CCNCCCCCCCCC(=O)OC(C)(C)C 2230a_100015525214_100134616357 [0,2,0,0,0,0|2,0,0]=4 11783 B17R0.13612 CCOCCCCCCCCC(=O)OC(C)(C)C 34a_100121572206_100134616357 [0,2,0,0,0,0|2,0,0]=4 11784 B17R0.13612 CCSCCCCCCCCC(=O)OC(C)(C)C 62a_100000210202_100134616357 [0,2,0,0,0,0|2,0,0]=4 11785 B17R0.13612 CCSCCCCCCCCC(=O)OC(C)(C)C 62a_100134616357_100000210202 [0,2,0,0,0,0|2,0,0]=4 11786 B17R0.13612 CNCCCCCCCCCC(=O)OC(C)(C)C 2230a_106832991635_100134615940 [0,2,0,0,0,0|2,0,0]=4 11787 B17R0.13612 CNCCCCCCCCCC(=O)OC(C)(C)C 34a_100102657272_100134615940 [0,2,0,0,0,0|2,0,0]=4 11788 B17R0.13612 CNCCCCCCCCCC(=O)OC(C)(C)C 7a_106832991635_100134615940 [0,2,0,0,0,0|2,0,0]=4 11789 B17R0.13612 COCCCCCCCCCC(=O)OC(C)(C)C 34a_100138415774_100134615940 [0,2,0,0,0,0|2,0,0]=4 11790 B17R0.13612 COCCCCCCOCCC(=O)NC(C)(C)C 7a_200012092642_100011194433 [0,2,0,0,0,0|2,0,0]=4 11791 B17R0.13612 COCCCCCCSCCC(=O)NC(C)(C)C 62a_100011194433_100011998445 [0,2,0,0,0,0|2,0,0]=4 11792 B17R0.13612 COCCCCCCSCCC(=O)NC(C)(C)C 62a_100011998445_100011194433 [0,2,0,0,0,0|2,0,0]=4 11793 B17R0.13612 COCCCCCNCCCC(=O)NC(C)(C)C 2230a_100000747528_100011194434 [0,2,0,0,0,0|2,0,0]=4 11794 B17R0.13612 CS(=O)(=O)NC(=O)CCCCCCCCCCO 2740a_100000171171_200000016029 [0,2,0,0,0,0|2,0,0]=4 11795 B17R0.13612 CSCCCCCCCCCC(=O)OC(C)(C)C 62a_100134615940_200000210301 [0,2,0,0,0,0|2,0,0]=4 11796 B17R0.13612 CSCCCCCCCCCC(=O)OC(C)(C)C 62a_200000210301_100134615940 [0,2,0,0,0,0|2,0,0]=4 11797 B17R0.13636 CC(C)NC(=O)C(=O)CCCCCCCCCO 1458a_100011220036_100009813782 [0,2,0,0,0,0|1,0,1]=4 11798 B17R0.13636 CC(C)NC(=O)C(C)NCCCCCCCCO 2230a_100015205314_100000033203 [0,2,0,0,0,0|2,0,0]=4 11799 B17R0.13636 CC(C)NC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000195394 [0,2,0,0,0,0|2,0,0]=4 11800 B17R0.13636 CC(C)NC(=O)C(C)NCCCCCCCCO 34a_100015205314_100000033203 [0,2,0,0,0,0|2,0,0]=4 11801 B17R0.13636 CC(C)NC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000195394 [0,2,0,0,0,0|2,0,0]=4 11802 B17R0.13636 CC(C)NC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000195394 [0,2,0,0,0,0|2,0,0]=4 11803 B17R0.13636 CC(C)NC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000195394 [0,2,0,0,0,0|2,0,0]=4 11804 B17R0.13636 CC(C)NC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000195394 [0,2,0,0,0,0|2,0,0]=4 11805 B17R0.13636 CC(C)NC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000195394 [0,2,0,0,0,0|2,0,0]=4 11806 B17R0.13636 CC(C)NC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000195394 [0,2,0,0,0,0|2,0,0]=4 11807 B17R0.13636 CC(C)NC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000195394 [0,2,0,0,0,0|2,0,0]=4 11808 B17R0.13636 CC(C)NC(=O)C(C)SCCCCCCCCO 62a_100000195394_100000033203 [0,2,0,0,0,0|2,0,0]=4 11809 B17R0.13636 CCCCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210319 [0,2,0,0,0,0|0,0,1]=3 11810 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 11a_100000207566_100000210554 [0,2,0,0,0,0|2,0,0]=4 11811 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 1626a_100000207566_100000210554 [0,2,0,0,0,0|2,0,0]=4 11812 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 240690a_100000207566_100000210554 [0,2,0,0,0,0|2,0,0]=4 11813 B17R0.13636 CCCCCCCCCCN(C)C(=O)CC(C)C 527a_100000207566_100000210554 [0,2,0,0,0,0|2,0,0]=4 11814 B17R0.13636 CCCCCCCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207566_100011933948 [0,2,0,0,0,0|2,0,0]=4 11815 B17R0.13636 CCCCCCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207566 [0,2,0,0,0,0|1,0,0]=3 11816 B17R0.13636 CCCCCCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207566 [0,2,0,0,0,0|1,0,0]=3 11817 B17R0.13636 CCCCCCCCCNC(=O)C(=O)NC(C)C 1626a_100000212291_100011220036 [0,2,0,0,0,0|1,0,1]=4 11818 B17R0.13636 CCCCCCCCCNC(=O)C(=O)NC(C)C 240690a_100000212291_100011220036 [0,2,0,0,0,0|1,0,1]=4 11819 B17R0.13636 CCCCCCCCCNC(=O)C(=O)NC(C)C 527a_100000212291_100011220036 [0,2,0,0,0,0|1,0,1]=4 11820 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 2230a_100000212291_100000195394 [0,2,0,0,0,0|1,0,0]=3 11821 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 2230a_100015205314_100011214924 [0,2,0,0,0,0|1,0,0]=3 11822 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 34a_100000212291_100000195394 [0,2,0,0,0,0|1,0,0]=3 11823 B17R0.13636 CCCCCCCCCNC(C)C(=O)NC(C)C 34a_100015205314_100011214924 [0,2,0,0,0,0|1,0,0]=3 11824 B17R0.13636 CCCCCCCCCOC(C)C(=O)NC(C)C 34a_100000210712_100000195394 [0,2,0,0,0,0|1,0,0]=3 11825 B17R0.13636 CCCCCCCCCOC(C)C(=O)NC(C)C 7a_100000210712_100000195394 [0,2,0,0,0,0|1,0,0]=3 11826 B17R0.13636 CCCCCCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011214924 [0,2,0,0,0,0|2,0,0]=4 11827 B17R0.13636 CCCCCCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210328 [0,2,0,0,0,0|2,0,0]=4 11828 B17R0.13636 CCCCCCCCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210670 [0,2,0,0,0,0|1,0,0]=3 11829 B17R0.13636 CCCCCCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210759 [0,2,0,0,0,0|2,0,0]=4 11830 B17R0.13636 CCCCCCOCCOC(C)C(=O)NC(C)C 34a_100000691444_100000195394 [0,2,0,0,0,0|2,0,0]=4 11831 B17R0.13636 CCCCCCOCCOC(C)C(=O)NC(C)C 7a_100000691444_100000195394 [0,2,0,0,0,0|2,0,0]=4 11832 B17R0.13636 CCCCNCCCCOC(C)C(=O)NC(C)C 34a_200011216965_100000195394 [0,2,0,0,0,0|2,0,0]=4 11833 B17R0.13636 CCCCOCCCCOC(C)C(=O)NC(C)C 34a_200000760531_100000195394 [0,2,0,0,0,0|2,0,0]=4 11834 B17R0.13636 CCCCOCCCCOC(C)C(=O)NC(C)C 7a_200000760531_100000195394 [0,2,0,0,0,0|2,0,0]=4 11835 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [0,2,0,0,0,0|1,0,0]=3 11836 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [0,2,0,0,0,0|1,0,0]=3 11837 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCO 1458a_200000688413_100009813290 [0,2,0,0,0,0|2,0,0]=4 11838 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 11a_100000684558_200000688413 [0,2,0,0,0,0|2,0,0]=4 11839 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 1626a_100000684558_200000688413 [0,2,0,0,0,0|2,0,0]=4 11840 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 240690a_100000684558_200000688413 [0,2,0,0,0,0|2,0,0]=4 11841 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 527a_100000684558_200000688413 [0,2,0,0,0,0|2,0,0]=4 11842 B17R0.192 C=C(C)CNC(=O)C=CCCCCCCCCC 11a_100000765925_200015352897 [0,2,0,0,0,0|0,0,2]=4 11843 B17R0.192 C=C(C)CNC(=O)C=CCCCCCCCCC 1626a_100000765925_200015352897 [0,2,0,0,0,0|0,0,2]=4 11844 B17R0.192 C=C(C)CNC(=O)C=CCCCCCCCCC 240690a_100000765925_200015352897 [0,2,0,0,0,0|0,0,2]=4 11845 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 11a_100000765925_100000210736 [0,2,0,0,0,0|0,0,0]=2 11846 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 1626a_100000765925_100000210736 [0,2,0,0,0,0|0,0,0]=2 11847 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 240690a_100000765925_100000210736 [0,2,0,0,0,0|0,0,0]=2 11848 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCO 240690a_100000765925_200000016029 [0,2,0,0,0,0|1,0,0]=3 11849 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCC 2708a_100000684558_100000765925 [0,2,0,0,0,0|1,0,0]=3 11850 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCC 2708a_100000765925_100000684558 [0,2,0,0,0,0|1,0,0]=3 11851 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCC 273464a_100000684558_100000765925 [0,2,0,0,0,0|1,0,0]=3 11852 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCC 273464a_100000765925_100000684558 [0,2,0,0,0,0|1,0,0]=3 11853 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCC 512a_100000684558_100000765925 [0,2,0,0,0,0|1,0,0]=3 11854 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCC 512a_100000765925_100000684558 [0,2,0,0,0,0|1,0,0]=3 11855 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100000765925 [0,2,0,0,0,0|2,0,0]=4 11856 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCO 2708a_100000765925_100000078944 [0,2,0,0,0,0|2,0,0]=4 11857 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100000765925 [0,2,0,0,0,0|2,0,0]=4 11858 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCO 273464a_100000765925_100000078944 [0,2,0,0,0,0|2,0,0]=4 11859 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCO 512a_100000078944_100000765925 [0,2,0,0,0,0|2,0,0]=4 11860 B17R0.192 C=C(C)CNC(=O)NCCCCCCCCCO 512a_100000765925_100000078944 [0,2,0,0,0,0|2,0,0]=4 11861 B17R0.192 CC(=O)NCC(=O)CCCCCCCCCCO 1458a_100000194580_100009813290 [0,2,0,0,0,0|1,0,1]=4 11862 B17R0.192 CC(=O)NNC(=O)CCCCCCCCCCO 22a_100000189765_200000016029 [0,2,0,0,0,0|1,0,1]=4 11863 B17R0.192 CC(C)C=CC(=O)CCCCCCCCCCO 1458a_100016268746_100009813290 [0,2,0,0,0,0|2,0,0]=4 11864 B17R0.192 CC(C)CCC(=O)CCCCCCCCCCO 1458a_100000181311_100009813290 [0,2,0,0,0,0|2,0,0]=4 11865 B17R0.192 CC(C)CNC(=O)CCCCCCCCCCO 240690a_100000210953_200000016029 [0,2,0,0,0,0|1,0,0]=3 11866 B17R0.192 CC(C)CNC(=O)CCCNCCCCCCO 2230a_100000686447_100011194448 [0,2,0,0,0,0|2,0,0]=4 11867 B17R0.192 CC(C)CNC(=O)CCCNCCCCCCO 34a_100000686447_100011194448 [0,2,0,0,0,0|2,0,0]=4 11868 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCBr 34a_100011215345_100011194448 [0,2,0,0,0,0|2,0,0]=4 11869 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCBr 7a_100011215345_100011194448 [0,2,0,0,0,0|2,0,0]=4 11870 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCCl 34a_100000766143_100011194448 [0,2,0,0,0,0|2,0,0]=4 11871 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCCl 7a_100000766143_100011194448 [0,2,0,0,0,0|2,0,0]=4 11872 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCF 34a_100000732779_100011194448 [0,2,0,0,0,0|2,0,0]=4 11873 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCF 7a_100000732779_100011194448 [0,2,0,0,0,0|2,0,0]=4 11874 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCN 34a_100000686447_100011194448 [0,2,0,0,0,0|2,0,0]=4 11875 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCF 62a_100011194448_100015922095 [0,2,0,0,0,0|2,0,0]=4 11876 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCF 62a_100015922095_100011194448 [0,2,0,0,0,0|2,0,0]=4 11877 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCO 62a_100000766143_100011194448 [0,2,0,0,0,0|2,0,0]=4 11878 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCO 62a_100011194448_100000766143 [0,2,0,0,0,0|2,0,0]=4 11879 B17R0.192 CC(C)CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183291 [0,2,0,0,0,0|2,0,0]=4 11880 B17R0.192 CC(C)CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183291 [0,2,0,0,0,0|2,0,0]=4 11881 B17R0.192 CC(C)CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183291 [0,2,0,0,0,0|2,0,0]=4 11882 B17R0.192 CC(C)CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183291 [0,2,0,0,0,0|2,0,0]=4 11883 B17R0.192 CC(C)CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183291 [0,2,0,0,0,0|2,0,0]=4 11884 B17R0.192 CC(C)CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183291 [0,2,0,0,0,0|2,0,0]=4 11885 B17R0.192 CC(C)CNC(=O)COCCCCCCCCN 34a_102515433106_100000183291 [0,2,0,0,0,0|2,0,0]=4 11886 B17R0.192 CC(C)CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183291 [0,2,0,0,0,0|2,0,0]=4 11887 B17R0.192 CC(C)CNC(=O)CSCCCCCCCCO 62a_100000183291_100000033203 [0,2,0,0,0,0|2,0,0]=4 11888 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100000210953 [0,2,0,0,0,0|2,0,0]=4 11889 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 2708a_100000210953_100000078944 [0,2,0,0,0,0|2,0,0]=4 11890 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100000210953 [0,2,0,0,0,0|2,0,0]=4 11891 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 273464a_100000210953_100000078944 [0,2,0,0,0,0|2,0,0]=4 11892 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 512a_100000078944_100000210953 [0,2,0,0,0,0|2,0,0]=4 11893 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 512a_100000210953_100000078944 [0,2,0,0,0,0|2,0,0]=4 11894 B17R0.192 CC(C)NNC(=O)CCCCCCCCCCO 22a_100000741168_200000016029 [0,2,0,0,0,0|1,0,0]=3 11895 B17R0.192 CC(C)NNC(=O)NCCCCCCCCCO 273464a_100000078944_100000741168 [0,2,0,0,0,0|2,0,0]=4 11896 B17R0.192 CC(C)NNC(=O)NCCCCCCCCCO 512a_100000078944_100000741168 [0,2,0,0,0,0|2,0,0]=4 11897 B17R0.192 CC(C)NNC(=O)NCCCCCCCCCO 512a_100000741168_100000078944 [0,2,0,0,0,0|2,0,0]=4 11898 B17R0.192 CC(C)OCC(=O)CCCCCCCCCCO 1458a_100000745533_100009813290 [0,2,0,0,0,0|2,0,0]=4 11899 B17R0.192 CC(C)SCC(=O)CCCCCCCCCCO 1458a_100000241585_100009813290 [0,2,0,0,0,0|2,0,0]=4 11900 B17R0.192 CC(O)CNC(=O)CCCCCCCCCCO 240690a_100000210904_200000016029 [0,2,0,0,0,0|1,0,0]=3 11901 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100000210904 [0,2,0,0,0,0|2,0,0]=4 11902 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100000210904 [0,2,0,0,0,0|2,0,0]=4 11903 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 273464a_100000210904_100000078944 [0,2,0,0,0,0|2,0,0]=4 11904 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 512a_100000078944_100000210904 [0,2,0,0,0,0|2,0,0]=4 11905 B17R0.192 CC(O)CNC(=O)NCCCCCCCCCO 512a_100000210904_100000078944 [0,2,0,0,0,0|2,0,0]=4 11906 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)C 11a_100000210953_200015352897 [0,2,0,0,0,0|0,0,2]=4 11907 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)C 1626a_100000210953_200015352897 [0,2,0,0,0,0|0,0,2]=4 11908 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)C 240690a_100000210953_200015352897 [0,2,0,0,0,0|0,0,2]=4 11909 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)O 11a_100000210904_200015352897 [0,2,0,0,0,0|0,0,2]=4 11910 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)O 240690a_100000210904_200015352897 [0,2,0,0,0,0|0,0,2]=4 11911 B17R0.192 CCCCCCCCCC=CC(=O)NCC(F)F 11a_100000765723_200015352897 [0,2,0,0,0,0|0,0,2]=4 11912 B17R0.192 CCCCCCCCCC=CC(=O)NCC(F)F 1626a_100000765723_200015352897 [0,2,0,0,0,0|0,0,2]=4 11913 B17R0.192 CCCCCCCCCC=CC(=O)NCC(F)F 240690a_100000765723_200015352897 [0,2,0,0,0,0|0,0,2]=4 11914 B17R0.192 CCCCCCCCCC=CC(=O)NNC(C)C 22a_100000741168_200015352897 [0,2,0,0,0,0|0,0,2]=4 11915 B17R0.192 CCCCCCCCCCCC(=NNC(=O)C)C 4a_100000189765_100011216755 [0,2,0,0,0,0|1,0,1]=4 11916 B17R0.192 CCCCCCCCCCCC(=NNC(C)C)C 4a_100000741168_100011216755 [0,2,0,0,0,0|1,0,0]=3 11917 B17R0.192 CCCCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100011215454 [0,2,0,0,0,0|1,0,0]=3 11918 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100000210736_100000761012 [0,2,0,0,0,0|1,0,1]=4 11919 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100011215454 [0,2,0,0,0,0|1,0,1]=4 11920 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,2,0,0,0,0|1,0,1]=4 11921 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011215454 [0,2,0,0,0,0|1,0,0]=3 11922 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000210736_100000210312 [0,2,0,0,0,0|1,0,0]=3 11923 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [0,2,0,0,0,0|1,0,0]=3 11924 B17R0.192 CCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215454 [0,2,0,0,0,0|2,0,0]=4 11925 B17R0.192 CCCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011215454 [0,2,0,0,0,0|1,0,0]=3 11926 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,2,0,0,0,0|0,0,1]=3 11927 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100011215454 [0,2,0,0,0,0|1,0,1]=4 11928 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,2,0,0,0,0|1,0,1]=4 11929 B17R0.192 CCCCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100011215454 [0,2,0,0,0,0|1,0,0]=3 11930 B17R0.192 CCCCCCCCCCCC(=O)COC(F)F 1458a_200000719455_100011215454 [0,2,0,0,0,0|2,0,0]=4 11931 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,2,0,0,0,0|1,0,1]=4 11932 B17R0.192 CCCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100011215454 [0,2,0,0,0,0|1,0,0]=3 11933 B17R0.192 CCCCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100011215454 [0,2,0,0,0,0|2,0,0]=4 11934 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,2,0,0,0,0|0,0,0]=2 11935 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210736 [0,2,0,0,0,0|0,0,1]=3 11936 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210736 [0,2,0,0,0,0|0,0,1]=3 11937 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,2,0,0,0,0|0,0,0]=2 11938 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210736 [0,2,0,0,0,0|0,0,0]=2 11939 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210736 [0,2,0,0,0,0|0,0,0]=2 11940 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210736 [0,2,0,0,0,0|0,0,0]=2 11941 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210736 [0,2,0,0,0,0|0,0,0]=2 11942 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210736 [0,2,0,0,0,0|0,0,0]=2 11943 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210736 [0,2,0,0,0,0|0,0,0]=2 11944 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210736 [0,2,0,0,0,0|0,0,0]=2 11945 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210736 [0,2,0,0,0,0|0,0,0]=2 11946 B17R0.192 CCCCCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210736 [0,2,0,0,0,0|0,0,1]=3 11947 B17R0.192 CCCCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210736 [0,2,0,0,0,0|0,0,0]=2 11948 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,2,0,0,0,0|1,0,0]=3 11949 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_100020644155 [0,2,0,0,0,0|1,0,0]=3 11950 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_100020644155 [0,2,0,0,0,0|1,0,0]=3 11951 B17R0.192 CCCCCCCCCCCC(C)NCC(C)C 270004a_100000210953_100011216755 [0,2,0,0,0,0|1,0,1]=4 11952 B17R0.192 CCCCCCCCCCCC(C)NCC(C)O 270004a_100000210904_100011216755 [0,2,0,0,0,0|1,0,1]=4 11953 B17R0.192 CCCCCCCCCCCC(C)NCC(F)F 270004a_100000765723_100011216755 [0,2,0,0,0,0|1,0,1]=4 11954 B17R0.192 CCCCCCCCCCNC(=O)C=CC(C)C 11a_100000684558_100016268746 [0,2,0,0,0,0|2,0,0]=4 11955 B17R0.192 CCCCCCCCCCNC(=O)C=CC(C)C 1626a_100000684558_100016268746 [0,2,0,0,0,0|2,0,0]=4 11956 B17R0.192 CCCCCCCCCCNC(=O)C=CC(C)C 240690a_100000684558_100016268746 [0,2,0,0,0,0|2,0,0]=4 11957 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 11a_100000684558_100000181311 [0,2,0,0,0,0|2,0,0]=4 11958 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 1626a_100000684558_100000181311 [0,2,0,0,0,0|2,0,0]=4 11959 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 240690a_100000684558_100000181311 [0,2,0,0,0,0|2,0,0]=4 11960 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 527a_100000684558_100000181311 [0,2,0,0,0,0|2,0,0]=4 11961 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)O 1626a_100000684558_100000718519 [0,2,0,0,0,0|2,0,0]=4 11962 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 11a_100000684558_100000689311 [0,2,0,0,0,0|2,0,0]=4 11963 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 240690a_100000684558_100000689311 [0,2,0,0,0,0|2,0,0]=4 11964 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 527a_100000684558_100000689311 [0,2,0,0,0,0|2,0,0]=4 11965 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 11a_100000684558_100009452791 [0,2,0,0,0,0|2,0,0]=4 11966 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 1626a_100000684558_100009452791 [0,2,0,0,0,0|2,0,0]=4 11967 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 240690a_100000684558_100009452791 [0,2,0,0,0,0|2,0,0]=4 11968 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 11a_100000684558_100000194580 [0,2,0,0,0,0|1,0,1]=4 11969 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 1626a_100000684558_100000194580 [0,2,0,0,0,0|1,0,1]=4 11970 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 240690a_100000684558_100000194580 [0,2,0,0,0,0|1,0,1]=4 11971 B17R0.192 CCCCCCCCCCNC(=O)CNC(=O)C 527a_100000684558_100000194580 [0,2,0,0,0,0|1,0,1]=4 11972 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 11a_100000684558_100000745533 [0,2,0,0,0,0|2,0,0]=4 11973 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 1626a_100000684558_100000745533 [0,2,0,0,0,0|2,0,0]=4 11974 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 240690a_100000684558_100000745533 [0,2,0,0,0,0|2,0,0]=4 11975 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 527a_100000684558_100000745533 [0,2,0,0,0,0|2,0,0]=4 11976 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 11a_100000684558_100000241585 [0,2,0,0,0,0|2,0,0]=4 11977 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 1626a_100000684558_100000241585 [0,2,0,0,0,0|2,0,0]=4 11978 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 240690a_100000684558_100000241585 [0,2,0,0,0,0|2,0,0]=4 11979 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 527a_100000684558_100000241585 [0,2,0,0,0,0|2,0,0]=4 11980 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 2708a_100000684558_100000711301 [0,2,0,0,0,0|1,0,1]=4 11981 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 273464a_100000684558_100000711301 [0,2,0,0,0,0|1,0,1]=4 11982 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000684558 [0,2,0,0,0,0|1,0,1]=4 11983 B17R0.192 CCCCCCCCCCNC(=O)NCC(=O)N 512a_100000684558_100000711301 [0,2,0,0,0,0|1,0,1]=4 11984 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000684558 [0,2,0,0,0,0|1,0,0]=3 11985 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000684558_100000210953 [0,2,0,0,0,0|1,0,0]=3 11986 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000684558 [0,2,0,0,0,0|1,0,0]=3 11987 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000684558_100000210953 [0,2,0,0,0,0|1,0,0]=3 11988 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000684558 [0,2,0,0,0,0|1,0,0]=3 11989 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000684558_100000210953 [0,2,0,0,0,0|1,0,0]=3 11990 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 2708a_100000684558_100000210904 [0,2,0,0,0,0|1,0,0]=3 11991 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000684558 [0,2,0,0,0,0|1,0,0]=3 11992 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000684558_100000210904 [0,2,0,0,0,0|1,0,0]=3 11993 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000684558 [0,2,0,0,0,0|1,0,0]=3 11994 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000684558_100000210904 [0,2,0,0,0,0|1,0,0]=3 11995 B17R0.192 CCCCCCCCCCNC(=O)NCC(F)F 2708a_100000684558_100000765723 [0,2,0,0,0,0|1,0,0]=3 11996 B17R0.192 CCCCCCCCCCNC(=O)NCC(F)F 273464a_100000684558_100000765723 [0,2,0,0,0,0|1,0,0]=3 11997 B17R0.192 CCCCCCCCCCNC(=O)NCC(F)F 273464a_100000765723_100000684558 [0,2,0,0,0,0|1,0,0]=3 11998 B17R0.192 CCCCCCCCCCNC(=O)NCC(F)F 512a_100000684558_100000765723 [0,2,0,0,0,0|1,0,0]=3 11999 B17R0.192 CCCCCCCCCCNC(=O)NCC(F)F 512a_100000765723_100000684558 [0,2,0,0,0,0|1,0,0]=3 12000 B17R0.192 CCCCCCCCCCNC(=O)NNC(=O)C 273464a_100000684558_100000189765 [0,2,0,0,0,0|1,0,1]=4 12001 B17R0.192 CCCCCCCCCCNC(=O)NNC(=O)C 512a_100000189765_100000684558 [0,2,0,0,0,0|1,0,1]=4 12002 B17R0.192 CCCCCCCCCCNC(=O)NNC(C)C 273464a_100000684558_100000741168 [0,2,0,0,0,0|1,0,0]=3 12003 B17R0.192 CCCCCCCCCCNC(=O)NNC(C)C 512a_100000684558_100000741168 [0,2,0,0,0,0|1,0,0]=3 12004 B17R0.192 CCCCCCCCCCNC(=O)NNC(C)C 512a_100000741168_100000684558 [0,2,0,0,0,0|1,0,0]=3 12005 B17R0.192 CCCCCCCCCCOC(=O)CNC(C)C 2230a_100138425928_100000210668 [0,2,0,0,0,0|1,0,0]=3 12006 B17R0.192 CCCCCCCCCCOC(=O)CNC(C)C 34a_100138425928_100000210668 [0,2,0,0,0,0|1,0,0]=3 12007 B17R0.192 CCCCCCCCCCOC(=O)COC(C)C 34a_100000212225_100000210668 [0,2,0,0,0,0|2,0,0]=4 12008 B17R0.192 CCCCCCCCCCOC(=O)CSC(C)C 62a_100000210206_100000680656 [0,2,0,0,0,0|2,0,0]=4 12009 B17R0.192 CCCCCCCCCCOC(=O)CSC(C)C 62a_100000680656_100000210206 [0,2,0,0,0,0|2,0,0]=4 12010 B17R0.192 CCCCCCCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210670 [0,2,0,0,0,0|1,0,1]=4 12011 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 2230a_100000212291_100000183291 [0,2,0,0,0,0|1,0,0]=3 12012 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 34a_100000212291_100000183291 [0,2,0,0,0,0|1,0,0]=3 12013 B17R0.192 CCCCCCCCCNCC(=O)NNC(=O)C 2230a_100000212291_100000181415 [0,2,0,0,0,0|1,0,1]=4 12014 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 34a_100000210712_100000183291 [0,2,0,0,0,0|1,0,0]=3 12015 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 7a_100000210712_100000183291 [0,2,0,0,0,0|1,0,0]=3 12016 B17R0.192 CCCCCCCCCOCC(=O)NNC(=O)C 7a_100000210712_100000181415 [0,2,0,0,0,0|1,0,1]=4 12017 B17R0.192 CCCCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210670 [0,2,0,0,0,0|1,0,0]=3 12018 B17R0.192 CCCCCCCCCSCC(=O)NNC(=O)C 62a_100000181415_100000210670 [0,2,0,0,0,0|1,0,1]=4 12019 B17R0.192 CCCCCCCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210759 [0,2,0,0,0,0|1,0,1]=4 12020 B17R0.192 CCCCCCCNCCCC(=O)NCC(C)C 2230a_100000229938_100011194448 [0,2,0,0,0,0|1,0,0]=3 12021 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 34a_100000210272_100011194448 [0,2,0,0,0,0|1,0,0]=3 12022 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 7a_100000210272_100011194448 [0,2,0,0,0,0|1,0,0]=3 12023 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100000210614_100011194448 [0,2,0,0,0,0|1,0,0]=3 12024 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210316 [0,2,0,0,0,0|1,0,0]=3 12025 B17R0.192 CCCCCCOCCOCC(=O)NCC(C)C 34a_100000691444_100000183291 [0,2,0,0,0,0|2,0,0]=4 12026 B17R0.192 CCCCCCOCCOCC(=O)NCC(C)C 7a_100000691444_100000183291 [0,2,0,0,0,0|2,0,0]=4 12027 B17R0.192 CCCCNCCCCOCC(=O)NCC(C)C 34a_200011216965_100000183291 [0,2,0,0,0,0|2,0,0]=4 12028 B17R0.192 CCCCOCCCCOCC(=O)NCC(C)C 34a_200000760531_100000183291 [0,2,0,0,0,0|2,0,0]=4 12029 B17R0.192 CCCCOCCCCOCC(=O)NCC(C)C 7a_200000760531_100000183291 [0,2,0,0,0,0|2,0,0]=4 12030 B17R0.192 CCCCOCCOCCCC(=O)NCC(C)C 34a_100000210238_100011194448 [0,2,0,0,0,0|2,0,0]=4 12031 B17R0.192 CCCCOCCOCCCC(=O)NCC(C)C 7a_100000210238_100011194448 [0,2,0,0,0,0|2,0,0]=4 12032 B17R0.192 CCCCOCCSCCCC(=O)NCC(C)C 62a_100000743108_100011194448 [0,2,0,0,0,0|2,0,0]=4 12033 B17R0.192 CCCCOCCSCCCC(=O)NCC(C)C 62a_100011194448_100000743108 [0,2,0,0,0,0|2,0,0]=4 12034 B17R0.192 CCCCSCCNCCCC(=O)NCC(C)C 2230a_100025743550_100011194448 [0,2,0,0,0,0|2,0,0]=4 12035 B17R0.192 CCCCSCCOCCCC(=O)NCC(C)C 34a_200000230436_100011194448 [0,2,0,0,0,0|2,0,0]=4 12036 B17R0.192 CCCCSCCOCCCC(=O)NCC(C)C 7a_200000230436_100011194448 [0,2,0,0,0,0|2,0,0]=4 12037 B17R0.192 CCCOCCCNCCCC(=O)NCC(C)C 2230a_100011217757_100011194448 [0,2,0,0,0,0|2,0,0]=4 12038 B17R0.192 CCCOCCCNCCCC(=O)NCC(C)C 34a_100011217757_100011194448 [0,2,0,0,0,0|2,0,0]=4 12039 B17R0.192 CNCCCCCOCCCC(=O)NCC(C)C 34a_100000722520_100011194448 [0,2,0,0,0,0|2,0,0]=4 12040 B17R0.192 COCCCCCNCCCC(=O)NCC(C)C 2230a_100000747528_100011194448 [0,2,0,0,0,0|2,0,0]=4 12041 B17R0.192 COCCCCCNCCCC(=O)NCC(C)C 34a_100000747528_100011194448 [0,2,0,0,0,0|2,0,0]=4 12042 B17R0.192 C[S+](C)CCC(=O)CCCCCCCCCCO 1458a_100009452791_100009813290 [0,2,0,0,0,0|2,0,0]=4 12043 B17R0.192 NC(=O)CNC(=O)CCCCCCCCCCO 240690a_100000711301_200000016029 [0,2,0,0,0,0|1,0,1]=4 12044 B17R0.192 O=C(CCCCCCCCCCO)NCC(F)F 240690a_100000765723_200000016029 [0,2,0,0,0,0|1,0,0]=3 12045 B17R0.192 O=C(NCCCCCCCCCO)NCC(F)F 2708a_100000078944_100000765723 [0,2,0,0,0,0|2,0,0]=4 12046 B17R0.192 O=C(NCCCCCCCCCO)NCC(F)F 273464a_100000078944_100000765723 [0,2,0,0,0,0|2,0,0]=4 12047 B17R0.192 O=C(NCCCCCCCCCO)NCC(F)F 273464a_100000765723_100000078944 [0,2,0,0,0,0|2,0,0]=4 12048 B17R0.192 O=C(NCCCCCCCCCO)NCC(F)F 512a_100000078944_100000765723 [0,2,0,0,0,0|2,0,0]=4 12049 B17R0.192 O=C(NCCCCCCCCCO)NCC(F)F 512a_100000765723_100000078944 [0,2,0,0,0,0|2,0,0]=4 12050 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000731252 [0,2,0,0,0,0|1,0,0]=3 12051 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000690238_100011215454 [0,2,0,0,0,0|1,0,0]=3 12052 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCO 1458a_100000690238_100009813290 [0,2,0,0,0,0|2,0,0]=4 12053 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000690238 [0,2,0,0,0,0|2,0,0]=4 12054 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000690238 [0,2,0,0,0,0|2,0,0]=4 12055 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000690238 [0,2,0,0,0,0|2,0,0]=4 12056 B17R0.3110 C#CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000690238 [0,2,0,0,0,0|2,0,0]=4 12057 B17R0.3110 C#CCCNC(=O)C=CCCCCCCCCC 11a_100000755551_200015352897 [0,2,0,0,0,0|0,0,2]=4 12058 B17R0.3110 C#CCCNC(=O)C=CCCCCCCCCC 1626a_100000755551_200015352897 [0,2,0,0,0,0|0,0,2]=4 12059 B17R0.3110 C#CCCNC(=O)C=CCCCCCCCCC 240690a_100000755551_200015352897 [0,2,0,0,0,0|0,0,2]=4 12060 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 11a_100000755551_100000210736 [0,2,0,0,0,0|0,0,0]=2 12061 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 1626a_100000755551_100000210736 [0,2,0,0,0,0|0,0,0]=2 12062 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 240690a_100000755551_100000210736 [0,2,0,0,0,0|0,0,0]=2 12063 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCO 240690a_100000755551_200000016029 [0,2,0,0,0,0|1,0,0]=3 12064 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000755551 [0,2,0,0,0,0|1,0,0]=3 12065 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 2708a_100000755551_100000684558 [0,2,0,0,0,0|1,0,0]=3 12066 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000755551 [0,2,0,0,0,0|1,0,0]=3 12067 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 273464a_100000755551_100000684558 [0,2,0,0,0,0|1,0,0]=3 12068 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 512a_100000684558_100000755551 [0,2,0,0,0,0|1,0,0]=3 12069 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCC 512a_100000755551_100000684558 [0,2,0,0,0,0|1,0,0]=3 12070 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000755551 [0,2,0,0,0,0|2,0,0]=4 12071 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCO 2708a_100000755551_100000078944 [0,2,0,0,0,0|2,0,0]=4 12072 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000755551 [0,2,0,0,0,0|2,0,0]=4 12073 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCO 273464a_100000755551_100000078944 [0,2,0,0,0,0|2,0,0]=4 12074 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000755551 [0,2,0,0,0,0|2,0,0]=4 12075 B17R0.3110 C#CCCNC(=O)NCCCCCCCCCO 512a_100000755551_100000078944 [0,2,0,0,0,0|2,0,0]=4 12076 B17R0.3110 C#CCNCC(=O)OCCCCCCCCCC 34a_100000212058_100000210668 [0,2,0,0,0,0|1,0,1]=4 12077 B17R0.3110 C#CCOCC(=O)CCCCCCCCCCC 1458a_100011251226_100011215454 [0,2,0,0,0,0|1,0,1]=4 12078 B17R0.3110 C/C=C/C=CC(=O)CCCCCCCCCCC 1458a_100000185730_100011215454 [0,2,0,0,0,0|1,0,1]=4 12079 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [0,2,0,0,0,0|1,0,0]=3 12080 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [0,2,0,0,0,0|1,0,0]=3 12081 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCO 1458a_100000766728_100009813290 [0,2,0,0,0,0|2,0,0]=4 12082 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 11a_100000684558_100000766728 [0,2,0,0,0,0|2,0,0]=4 12083 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 1626a_100000684558_100000766728 [0,2,0,0,0,0|2,0,0]=4 12084 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 240690a_100000684558_100000766728 [0,2,0,0,0,0|2,0,0]=4 12085 B17R0.3110 C=CCCCC(=O)NCCCCCCCCCC 527a_100000684558_100000766728 [0,2,0,0,0,0|2,0,0]=4 12086 B17R0.3110 C=CCCNC(=O)C=CCCCCCCCCC 11a_100015191253_200015352897 [0,2,0,0,0,0|0,0,2]=4 12087 B17R0.3110 C=CCCNC(=O)C=CCCCCCCCCC 1626a_100015191253_200015352897 [0,2,0,0,0,0|0,0,2]=4 12088 B17R0.3110 C=CCCNC(=O)C=CCCCCCCCCC 240690a_100015191253_200015352897 [0,2,0,0,0,0|0,0,2]=4 12089 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 11a_100015191253_100000210736 [0,2,0,0,0,0|0,0,0]=2 12090 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 1626a_100015191253_100000210736 [0,2,0,0,0,0|0,0,0]=2 12091 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 240690a_100015191253_100000210736 [0,2,0,0,0,0|0,0,0]=2 12092 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCO 240690a_100015191253_200000016029 [0,2,0,0,0,0|1,0,0]=3 12093 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 2708a_100000684558_100015191253 [0,2,0,0,0,0|1,0,0]=3 12094 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 2708a_100015191253_100000684558 [0,2,0,0,0,0|1,0,0]=3 12095 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 273464a_100000684558_100015191253 [0,2,0,0,0,0|1,0,0]=3 12096 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 273464a_100015191253_100000684558 [0,2,0,0,0,0|1,0,0]=3 12097 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 512a_100000684558_100015191253 [0,2,0,0,0,0|1,0,0]=3 12098 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCC 512a_100015191253_100000684558 [0,2,0,0,0,0|1,0,0]=3 12099 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100015191253 [0,2,0,0,0,0|2,0,0]=4 12100 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCO 2708a_100015191253_100000078944 [0,2,0,0,0,0|2,0,0]=4 12101 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100015191253 [0,2,0,0,0,0|2,0,0]=4 12102 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCO 273464a_100015191253_100000078944 [0,2,0,0,0,0|2,0,0]=4 12103 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100015191253 [0,2,0,0,0,0|2,0,0]=4 12104 B17R0.3110 C=CCCNC(=O)NCCCCCCCCCO 512a_100015191253_100000078944 [0,2,0,0,0,0|2,0,0]=4 12105 B17R0.3110 C=CCCNC(C)CCCCCCCCCCC 270004a_100015191253_100011216755 [0,2,0,0,0,0|1,0,1]=4 12106 B17R0.3110 C=CCNCC(=O)OCCCCCCCCCC 2230a_100020586998_100000210668 [0,2,0,0,0,0|1,0,1]=4 12107 B17R0.3110 C=CCNNC(=O)CCCCCCCCCCC 22a_100020588587_100000210736 [0,2,0,0,0,0|0,0,1]=3 12108 B17R0.3110 C=CCNNC(=O)CCCCCCCCCCO 22a_100020588587_200000016029 [0,2,0,0,0,0|1,0,1]=4 12109 B17R0.3110 C=CCNNC(=O)NCCCCCCCCCC 273464a_100000684558_100020588587 [0,2,0,0,0,0|1,0,1]=4 12110 B17R0.3110 C=CCNNC(=O)NCCCCCCCCCC 512a_100000684558_100020588587 [0,2,0,0,0,0|1,0,1]=4 12111 B17R0.3110 C=CCNNC(=O)NCCCCCCCCCC 512a_100020588587_100000684558 [0,2,0,0,0,0|1,0,1]=4 12112 B17R0.3110 C=CCSCC(=O)CCCCCCCCCCC 1458a_100000230395_100011215454 [0,2,0,0,0,0|1,0,1]=4 12113 B17R0.3110 C=COCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000039644 [0,2,0,0,0,0|1,0,1]=4 12114 B17R0.3110 CC#CCNC(=O)C=CCCCCCCCCC 11a_100000685387_200015352897 [0,2,0,0,0,0|0,0,2]=4 12115 B17R0.3110 CC#CCNC(=O)C=CCCCCCCCCC 1626a_100000685387_200015352897 [0,2,0,0,0,0|0,0,2]=4 12116 B17R0.3110 CC#CCNC(=O)CCCCCCCCCCC 11a_100000685387_100000210736 [0,2,0,0,0,0|0,0,0]=2 12117 B17R0.3110 CC#CCNC(=O)CCCCCCCCCCC 1626a_100000685387_100000210736 [0,2,0,0,0,0|0,0,0]=2 12118 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 2708a_100000684558_100000685387 [0,2,0,0,0,0|1,0,0]=3 12119 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 273464a_100000684558_100000685387 [0,2,0,0,0,0|1,0,0]=3 12120 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 273464a_100000685387_100000684558 [0,2,0,0,0,0|1,0,0]=3 12121 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 512a_100000684558_100000685387 [0,2,0,0,0,0|1,0,0]=3 12122 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCC 512a_100000685387_100000684558 [0,2,0,0,0,0|1,0,0]=3 12123 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000685387 [0,2,0,0,0,0|2,0,0]=4 12124 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000685387 [0,2,0,0,0,0|2,0,0]=4 12125 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCO 273464a_100000685387_100000078944 [0,2,0,0,0,0|2,0,0]=4 12126 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000685387 [0,2,0,0,0,0|2,0,0]=4 12127 B17R0.3110 CC#CCNC(=O)NCCCCCCCCCO 512a_100000685387_100000078944 [0,2,0,0,0,0|2,0,0]=4 12128 B17R0.3110 CC/C=C/CC(=O)CCCCCCCCCCC 1458a_100016274230_100011215454 [0,2,0,0,0,0|1,0,0]=3 12129 B17R0.3110 CC/C=C/CC(=O)CCCCCCCCCCO 1458a_100016274230_100009813290 [0,2,0,0,0,0|2,0,0]=4 12130 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 11a_100000684558_100016274230 [0,2,0,0,0,0|2,0,0]=4 12131 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 1626a_100000684558_100016274230 [0,2,0,0,0,0|2,0,0]=4 12132 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 240690a_100000684558_100016274230 [0,2,0,0,0,0|2,0,0]=4 12133 B17R0.3110 CC/C=C/CC(=O)NCCCCCCCCCC 527a_100000684558_100016274230 [0,2,0,0,0,0|2,0,0]=4 12134 B17R0.3110 CC/C=C\CC(=O)CCCCCCCCCCC 1458a_100000210736_100103147603 [0,2,0,0,0,0|1,0,0]=3 12135 B17R0.3110 CCC#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100009813939 [0,2,0,0,0,0|1,0,0]=3 12136 B17R0.3110 CCC=NNC(=O)CCCCCCCCCCC 4a_200011219152_100000210100 [0,2,0,0,0,0|0,0,0]=2 12137 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCC 1458a_200011218047_100011215454 [0,2,0,0,0,0|1,0,0]=3 12138 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCO 1458a_200011218047_100009813290 [0,2,0,0,0,0|2,0,0]=4 12139 B17R0.3110 CCCC#CC(=O)NCCCCCCCCCC 240690a_100000684558_200011218047 [0,2,0,0,0,0|2,0,0]=4 12140 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCC 1458a_100000212230_100011215454 [0,2,0,0,0,0|1,0,0]=3 12141 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCO 1458a_100000212230_100009813290 [0,2,0,0,0,0|2,0,0]=4 12142 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212230 [0,2,0,0,0,0|2,0,0]=4 12143 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212230 [0,2,0,0,0,0|2,0,0]=4 12144 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212230 [0,2,0,0,0,0|2,0,0]=4 12145 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [0,2,0,0,0,0|2,0,0]=4 12146 B17R0.3110 CCCCCCCCCC=CC(=O)NCCC#N 11a_100000720768_200015352897 [0,2,0,0,0,0|0,0,2]=4 12147 B17R0.3110 CCCCCCCCCC=CC(=O)NCCC#N 1626a_100000720768_200015352897 [0,2,0,0,0,0|0,0,2]=4 12148 B17R0.3110 CCCCCCCCCC=CC(=O)NCCC#N 240690a_100000720768_200015352897 [0,2,0,0,0,0|0,0,2]=4 12149 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 11a_100000102301_200015352897 [0,2,0,0,0,0|0,0,2]=4 12150 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_200015352897 [0,2,0,0,0,0|0,0,2]=4 12151 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_200015352897 [0,2,0,0,0,0|0,0,2]=4 12152 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCF 11a_100015189416_200015352897 [0,2,0,0,0,0|0,0,2]=4 12153 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCF 1626a_100015189416_200015352897 [0,2,0,0,0,0|0,0,2]=4 12154 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCF 240690a_100015189416_200015352897 [0,2,0,0,0,0|0,0,2]=4 12155 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCO 240690a_100000182051_200015352897 [0,2,0,0,0,0|0,0,2]=4 12156 B17R0.3110 CCCCCCCCCC=CC(=O)NCCOC 1626a_100000209980_200015352897 [0,2,0,0,0,0|0,0,2]=4 12157 B17R0.3110 CCCCCCCCCC=CC(=O)NCCOC 240690a_100000209980_200015352897 [0,2,0,0,0,0|0,0,2]=4 12158 B17R0.3110 CCCCCCCCCC=CC(=O)NCCSC 11a_100020590264_200015352897 [0,2,0,0,0,0|0,0,2]=4 12159 B17R0.3110 CCCCCCCCCC=CC(=O)NCCSC 1626a_100020590264_200015352897 [0,2,0,0,0,0|0,0,2]=4 12160 B17R0.3110 CCCCCCCCCC=CC(=O)NCCSC 240690a_100020590264_200015352897 [0,2,0,0,0,0|0,0,2]=4 12161 B17R0.3110 CCCCCCCCCC=CC(=O)NNCCC 22a_100000740057_200015352897 [0,2,0,0,0,0|0,0,2]=4 12162 B17R0.3110 CCCCCCCCCC=CC(=O)NNCCO 22a_100000210001_200015352897 [0,2,0,0,0,0|0,0,2]=4 12163 B17R0.3110 CCCCCCCCCCCC(=NNCCC)C 4a_100000740057_100011216755 [0,2,0,0,0,0|1,0,0]=3 12164 B17R0.3110 CCCCCCCCCCCC(=NNCCO)C 4a_100000210001_100011216755 [0,2,0,0,0,0|1,0,0]=3 12165 B17R0.3110 CCCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100011215454 [0,2,0,0,0,0|1,0,0]=3 12166 B17R0.3110 CCCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100011215454 [0,2,0,0,0,0|1,0,0]=3 12167 B17R0.3110 CCCCCCCCCCCC(=O)CC#CCO 1458a_100000210736_200000047223 [0,2,0,0,0,0|1,0,1]=4 12168 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011215454 [0,2,0,0,0,0|1,0,0]=3 12169 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000210736_100000211468 [0,2,0,0,0,0|1,0,0]=3 12170 B17R0.3110 CCCCCCCCCCCC(=O)CCCCF 1458a_100000210736_100000729493 [0,2,0,0,0,0|1,0,0]=3 12171 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000210736_100000210776 [0,2,0,0,0,0|1,0,0]=3 12172 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011215454 [0,2,0,0,0,0|1,0,0]=3 12173 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000210736_100000740836 [0,2,0,0,0,0|1,0,0]=3 12174 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011215454 [0,2,0,0,0,0|1,0,0]=3 12175 B17R0.3110 CCCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011215454 [0,2,0,0,0,0|1,0,0]=3 12176 B17R0.3110 CCCCCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100011215454 [0,2,0,0,0,0|2,0,0]=4 12177 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000210736_100011215890 [0,2,0,0,0,0|1,0,0]=3 12178 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100011215454 [0,2,0,0,0,0|1,0,0]=3 12179 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000210736_100000757381 [0,2,0,0,0,0|1,0,0]=3 12180 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100011215454 [0,2,0,0,0,0|1,0,0]=3 12181 B17R0.3110 CCCCCCCCCCCC(=O)COCCC 1458a_100000745993_100011215454 [0,2,0,0,0,0|1,0,0]=3 12182 B17R0.3110 CCCCCCCCCCCC(=O)COCCO 1458a_100000708028_100011215454 [0,2,0,0,0,0|1,0,0]=3 12183 B17R0.3110 CCCCCCCCCCCC(=O)CSCC#N 1458a_100000150266_100011215454 [0,2,0,0,0,0|1,0,1]=4 12184 B17R0.3110 CCCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100011215454 [0,2,0,0,0,0|1,0,0]=3 12185 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210736 [0,2,0,0,0,0|0,0,0]=2 12186 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210736 [0,2,0,0,0,0|0,0,0]=2 12187 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210736 [0,2,0,0,0,0|0,0,0]=2 12188 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [0,2,0,0,0,0|0,0,0]=2 12189 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [0,2,0,0,0,0|0,0,0]=2 12190 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [0,2,0,0,0,0|0,0,0]=2 12191 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210736 [0,2,0,0,0,0|0,0,0]=2 12192 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210736 [0,2,0,0,0,0|0,0,0]=2 12193 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210736 [0,2,0,0,0,0|0,0,0]=2 12194 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210736 [0,2,0,0,0,0|0,0,0]=2 12195 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210736 [0,2,0,0,0,0|0,0,0]=2 12196 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210736 [0,2,0,0,0,0|0,0,0]=2 12197 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 34a_100007860320_200000210301 [0,2,0,0,0,0|0,0,0]=2 12198 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 7a_100007860320_200000210301 [0,2,0,0,0,0|0,0,0]=2 12199 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 34a_100007860320_200025704644 [0,2,0,0,0,0|0,0,0]=2 12200 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 7a_100007860320_200025704644 [0,2,0,0,0,0|0,0,0]=2 12201 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210736 [0,2,0,0,0,0|0,0,0]=2 12202 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210736 [0,2,0,0,0,0|0,0,0]=2 12203 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210736 [0,2,0,0,0,0|0,0,0]=2 12204 B17R0.3110 CCCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210736 [0,2,0,0,0,0|0,0,0]=2 12205 B17R0.3110 CCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210736 [0,2,0,0,0,0|0,0,0]=2 12206 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [0,2,0,0,0,0|1,0,0]=3 12207 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [0,2,0,0,0,0|1,0,0]=3 12208 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [0,2,0,0,0,0|1,0,0]=3 12209 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [0,2,0,0,0,0|1,0,0]=3 12210 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [0,2,0,0,0,0|1,0,0]=3 12211 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [0,2,0,0,0,0|1,0,0]=3 12212 B17R0.3110 CCCCCCCCCCCC(=O)OCNCC 2230a_100015525214_100020644155 [0,2,0,0,0,0|0,0,0]=2 12213 B17R0.3110 CCCCCCCCCCCC(=O)OCOCC 34a_100121572206_100020644155 [0,2,0,0,0,0|1,0,0]=3 12214 B17R0.3110 CCCCCCCCCCCC(=O)OCSCC 62a_100000210202_100020644155 [0,2,0,0,0,0|1,0,0]=3 12215 B17R0.3110 CCCCCCCCCCCC(=O)OCSCF 62a_100015361967_100020644155 [0,2,0,0,0,0|1,0,0]=3 12216 B17R0.3110 CCCCCCCCCCCC(C)NCCC#N 270004a_100000720768_100011216755 [0,2,0,0,0,0|1,0,1]=4 12217 B17R0.3110 CCCCCCCCCCCC(C)NCCCC 270004a_100000102301_100011216755 [0,2,0,0,0,0|1,0,1]=4 12218 B17R0.3110 CCCCCCCCCCCC(C)NCCCF 270004a_100015189416_100011216755 [0,2,0,0,0,0|1,0,1]=4 12219 B17R0.3110 CCCCCCCCCCCC(C)NCCCO 270004a_100000182051_100011216755 [0,2,0,0,0,0|1,0,1]=4 12220 B17R0.3110 CCCCCCCCCCCC(C)NCCOC 270004a_100000209980_100011216755 [0,2,0,0,0,0|1,0,1]=4 12221 B17R0.3110 CCCCCCCCCCCC(C)NCCSC 270004a_100020590264_100011216755 [0,2,0,0,0,0|1,0,1]=4 12222 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 11a_100000684558_100016285016 [0,2,0,0,0,0|2,0,0]=4 12223 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 1626a_100000684558_100016285016 [0,2,0,0,0,0|2,0,0]=4 12224 B17R0.3110 CCCCCCCCCCNC(=O)C=CCOC 240690a_100000684558_100016285016 [0,2,0,0,0,0|2,0,0]=4 12225 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 11a_100000684558_100016266692 [0,2,0,0,0,0|2,0,0]=4 12226 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 1626a_100000684558_100016266692 [0,2,0,0,0,0|2,0,0]=4 12227 B17R0.3110 CCCCCCCCCCNC(=O)C=COCC 240690a_100000684558_100016266692 [0,2,0,0,0,0|2,0,0]=4 12228 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 11a_100000684558_100000075515 [0,2,0,0,0,0|2,0,0]=4 12229 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 1626a_100000684558_100000075515 [0,2,0,0,0,0|2,0,0]=4 12230 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 240690a_100000684558_100000075515 [0,2,0,0,0,0|2,0,0]=4 12231 B17R0.3110 CCCCCCCCCCNC(=O)CCCC#N 527a_100000684558_100000075515 [0,2,0,0,0,0|2,0,0]=4 12232 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [0,2,0,0,0,0|2,0,0]=4 12233 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [0,2,0,0,0,0|2,0,0]=4 12234 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [0,2,0,0,0,0|2,0,0]=4 12235 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [0,2,0,0,0,0|2,0,0]=4 12236 B17R0.3110 CCCCCCCCCCNC(=O)CCCCO 1626a_100000684558_100000695505 [0,2,0,0,0,0|2,0,0]=4 12237 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 11a_100000684558_100000741012 [0,2,0,0,0,0|2,0,0]=4 12238 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 1626a_100000684558_100000741012 [0,2,0,0,0,0|2,0,0]=4 12239 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 240690a_100000684558_100000741012 [0,2,0,0,0,0|2,0,0]=4 12240 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 527a_100000684558_100000741012 [0,2,0,0,0,0|2,0,0]=4 12241 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 11a_100000684558_100000173376 [0,2,0,0,0,0|2,0,0]=4 12242 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 1626a_100000684558_100000173376 [0,2,0,0,0,0|2,0,0]=4 12243 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 240690a_100000684558_100000173376 [0,2,0,0,0,0|2,0,0]=4 12244 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 527a_100000684558_100000173376 [0,2,0,0,0,0|2,0,0]=4 12245 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 11a_100000684558_100000749530 [0,2,0,0,0,0|2,0,0]=4 12246 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 1626a_100000684558_100000749530 [0,2,0,0,0,0|2,0,0]=4 12247 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 240690a_100000684558_100000749530 [0,2,0,0,0,0|2,0,0]=4 12248 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 527a_100000684558_100000749530 [0,2,0,0,0,0|2,0,0]=4 12249 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 11a_100000684558_100000230768 [0,2,0,0,0,0|2,0,0]=4 12250 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 1626a_100000684558_100000230768 [0,2,0,0,0,0|2,0,0]=4 12251 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 240690a_100000684558_100000230768 [0,2,0,0,0,0|2,0,0]=4 12252 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 527a_100000684558_100000230768 [0,2,0,0,0,0|2,0,0]=4 12253 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 11a_100000684558_100000745993 [0,2,0,0,0,0|2,0,0]=4 12254 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 1626a_100000684558_100000745993 [0,2,0,0,0,0|2,0,0]=4 12255 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 240690a_100000684558_100000745993 [0,2,0,0,0,0|2,0,0]=4 12256 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 527a_100000684558_100000745993 [0,2,0,0,0,0|2,0,0]=4 12257 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 1626a_100000684558_100000708028 [0,2,0,0,0,0|2,0,0]=4 12258 B17R0.3110 CCCCCCCCCCNC(=O)COCCO 240690a_100000684558_100000708028 [0,2,0,0,0,0|2,0,0]=4 12259 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 11a_100000684558_100000217233 [0,2,0,0,0,0|2,0,0]=4 12260 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 1626a_100000684558_100000217233 [0,2,0,0,0,0|2,0,0]=4 12261 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 240690a_100000684558_100000217233 [0,2,0,0,0,0|2,0,0]=4 12262 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 527a_100000684558_100000217233 [0,2,0,0,0,0|2,0,0]=4 12263 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 2708a_100000684558_100000720768 [0,2,0,0,0,0|1,0,0]=3 12264 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 2708a_100000720768_100000684558 [0,2,0,0,0,0|1,0,0]=3 12265 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 273464a_100000684558_100000720768 [0,2,0,0,0,0|1,0,0]=3 12266 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 273464a_100000720768_100000684558 [0,2,0,0,0,0|1,0,0]=3 12267 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 512a_100000684558_100000720768 [0,2,0,0,0,0|1,0,0]=3 12268 B17R0.3110 CCCCCCCCCCNC(=O)NCCC#N 512a_100000720768_100000684558 [0,2,0,0,0,0|1,0,0]=3 12269 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000684558 [0,2,0,0,0,0|1,0,0]=3 12270 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000684558_100000102301 [0,2,0,0,0,0|1,0,0]=3 12271 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000684558 [0,2,0,0,0,0|1,0,0]=3 12272 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000684558_100000102301 [0,2,0,0,0,0|1,0,0]=3 12273 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000684558 [0,2,0,0,0,0|1,0,0]=3 12274 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000684558_100000102301 [0,2,0,0,0,0|1,0,0]=3 12275 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100000684558_100015189416 [0,2,0,0,0,0|1,0,0]=3 12276 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000684558 [0,2,0,0,0,0|1,0,0]=3 12277 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100000684558_100015189416 [0,2,0,0,0,0|1,0,0]=3 12278 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000684558 [0,2,0,0,0,0|1,0,0]=3 12279 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100000684558_100015189416 [0,2,0,0,0,0|1,0,0]=3 12280 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000684558 [0,2,0,0,0,0|1,0,0]=3 12281 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 2708a_100000684558_100000182051 [0,2,0,0,0,0|1,0,0]=3 12282 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000684558 [0,2,0,0,0,0|1,0,0]=3 12283 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000684558_100000182051 [0,2,0,0,0,0|1,0,0]=3 12284 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 512a_100000684558_100000182051 [0,2,0,0,0,0|1,0,0]=3 12285 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 2708a_100000684558_100000209980 [0,2,0,0,0,0|1,0,0]=3 12286 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000684558 [0,2,0,0,0,0|1,0,0]=3 12287 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 273464a_100000684558_100000209980 [0,2,0,0,0,0|1,0,0]=3 12288 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 2708a_100000684558_100020590264 [0,2,0,0,0,0|1,0,0]=3 12289 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000684558 [0,2,0,0,0,0|1,0,0]=3 12290 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 273464a_100000684558_100020590264 [0,2,0,0,0,0|1,0,0]=3 12291 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000684558 [0,2,0,0,0,0|1,0,0]=3 12292 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 512a_100000684558_100020590264 [0,2,0,0,0,0|1,0,0]=3 12293 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 512a_100020590264_100000684558 [0,2,0,0,0,0|1,0,0]=3 12294 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 273464a_100000684558_100000740057 [0,2,0,0,0,0|1,0,0]=3 12295 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 512a_100000684558_100000740057 [0,2,0,0,0,0|1,0,0]=3 12296 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 512a_100000740057_100000684558 [0,2,0,0,0,0|1,0,0]=3 12297 B17R0.3110 CCCCCCCCCCNC(=O)NNCCO 273464a_100000684558_100000210001 [0,2,0,0,0,0|1,0,0]=3 12298 B17R0.3110 CCCCCCCCCCNC(=O)NNCCO 512a_100000684558_100000210001 [0,2,0,0,0,0|1,0,0]=3 12299 B17R0.3110 CCCCCCCCCCOC(=O)CNCCF 34a_100000724931_100000210668 [0,2,0,0,0,0|1,0,0]=3 12300 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 2230a_100016997473_100000210668 [0,2,0,0,0,0|1,0,0]=3 12301 B17R0.3110 CCCCCCCCCCOC(=O)CNCCO 34a_100016990907_100000210668 [0,2,0,0,0,0|1,0,0]=3 12302 B17R0.3110 CCCCCCCCCCOC(=O)COCCBr 34a_100000211926_100000210668 [0,2,0,0,0,0|2,0,0]=4 12303 B17R0.3110 CCCCCCCCCCOC(=O)COCCC 34a_100000210258_100000210668 [0,2,0,0,0,0|2,0,0]=4 12304 B17R0.3110 CCCCCCCCCCOC(=O)COCCN 34a_100000210304_100000210668 [0,2,0,0,0,0|2,0,0]=4 12305 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000210303_100000680656 [0,2,0,0,0,0|2,0,0]=4 12306 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000680656_100000210303 [0,2,0,0,0,0|2,0,0]=4 12307 B17R0.3110 CCCCCCCCCCOC(=O)CSCCF 62a_100000680656_100011217306 [0,2,0,0,0,0|2,0,0]=4 12308 B17R0.3110 CCCCCCCCCCOC(=O)CSCCF 62a_100011217306_100000680656 [0,2,0,0,0,0|2,0,0]=4 12309 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000211926_100000680656 [0,2,0,0,0,0|2,0,0]=4 12310 B17R0.3110 CCCCCCCCCCOC(=O)CSCCO 62a_100000680656_100000211926 [0,2,0,0,0,0|2,0,0]=4 12311 B17R0.3110 CCCCCCCCCCOC(=O)CSCOC 62a_100000680656_100000766300 [0,2,0,0,0,0|2,0,0]=4 12312 B17R0.3110 CCCCCCCCCCOC(=O)CSCOC 62a_100000766300_100000680656 [0,2,0,0,0,0|2,0,0]=4 12313 B17R0.3110 CCCCCCCCCCOC(=O)CSCSC 62a_100000680656_100011218213 [0,2,0,0,0,0|2,0,0]=4 12314 B17R0.3110 CCCCCCCCCCOC(=O)CSCSC 62a_100011218213_100000680656 [0,2,0,0,0,0|2,0,0]=4 12315 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 2230a_100000212291_200012276598 [0,2,0,0,0,0|2,0,0]=4 12316 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 34a_100000212291_200012276598 [0,2,0,0,0,0|2,0,0]=4 12317 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 2230a_100000212291_100000182744 [0,2,0,0,0,0|1,0,0]=3 12318 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 34a_100000212291_100000182744 [0,2,0,0,0,0|1,0,0]=3 12319 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 2230a_100000212291_100000183275 [0,2,0,0,0,0|1,0,0]=3 12320 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100011214924 [0,2,0,0,0,0|1,0,0]=3 12321 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 34a_100000212291_100000183275 [0,2,0,0,0,0|1,0,0]=3 12322 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 2230a_100000212291_100000211628 [0,2,0,0,0,0|2,0,0]=4 12323 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 34a_100000212291_100000211628 [0,2,0,0,0,0|2,0,0]=4 12324 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 2230a_100000212291_200000040189 [0,2,0,0,0,0|2,0,0]=4 12325 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 34a_100000212291_200000040189 [0,2,0,0,0,0|2,0,0]=4 12326 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 34a_100000210712_200012276598 [0,2,0,0,0,0|2,0,0]=4 12327 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 7a_100000210712_200012276598 [0,2,0,0,0,0|2,0,0]=4 12328 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 34a_100000210712_100000182744 [0,2,0,0,0,0|1,0,0]=3 12329 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 7a_100000210712_100000182744 [0,2,0,0,0,0|1,0,0]=3 12330 B17R0.3110 CCCCCCCCCOCC(=O)NCCOC 34a_100000210712_100000183275 [0,2,0,0,0,0|1,0,0]=3 12331 B17R0.3110 CCCCCCCCCOCC(=O)NCCOC 7a_100000210712_100000183275 [0,2,0,0,0,0|1,0,0]=3 12332 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 34a_100000210712_100000211628 [0,2,0,0,0,0|2,0,0]=4 12333 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 7a_100000210712_100000211628 [0,2,0,0,0,0|2,0,0]=4 12334 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 34a_100000210712_200000040189 [0,2,0,0,0,0|2,0,0]=4 12335 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 7a_100000210712_200000040189 [0,2,0,0,0,0|2,0,0]=4 12336 B17R0.3110 CCCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210670 [0,2,0,0,0,0|2,0,0]=4 12337 B17R0.3110 CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210670 [0,2,0,0,0,0|1,0,0]=3 12338 B17R0.3110 CCCCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210670 [0,2,0,0,0,0|1,0,0]=3 12339 B17R0.3110 CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210670 [0,2,0,0,0,0|2,0,0]=4 12340 B17R0.3110 CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210670 [0,2,0,0,0,0|2,0,0]=4 12341 B17R0.3110 CCCCCCOCCOCC(=O)NCCCC 34a_100000691444_100000182744 [0,2,0,0,0,0|2,0,0]=4 12342 B17R0.3110 CCCCCCOCCOCC(=O)NCCCC 7a_100000691444_100000182744 [0,2,0,0,0,0|2,0,0]=4 12343 B17R0.3110 CCCCCCOCCOCC(=O)NCCOC 34a_100000691444_100000183275 [0,2,0,0,0,0|2,0,0]=4 12344 B17R0.3110 CCCCCCOCCOCC(=O)NCCOC 7a_100000691444_100000183275 [0,2,0,0,0,0|2,0,0]=4 12345 B17R0.3110 CCCCNC(=O)CCCCCCCCCCO 240690a_100000102301_200000016029 [0,2,0,0,0,0|1,0,0]=3 12346 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000182744 [0,2,0,0,0,0|2,0,0]=4 12347 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000182744 [0,2,0,0,0,0|2,0,0]=4 12348 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000182744 [0,2,0,0,0,0|2,0,0]=4 12349 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000182744 [0,2,0,0,0,0|2,0,0]=4 12350 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000182744 [0,2,0,0,0,0|2,0,0]=4 12351 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000182744 [0,2,0,0,0,0|2,0,0]=4 12352 B17R0.3110 CCCCNC(=O)COCCCCCCCCN 34a_102515433106_100000182744 [0,2,0,0,0,0|2,0,0]=4 12353 B17R0.3110 CCCCNC(=O)COCCCCOCCCC 34a_200000760531_100000182744 [0,2,0,0,0,0|2,0,0]=4 12354 B17R0.3110 CCCCNC(=O)COCCCCOCCCC 7a_200000760531_100000182744 [0,2,0,0,0,0|2,0,0]=4 12355 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000182744 [0,2,0,0,0,0|2,0,0]=4 12356 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000182744_100000033203 [0,2,0,0,0,0|2,0,0]=4 12357 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000102301 [0,2,0,0,0,0|2,0,0]=4 12358 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000102301_100000078944 [0,2,0,0,0,0|2,0,0]=4 12359 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000102301 [0,2,0,0,0,0|2,0,0]=4 12360 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000102301_100000078944 [0,2,0,0,0,0|2,0,0]=4 12361 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000102301 [0,2,0,0,0,0|2,0,0]=4 12362 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000102301_100000078944 [0,2,0,0,0,0|2,0,0]=4 12363 B17R0.3110 CCCCNCCCCOCC(=O)NCCCC 34a_200011216965_100000182744 [0,2,0,0,0,0|2,0,0]=4 12364 B17R0.3110 CCCCNCCCCOCC(=O)NCCOC 34a_200011216965_100000183275 [0,2,0,0,0,0|2,0,0]=4 12365 B17R0.3110 CCCCOCCCCOCC(=O)NCCOC 34a_200000760531_100000183275 [0,2,0,0,0,0|2,0,0]=4 12366 B17R0.3110 CCCCOCCCCOCC(=O)NCCOC 7a_200000760531_100000183275 [0,2,0,0,0,0|2,0,0]=4 12367 B17R0.3110 CCCNNC(=O)CCCCCCCCCCO 22a_100000740057_200000016029 [0,2,0,0,0,0|1,0,0]=3 12368 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 273464a_100000078944_100000740057 [0,2,0,0,0,0|2,0,0]=4 12369 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 512a_100000078944_100000740057 [0,2,0,0,0,0|2,0,0]=4 12370 B17R0.3110 CCCNNC(=O)NCCCCCCCCCO 512a_100000740057_100000078944 [0,2,0,0,0,0|2,0,0]=4 12371 B17R0.3110 CCCOCC(=O)CCCCCCCCCCO 1458a_100000745993_100009813290 [0,2,0,0,0,0|2,0,0]=4 12372 B17R0.3110 CCCSCC(=O)CCCCCCCCCCO 1458a_100000217233_100009813290 [0,2,0,0,0,0|2,0,0]=4 12373 B17R0.3110 CCOC=CC(=O)CCCCCCCCCCO 1458a_100016266692_100009813290 [0,2,0,0,0,0|2,0,0]=4 12374 B17R0.3110 CCOCCC(=O)CCCCCCCCCCO 1458a_100000749530_100009813290 [0,2,0,0,0,0|2,0,0]=4 12375 B17R0.3110 CCSCCC(=O)CCCCCCCCCCO 1458a_100000230768_100009813290 [0,2,0,0,0,0|2,0,0]=4 12376 B17R0.3110 COCC=CC(=O)CCCCCCCCCCO 1458a_100016285016_100009813290 [0,2,0,0,0,0|2,0,0]=4 12377 B17R0.3110 COCCCC(=O)CCCCCCCCCCO 1458a_100000741012_100009813290 [0,2,0,0,0,0|2,0,0]=4 12378 B17R0.3110 COCCNC(=O)CCCCCCCCCCO 240690a_100000209980_200000016029 [0,2,0,0,0,0|1,0,0]=3 12379 B17R0.3110 COCCNC(=O)CNCCCCCCCCO 2230a_100000754632_100000033203 [0,2,0,0,0,0|2,0,0]=4 12380 B17R0.3110 COCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183275 [0,2,0,0,0,0|2,0,0]=4 12381 B17R0.3110 COCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183275 [0,2,0,0,0,0|2,0,0]=4 12382 B17R0.3110 COCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183275 [0,2,0,0,0,0|2,0,0]=4 12383 B17R0.3110 COCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183275 [0,2,0,0,0,0|2,0,0]=4 12384 B17R0.3110 COCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183275 [0,2,0,0,0,0|2,0,0]=4 12385 B17R0.3110 COCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183275 [0,2,0,0,0,0|2,0,0]=4 12386 B17R0.3110 COCCNC(=O)COCCCCCCCCN 34a_102515433106_100000183275 [0,2,0,0,0,0|2,0,0]=4 12387 B17R0.3110 COCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183275 [0,2,0,0,0,0|2,0,0]=4 12388 B17R0.3110 COCCNC(=O)CSCCCCCCCCO 62a_100000183275_100000033203 [0,2,0,0,0,0|2,0,0]=4 12389 B17R0.3110 COCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000209980 [0,2,0,0,0,0|2,0,0]=4 12390 B17R0.3110 COCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000209980 [0,2,0,0,0,0|2,0,0]=4 12391 B17R0.3110 COCCNC(=O)NCCCCCCCCCO 273464a_100000209980_100000078944 [0,2,0,0,0,0|2,0,0]=4 12392 B17R0.3110 CSCCCC(=O)CCCCCCCCCCO 1458a_100000173376_100009813290 [0,2,0,0,0,0|2,0,0]=4 12393 B17R0.3110 CSCCNC(=O)CCCCCCCCCCO 240690a_100020590264_200000016029 [0,2,0,0,0,0|1,0,0]=3 12394 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020590264 [0,2,0,0,0,0|2,0,0]=4 12395 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 2708a_100020590264_100000078944 [0,2,0,0,0,0|2,0,0]=4 12396 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020590264 [0,2,0,0,0,0|2,0,0]=4 12397 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 273464a_100020590264_100000078944 [0,2,0,0,0,0|2,0,0]=4 12398 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 512a_100000078944_100020590264 [0,2,0,0,0,0|2,0,0]=4 12399 B17R0.3110 CSCCNC(=O)NCCCCCCCCCO 512a_100020590264_100000078944 [0,2,0,0,0,0|2,0,0]=4 12400 B17R0.3110 N#CCCCC(=O)CCCCCCCCCCO 1458a_100000075515_100009813290 [0,2,0,0,0,0|2,0,0]=4 12401 B17R0.3110 N#CCCNC(=O)CCCCCCCCCCO 240690a_100000720768_200000016029 [0,2,0,0,0,0|1,0,0]=3 12402 B17R0.3110 N#CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000720768 [0,2,0,0,0,0|2,0,0]=4 12403 B17R0.3110 N#CCCNC(=O)NCCCCCCCCCO 2708a_100000720768_100000078944 [0,2,0,0,0,0|2,0,0]=4 12404 B17R0.3110 N#CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000720768 [0,2,0,0,0,0|2,0,0]=4 12405 B17R0.3110 N#CCCNC(=O)NCCCCCCCCCO 273464a_100000720768_100000078944 [0,2,0,0,0,0|2,0,0]=4 12406 B17R0.3110 N#CCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000720768 [0,2,0,0,0,0|2,0,0]=4 12407 B17R0.3110 N#CCCNC(=O)NCCCCCCCCCO 512a_100000720768_100000078944 [0,2,0,0,0,0|2,0,0]=4 12408 B17R0.3110 O=C(CCCCCCCCCCO)COCCO 1458a_100000708028_100009813290 [0,2,0,0,0,0|2,0,0]=4 12409 B17R0.3110 O=C(CCCCCCCCCCO)NCCCF 240690a_100015189416_200000016029 [0,2,0,0,0,0|1,0,0]=3 12410 B17R0.3110 O=C(CCCCCCCCCCO)NCCCO 240690a_100000182051_200000016029 [0,2,0,0,0,0|1,0,0]=3 12411 B17R0.3110 O=C(CCCCCCCCCCO)NNCCO 22a_100000210001_200000016029 [0,2,0,0,0,0|1,0,0]=3 12412 B17R0.3110 O=C(CCCCO)CCCCCCCCCCO 1458a_100000695505_100009813290 [0,2,0,0,0,0|2,0,0]=4 12413 B17R0.3110 O=C(NCCCCCCCCCO)NNCCO 273464a_100000078944_100000210001 [0,2,0,0,0,0|2,0,0]=4 12414 B17R0.3110 O=C(NCCCCCCCCCO)NNCCO 512a_100000078944_100000210001 [0,2,0,0,0,0|2,0,0]=4 12415 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 2708a_100000078944_100015189416 [0,2,0,0,0,0|2,0,0]=4 12416 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 2708a_100015189416_100000078944 [0,2,0,0,0,0|2,0,0]=4 12417 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 273464a_100000078944_100015189416 [0,2,0,0,0,0|2,0,0]=4 12418 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 273464a_100015189416_100000078944 [0,2,0,0,0,0|2,0,0]=4 12419 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 512a_100000078944_100015189416 [0,2,0,0,0,0|2,0,0]=4 12420 B17R0.3110 O=C(NCCCF)NCCCCCCCCCO 512a_100015189416_100000078944 [0,2,0,0,0,0|2,0,0]=4 12421 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 2708a_100000078944_100000182051 [0,2,0,0,0,0|2,0,0]=4 12422 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 273464a_100000078944_100000182051 [0,2,0,0,0,0|2,0,0]=4 12423 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 273464a_100000182051_100000078944 [0,2,0,0,0,0|2,0,0]=4 12424 B17R0.3110 O=C(NCCCO)NCCCCCCCCCO 512a_100000078944_100000182051 [0,2,0,0,0,0|2,0,0]=4 12425 B17R0.3189 C=CCNC(=O)CCOC(C)CCCCCCC 7a_200011215852_100011222895 [0,2,0,0,0,0|1,0,1]=4 12426 B17R0.3189 C=CCNC(=O)CCSC(C)CCCCCCC 62a_100011222895_200011218727 [0,2,0,0,0,0|1,0,1]=4 12427 B17R0.3189 C=CCNC(=O)CCSC(C)CCCCCCC 62a_200011218727_100011222895 [0,2,0,0,0,0|1,0,1]=4 12428 B17R0.3189 CCCCCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210614 [0,2,0,0,0,0|0,0,1]=3 12429 B17R0.3189 CCCCCCCC(=O)CCCC(=O)NCCC 1458a_100000211969_100011194427 [0,2,0,0,0,0|0,0,1]=3 12430 B17R0.3189 CCCCCCCN(C)CCCC(=O)NCCC 2230a_100000228206_100011194427 [0,2,0,0,0,0|1,0,0]=3 12431 B17R0.3189 CCCCCCCN(C)CCCC(=O)NCCC 269982a_100000228206_100011194427 [0,2,0,0,0,0|1,0,0]=3 12432 B17R0.3189 CCCCCCNC(=O)CCCC(=O)NCCC 11a_100000210581_100000199544 [0,2,0,0,0,0|1,0,1]=4 12433 B17R0.3189 CCCCCCNC(=O)CCCC(=O)NCCC 1626a_100000210581_100000199544 [0,2,0,0,0,0|1,0,1]=4 12434 B17R0.3189 CCCCCCNC(=O)CCCC(=O)NCCC 240690a_100000210581_100000199544 [0,2,0,0,0,0|1,0,1]=4 12435 B17R0.3189 CCCCCCNC(=O)CCCC(=O)NCCC 527a_100000210581_100000199544 [0,2,0,0,0,0|1,0,1]=4 12436 B17R0.3189 CCCCOCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000743108 [0,2,0,0,0,0|1,0,1]=4 12437 B17R0.3189 CCCNC(=O)CCCC(=O)CCCCCCF 1458a_100000199544_100015922095 [0,2,0,0,0,0|1,0,1]=4 12438 B17R0.3189 CCCNC(=O)CCCC(=O)CCCCCCO 1458a_100000199544_100000766143 [0,2,0,0,0,0|1,0,1]=4 12439 B17R0.3189 CCCNC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011194427 [0,2,0,0,0,0|1,0,1]=4 12440 B17R0.3189 CCCNC(=O)CCCC(=O)CCCCCOC 1458a_100011935119_100011194427 [0,2,0,0,0,0|1,0,1]=4 12441 B17R0.5801 C=CCNC(=O)CCOCCCCCC(C)CC 7a_200000035636_100011222895 [0,2,0,0,0,0|1,0,1]=4 12442 B17R0.5801 CCCNC(=O)CCCCCCCCC(=O)OC 11a_100020643023_100000036616 [0,2,0,0,0,0|1,0,1]=4 12443 B17R0.5801 CCCNC(=O)CCCCCCCCC(=O)OC 1626a_100020643023_100000036616 [0,2,0,0,0,0|1,0,1]=4 12444 B17R0.5801 CCCNC(=O)CCCCCCCCC(=O)OC 240690a_100020643023_100000036616 [0,2,0,0,0,0|1,0,1]=4 12445 B17R0.5801 COC(=O)CCCCCCCCC(=O)NCCF 11a_100000724931_100000036616 [0,2,0,0,0,0|1,0,1]=4 12446 B17R0.5801 COC(=O)CCCCCCCCC(=O)NCCF 1626a_100000724931_100000036616 [0,2,0,0,0,0|1,0,1]=4 12447 B17R0.5801 COC(=O)CCCCCCCCC(=O)NCCF 240690a_100000724931_100000036616 [0,2,0,0,0,0|1,0,1]=4 12448 B17R0.5801 COC(=O)CCCCCCCCC(=O)NCCO 240690a_100000210304_100000036616 [0,2,0,0,0,0|1,0,1]=4 12449 B17R0.12416 C#CCNC(=O)C(C)NCCCCCCCCC 2230a_100000212291_100000735948 [0,2,0,0,0,0|1,0,1]=4 12450 B17R0.12416 C#CCNC(=O)C(C)NCCCCCCCCC 34a_100000212291_100000735948 [0,2,0,0,0,0|1,0,1]=4 12451 B17R0.12416 C#CCNC(=O)C(C)OCCCCCCCCC 34a_100000210712_100000735948 [0,2,0,0,0,0|1,0,1]=4 12452 B17R0.12416 C#CCNC(=O)C(C)OCCCCCCCCC 7a_100000210712_100000735948 [0,2,0,0,0,0|1,0,1]=4 12453 B17R0.12416 C#CCNC(=O)C(C)SCCCCCCCCC 62a_100000735948_100000210670 [0,2,0,0,0,0|1,0,1]=4 12454 B17R0.12416 C#CCNC(=O)N(C)CCCCCCCCCC 2708a_100000212058_100000207566 [0,2,0,0,0,0|1,0,1]=4 12455 B17R0.12416 C#CCNC(=O)N(C)CCCCCCCCCC 273464a_100000212058_100000207566 [0,2,0,0,0,0|1,0,1]=4 12456 B17R0.12416 C=CCNC(=O)C(C)NCCCCCCCCC 2230a_100000212291_100000230288 [0,2,0,0,0,0|1,0,1]=4 12457 B17R0.12416 C=CCNC(=O)C(C)OCCCCCCCCC 7a_100000210712_100000230288 [0,2,0,0,0,0|1,0,1]=4 12458 B17R0.12416 C=CCNC(=O)C(C)SCCCCCCCCC 62a_100000230288_100000210670 [0,2,0,0,0,0|1,0,1]=4 12459 B17R0.12416 C=CCNC(=O)N(C)CCCCCCCCCC 273464a_100020586998_100000207566 [0,2,0,0,0,0|1,0,1]=4 12460 B17R0.12416 CCC=CC(=O)N(C)CCCCCCCCCC 11a_100000207566_100000212282 [0,2,0,0,0,0|2,0,0]=4 12461 B17R0.12416 CCC=CC(=O)N(C)CCCCCCCCCC 1626a_100000207566_100000212282 [0,2,0,0,0,0|2,0,0]=4 12462 B17R0.12416 CCC=CC(=O)N(C)CCCCCCCCCC 240690a_100000207566_100000212282 [0,2,0,0,0,0|2,0,0]=4 12463 B17R0.12416 CCCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210319 [0,2,0,0,0,0|0,0,1]=3 12464 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCCC 11a_100000207566_100000210183 [0,2,0,0,0,0|2,0,0]=4 12465 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCCC 1626a_100000207566_100000210183 [0,2,0,0,0,0|2,0,0]=4 12466 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCCC 240690a_100000207566_100000210183 [0,2,0,0,0,0|2,0,0]=4 12467 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCCC 527a_100000207566_100000210183 [0,2,0,0,0,0|2,0,0]=4 12468 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCOC 11a_100000207566_100000749529 [0,2,0,0,0,0|2,0,0]=4 12469 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCOC 1626a_100000207566_100000749529 [0,2,0,0,0,0|2,0,0]=4 12470 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCOC 240690a_100000207566_100000749529 [0,2,0,0,0,0|2,0,0]=4 12471 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCOC 527a_100000207566_100000749529 [0,2,0,0,0,0|2,0,0]=4 12472 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCSC 11a_100000207566_100000174002 [0,2,0,0,0,0|2,0,0]=4 12473 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCSC 1626a_100000207566_100000174002 [0,2,0,0,0,0|2,0,0]=4 12474 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCSC 240690a_100000207566_100000174002 [0,2,0,0,0,0|2,0,0]=4 12475 B17R0.12416 CCCCCCCCCCN(C)C(=O)CCSC 527a_100000207566_100000174002 [0,2,0,0,0,0|2,0,0]=4 12476 B17R0.12416 CCCCCCCCCCN(C)C(=O)COCC 11a_100000207566_100000211967 [0,2,0,0,0,0|2,0,0]=4 12477 B17R0.12416 CCCCCCCCCCN(C)C(=O)COCC 1626a_100000207566_100000211967 [0,2,0,0,0,0|2,0,0]=4 12478 B17R0.12416 CCCCCCCCCCN(C)C(=O)COCC 240690a_100000207566_100000211967 [0,2,0,0,0,0|2,0,0]=4 12479 B17R0.12416 CCCCCCCCCCN(C)C(=O)COCC 527a_100000207566_100000211967 [0,2,0,0,0,0|2,0,0]=4 12480 B17R0.12416 CCCCCCCCCCN(C)C(=O)CSCC 11a_100000207566_100000230394 [0,2,0,0,0,0|2,0,0]=4 12481 B17R0.12416 CCCCCCCCCCN(C)C(=O)CSCC 1626a_100000207566_100000230394 [0,2,0,0,0,0|2,0,0]=4 12482 B17R0.12416 CCCCCCCCCCN(C)C(=O)CSCC 240690a_100000207566_100000230394 [0,2,0,0,0,0|2,0,0]=4 12483 B17R0.12416 CCCCCCCCCCN(C)C(=O)CSCC 527a_100000207566_100000230394 [0,2,0,0,0,0|2,0,0]=4 12484 B17R0.12416 CCCCCCCCCCN(C)C(=O)NCC#N 2708a_100000734998_100000207566 [0,2,0,0,0,0|1,0,1]=4 12485 B17R0.12416 CCCCCCCCCCN(C)C(=O)NCC#N 273464a_100000734998_100000207566 [0,2,0,0,0,0|1,0,1]=4 12486 B17R0.12416 CCCCCCCCCCN(C)C(=O)NCCC 2708a_100020643023_100000207566 [0,2,0,0,0,0|1,0,0]=3 12487 B17R0.12416 CCCCCCCCCCN(C)C(=O)NCCC 273464a_100020643023_100000207566 [0,2,0,0,0,0|1,0,0]=3 12488 B17R0.12416 CCCCCCCCCCN(C)C(=O)NCCF 273464a_100000724931_100000207566 [0,2,0,0,0,0|1,0,0]=3 12489 B17R0.12416 CCCCCCCCCCN(C)C(=O)NCCO 273464a_100000210304_100000207566 [0,2,0,0,0,0|1,0,0]=3 12490 B17R0.12416 CCCCCCCCCNC(=O)C(=O)NCCC 1626a_100000212291_200011297150 [0,2,0,0,0,0|1,0,1]=4 12491 B17R0.12416 CCCCCCCCCNC(=O)C(=O)NCCC 240690a_100000212291_200011297150 [0,2,0,0,0,0|1,0,1]=4 12492 B17R0.12416 CCCCCCCCCNC(=O)C(=O)NCCC 527a_100000212291_200011297150 [0,2,0,0,0,0|1,0,1]=4 12493 B17R0.12416 CCCCCCCCCNC(C)C(=O)NCCC 2230a_100000212291_100000230305 [0,2,0,0,0,0|1,0,0]=3 12494 B17R0.12416 CCCCCCCCCNC(C)C(=O)NCCC 2230a_100025744714_100011214924 [0,2,0,0,0,0|1,0,0]=3 12495 B17R0.12416 CCCCCCCCCNC(C)C(=O)NCCC 34a_100000212291_100000230305 [0,2,0,0,0,0|1,0,0]=3 12496 B17R0.12416 CCCCCCCCCNC(C)C(=O)NCCC 34a_100025744714_100011214924 [0,2,0,0,0,0|1,0,0]=3 12497 B17R0.12416 CCCCCCCCCNC(C)C(=O)OCCC 2230a_100000212291_100000760410 [0,2,0,0,0,0|2,0,0]=4 12498 B17R0.12416 CCCCCCCCCNC(C)C(=O)OCCC 34a_100000212291_100000760410 [0,2,0,0,0,0|2,0,0]=4 12499 B17R0.12416 CCCCCCCCCOC(C)C(=O)NCCC 34a_100000210712_100000230305 [0,2,0,0,0,0|1,0,0]=3 12500 B17R0.12416 CCCCCCCCCOC(C)C(=O)NCCC 7a_100000210712_100000230305 [0,2,0,0,0,0|1,0,0]=3 12501 B17R0.12416 CCCCCCCCCOC(C)C(=O)OCCC 34a_100000037348_100011214924 [0,2,0,0,0,0|2,0,0]=4 12502 B17R0.12416 CCCCCCCCCOC(C)C(=O)OCCC 34a_100000210712_100000760410 [0,2,0,0,0,0|2,0,0]=4 12503 B17R0.12416 CCCCCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210328 [0,2,0,0,0,0|2,0,0]=4 12504 B17R0.12416 CCCCCCCCCOC(C)C(=O)OCCC 7a_100000210712_100000760410 [0,2,0,0,0,0|2,0,0]=4 12505 B17R0.12416 CCCCCCCCCSC(C)C(=O)NCCC 62a_100000230305_100000210670 [0,2,0,0,0,0|1,0,0]=3 12506 B17R0.12416 CCCCCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210670 [0,2,0,0,0,0|2,0,0]=4 12507 B17R0.12416 CCCCCCOCCOC(C)C(=O)NCCC 34a_100000691444_100000230305 [0,2,0,0,0,0|2,0,0]=4 12508 B17R0.12416 CCCCCCOCCOC(C)C(=O)NCCC 7a_100000691444_100000230305 [0,2,0,0,0,0|2,0,0]=4 12509 B17R0.12416 CCCCNCCCCOC(C)C(=O)NCCC 34a_200011216965_100000230305 [0,2,0,0,0,0|2,0,0]=4 12510 B17R0.12416 CCCCOCCCCOC(C)C(=O)NCCC 34a_200000760531_100000230305 [0,2,0,0,0,0|2,0,0]=4 12511 B17R0.12416 CCCCOCCCCOC(C)C(=O)NCCC 7a_200000760531_100000230305 [0,2,0,0,0,0|2,0,0]=4 12512 B17R0.12416 CCCNC(=O)C(=O)CCCCCCCCCO 1458a_200011297150_100009813782 [0,2,0,0,0,0|1,0,1]=4 12513 B17R0.12416 CCCNC(=O)C(C)NCCCCCCCCO 2230a_100025744714_100000033203 [0,2,0,0,0,0|2,0,0]=4 12514 B17R0.12416 CCCNC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000230305 [0,2,0,0,0,0|2,0,0]=4 12515 B17R0.12416 CCCNC(=O)C(C)NCCCCCCCCO 34a_100025744714_100000033203 [0,2,0,0,0,0|2,0,0]=4 12516 B17R0.12416 CCCNC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000230305 [0,2,0,0,0,0|2,0,0]=4 12517 B17R0.12416 CCCNC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000230305 [0,2,0,0,0,0|2,0,0]=4 12518 B17R0.12416 CCCNC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000230305 [0,2,0,0,0,0|2,0,0]=4 12519 B17R0.12416 CCCNC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000230305 [0,2,0,0,0,0|2,0,0]=4 12520 B17R0.12416 CCCNC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000230305 [0,2,0,0,0,0|2,0,0]=4 12521 B17R0.12416 CCCNC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000230305 [0,2,0,0,0,0|2,0,0]=4 12522 B17R0.12416 CCCNC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000230305 [0,2,0,0,0,0|2,0,0]=4 12523 B17R0.12416 CCCNC(=O)C(C)SCCCCCCCCO 62a_100000230305_100000033203 [0,2,0,0,0,0|2,0,0]=4 12524 B17R0.1930 C#CC(CC)OCCCCCCCC(=O)OCC 34a_100000758843_100009991516 [0,2,0,0,0,0|2,0,0]=4 12525 B17R0.1930 C#CC(CC)OCCCCCCCC(=O)OCC 7a_100000758843_100009991516 [0,2,0,0,0,0|2,0,0]=4 12526 B17R0.1930 C=CC(CC)OCCCCCCCC(=O)OCC 34a_100000766422_100009991516 [0,2,0,0,0,0|2,0,0]=4 12527 B17R0.1930 C=CC(CC)OCCCCCCCC(=O)OCC 7a_100000766422_100009991516 [0,2,0,0,0,0|2,0,0]=4 12528 B17R0.1930 CCNC(=O)CCNCCCCCN(CC)CC 2230a_100011491781_100000737597 [0,2,0,0,0,0|2,0,0]=4 12529 B17R0.1930 CCNC(=O)CCOCCCCCN(CC)CC 7a_200011629222_100000737597 [0,2,0,0,0,0|2,0,0]=4 12530 B17R0.1930 CCNC(=O)COCCCCCCN(CC)CC 7a_100011632896_100000183381 [0,2,0,0,0,0|2,0,0]=4 12531 B17R0.1930 CCOC(=O)CCCCCCCCN(CC)CC 2230a_100000724800_100010175975 [0,2,0,0,0,0|2,0,0]=4 12532 B17R0.1930 CCOC(=O)CCCCCCCCN(CC)CC 269956a_100000042499_100010175975 [0,2,0,0,0,0|2,0,0]=4 12533 B17R0.1930 CCOC(=O)CCCCCCCCN(CC)CC 269982a_100000724800_100010175975 [0,2,0,0,0,0|2,0,0]=4 12534 B17R0.1930 CCOC(=O)CCCCCCCNC(CC)CC 2230a_100000199018_100009991516 [0,2,0,0,0,0|2,0,0]=4 12535 B17R0.1930 CCOC(=O)CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100009991516 [0,2,0,0,0,0|2,0,0]=4 12536 B17R0.1930 CCOC(=O)CCCCCCCOC(CC)CC 7a_100000688536_100009991516 [0,2,0,0,0,0|2,0,0]=4 12537 B17R0.1930 CCOC(=O)CCCCCCCSC(CC)CC 62a_100000210505_100009991516 [0,2,0,0,0,0|2,0,0]=4 12538 B17R0.1930 CCOC(=O)CCCCCCNCC(CC)CC 2230a_100102946423_100009814379 [0,2,0,0,0,0|2,0,0]=4 12539 B17R0.1930 CCOC(=O)CCCCCCOCC(CC)CC 7a_100000703878_100009814379 [0,2,0,0,0,0|2,0,0]=4 12540 B17R0.1930 CCOC(=O)CCCCCCOCC(CC)OC 34a_100011934954_100009814379 [0,2,0,0,0,0|2,0,0]=4 12541 B17R0.1930 CCOC(=O)CCCCCCOCC(CC)OC 7a_100011934954_100009814379 [0,2,0,0,0,0|2,0,0]=4 12542 B17R0.1930 CCOC(=O)CCCCCCSCC(CC)CC 62a_100011215472_100009814379 [0,2,0,0,0,0|2,0,0]=4 12543 B17R0.6899 CCOC(=O)CCCCCCCNC(C)(C)CC 2230a_100000211385_100009991516 [0,2,0,0,0,0|2,0,0]=4 12544 B17R0.6899 CCOC(=O)CCCCCCCOC(C)(C)CC 7a_100000210230_100009991516 [0,2,0,0,0,0|2,0,0]=4 12545 B17R0.6899 CCOC(=O)CCCCCCCSC(C)(C)CC 62a_100000032637_100009991516 [0,2,0,0,0,0|2,0,0]=4 12546 B17R0.6899 CCOC(=O)CCCCCCOCC(C)(C)CC 7a_100000765029_100009814379 [0,2,0,0,0,0|2,0,0]=4 12547 B17R0.5570 CCCCCCCCCNC(CC)C(=O)OCC 2230a_100000212291_100000212269 [0,2,0,0,0,0|2,0,0]=4 12548 B17R0.5570 CCCCCCCCCNC(CC)C(=O)OCC 34a_100000212291_100000212269 [0,2,0,0,0,0|2,0,0]=4 12549 B17R0.5570 CCCCCCCCCNC(SC)C(=O)OCC 34a_100000212291_100009893047 [0,2,0,0,0,0|2,0,0]=4 12550 B17R0.5570 CCCCCCCCCOC(CC)C(=O)OCC 34a_100000210712_100000212269 [0,2,0,0,0,0|2,0,0]=4 12551 B17R0.5570 CCCCCCCCCOC(CC)C(=O)OCC 34a_100011216719_100011214924 [0,2,0,0,0,0|2,0,0]=4 12552 B17R0.5570 CCCCCCCCCOC(CC)C(=O)OCC 7a_100000210712_100000212269 [0,2,0,0,0,0|2,0,0]=4 12553 B17R0.5570 CCCCCCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210328 [0,2,0,0,0,0|2,0,0]=4 12554 B17R0.5570 CCCCCCCCCOC(SC)C(=O)OCC 34a_100000210712_100009893047 [0,2,0,0,0,0|2,0,0]=4 12555 B17R0.5570 CCCCCCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210670 [0,2,0,0,0,0|2,0,0]=4 12556 B17R0.5570 CCCCCCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210670 [0,2,0,0,0,0|2,0,0]=4 12557 B17R0.5570 CCCCCCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210670 [0,2,0,0,0,0|2,0,0]=4 12558 B17R0.12320 CCCCCCCCCNC(C)(C)C(=O)OCC 2230a_100000212291_100011216345 [0,2,0,0,0,0|2,0,0]=4 12559 B17R0.12320 CCCCCCCCCNC(F)(F)C(=O)OCC 34a_100000212291_100000210910 [0,2,0,0,0,0|2,0,0]=4 12560 B17R0.12320 CCCCCCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100011214924 [0,2,0,0,0,0|2,0,0]=4 12561 B17R0.12320 CCCCCCCCCOC(C)(C)C(=O)OCC 7a_100000210712_100011216345 [0,2,0,0,0,0|2,0,0]=4 12562 B17R0.12320 CCCCCCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210328 [0,2,0,0,0,0|2,0,0]=4 12563 B17R0.12320 CCCCCCCCCOC(F)(F)C(=O)OCC 34a_100000210712_100000210910 [0,2,0,0,0,0|2,0,0]=4 12564 B17R0.12320 CCCCCCCCCOC(F)(F)C(=O)OCC 7a_100000210712_100000210910 [0,2,0,0,0,0|2,0,0]=4 12565 B17R0.12320 CCCCCCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210670 [0,2,0,0,0,0|2,0,0]=4 12566 B17R0.12320 CCCCCCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210670 [0,2,0,0,0,0|2,0,0]=4 12567 B17R0.12320 CCCCCCCCNCC(C)(C)C(=O)OCC 2230a_100000229939_100011219049 [0,2,0,0,0,0|2,0,0]=4 12568 B17R0.12320 CCCCCCCCNCC(F)(F)C(=O)OCC 34a_100000229939_100009817193 [0,2,0,0,0,0|2,0,0]=4 12569 B17R0.12320 CCCCCCCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210759 [0,2,0,0,0,0|2,0,0]=4 12570 B17R0.12320 CCCCCCCCOCC(F)(F)C(=O)OCC 34a_100000210232_100009817193 [0,2,0,0,0,0|2,0,0]=4 12571 B17R0.12320 CCCCCCCCSCC(C)(C)C(=O)NCC 62a_100000210759_100011895991 [0,2,0,0,0,0|1,0,0]=3 12572 B17R0.12320 CCCCCCCCSCC(C)(C)C(=O)NCC 62a_100011895991_100000210317 [0,2,0,0,0,0|1,0,0]=3 12573 B17R0.12320 CCCCCCCCSCC(C)(C)C(=O)OCC 62a_100000210759_100011219049 [0,2,0,0,0,0|2,0,0]=4 12574 B17R0.12320 CCCCCCCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210317 [0,2,0,0,0,0|2,0,0]=4 12575 B17R0.12320 CCCCCCCCSCC(F)(F)C(=O)OCC 62a_100000210759_100009817193 [0,2,0,0,0,0|2,0,0]=4 12576 B17R0.12320 CCCCCCCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210317 [0,2,0,0,0,0|2,0,0]=4 12577 B17R0.12320 CCCCCNCCCCC(C)(C)C(=O)OCC 2230a_100000209983_100010737182 [0,2,0,0,0,0|2,0,0]=4 12578 B17R0.12320 CCCCCOCCCCC(C)(C)C(=O)OCC 34a_100000210253_100010737182 [0,2,0,0,0,0|2,0,0]=4 12579 B17R0.12320 CCCCCOCCCCC(C)(C)C(=O)OCC 7a_100000210253_100010737182 [0,2,0,0,0,0|2,0,0]=4 12580 B17R0.12320 CCCCCSCCCCC(C)(C)C(=O)OCC 62a_100000210326_100010737182 [0,2,0,0,0,0|2,0,0]=4 12581 B17R0.12320 CCCCCSCCCCC(C)(C)C(=O)OCC 62a_100010737182_100000210326 [0,2,0,0,0,0|2,0,0]=4 12582 B17R0.12320 CCCCNCCCCCC(C)(C)C(=O)OCC 2230a_100000102301_100010999646 [0,2,0,0,0,0|2,0,0]=4 12583 B17R0.12320 CCCCNCCCCCC(C)(C)C(=O)OCC 7a_106832991798_100010999646 [0,2,0,0,0,0|2,0,0]=4 12584 B17R0.12320 CCCCOCCCCCC(C)(C)C(=O)OCC 34a_100000210227_100010999646 [0,2,0,0,0,0|2,0,0]=4 12585 B17R0.12320 CCCCOCCCCCC(C)(C)C(=O)OCC 7a_100000210227_100010999646 [0,2,0,0,0,0|2,0,0]=4 12586 B17R0.12320 CCCCSCCCCCC(C)(C)C(=O)OCC 62a_100000210211_100010999646 [0,2,0,0,0,0|2,0,0]=4 12587 B17R0.12320 CCCCSCCCCCC(C)(C)C(=O)OCC 62a_100010999646_100000210210 [0,2,0,0,0,0|2,0,0]=4 12588 B17R0.12320 CCNC(=O)C(C)(C)CSCCCCCCCO 62a_100000760002_100011895991 [0,2,0,0,0,0|2,0,0]=4 12589 B17R0.12320 CCNC(=O)C(C)(C)CSCCCCCCCO 62a_100011895991_100000760002 [0,2,0,0,0,0|2,0,0]=4 12590 B17R0.12320 CCNC(=O)C(C)(C)CSCCCCCCOC 62a_100011895991_100011998445 [0,2,0,0,0,0|2,0,0]=4 12591 B17R0.12320 CCNC(=O)C(C)(C)CSCCCCCCOC 62a_100011998445_100011895991 [0,2,0,0,0,0|2,0,0]=4 12592 B17R0.474 C=CC(CCCCCCC)OCCC(=O)NCC 7a_200011934235_100000737597 [0,2,0,0,0,0|1,0,0]=3 12593 B17R0.474 C=CC(CCCCCCC)OCCC(=O)OCC 34a_200011934235_100000765890 [0,2,0,0,0,0|2,0,0]=4 12594 B17R0.474 C=CC(CCCCCCC)OCCC(=O)OCC 7a_200011934235_100011206558 [0,2,0,0,0,0|2,0,0]=4 12595 B17R0.474 CCCCCCCC(CC)NCCC(=O)NCC 270004a_100025743525_200011217162 [0,2,0,0,0,0|1,0,0]=3 12596 B17R0.474 CCCCCCCC(CC)OCCC(=O)NCC 7a_200011217053_100000737597 [0,2,0,0,0,0|1,0,0]=3 12597 B17R0.474 CCCCCCCC(CC)OCCC(=O)OCC 34a_200011217053_100000765890 [0,2,0,0,0,0|2,0,0]=4 12598 B17R0.474 CCCCCCCC(CC)OCCC(=O)OCC 7a_200011217053_100011206558 [0,2,0,0,0,0|2,0,0]=4 12599 B17R0.474 CCCCCCCN(CC)CCCC(=O)OCC 2230a_100000228213_100009991533 [0,2,0,0,0,0|2,0,0]=4 12600 B17R0.474 CCCCCCCN(CC)CCCC(=O)OCC 269982a_100000228213_100009991533 [0,2,0,0,0,0|2,0,0]=4 12601 B17R0.6452 CCCCCCCC(C)(C)NCCC(=O)NCC 34a_100025743525_200000046972 [0,2,0,0,0,0|1,0,0]=3 12602 B17R0.6452 CCCCCCCC(C)(C)SCCC(=O)NCC 62a_100000737597_200000046972 [0,2,0,0,0,0|1,0,0]=3 12603 B17R0.6452 CCCCCCCC(C)(C)SCCC(=O)NCC 62a_200000046972_100000737597 [0,2,0,0,0,0|1,0,0]=3 12604 B17R0.6452 CCCCCCCC(C)(C)SCCC(=O)OCC 62a_100000765890_200000046972 [0,2,0,0,0,0|2,0,0]=4 12605 B17R0.6452 CCCCCCCC(C)(C)SCCC(=O)OCC 62a_200000046972_100000765890 [0,2,0,0,0,0|2,0,0]=4 12606 B15R1.12 C=C1CCC(CC1)COCCCCCC 34a_100000074039_100000210314 [1,0,0,1,0,0|2,0,0]=4 12607 B15R1.12 C=C1CCC(CC1)NCCCCCCC 270004a_100000229938_100010272673 [1,0,0,1,0,0|2,0,0]=4 12608 B15R1.12 C=C1CCN(CC1)CCCCCCCC 2230a_100000752442_100000210759 [1,0,0,1,0,0|2,0,0]=4 12609 B15R1.12 C=C1CCN(CC1)CCCCCCCC 269982a_100000752442_100000210759 [1,0,0,1,0,0|2,0,0]=4 12610 B15R1.12 C=C1CCN(CC1)CCCCCCCC 34a_100000752442_100000210759 [1,0,0,1,0,0|2,0,0]=4 12611 B15R1.12 CCCCCCCCN1CCS(=O)CC1 2230a_100000752083_100000210759 [1,0,0,1,0,0|2,0,0]=4 12612 B15R1.12 CCCCCCCCN1CCS(=O)CC1 269982a_100000752083_100000210759 [1,0,0,1,0,0|2,0,0]=4 12613 B15R1.12 CCCCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210681 [1,0,0,1,0,0|1,0,0]=3 12614 B15R1.12 CCCCCCCNC1CCC(=O)NC1 34a_100000748762_100000210614 [1,0,0,1,0,0|1,0,0]=3 12615 B15R1.12 CCCCCCCOC1CCC(=O)CC1 34a_100000764474_100000210614 [1,0,0,1,0,0|1,0,0]=3 12616 B15R1.12 CCCCCCCOC1CCC(=O)CC1 7a_100000764474_100000210614 [1,0,0,1,0,0|1,0,0]=3 12617 B15R1.12 CCCCCCCOC1CCC(=O)NC1 34a_100000079199_100000210614 [1,0,0,1,0,0|1,0,0]=3 12618 B15R1.12 CCCCCCCOC1CNC(=O)NC1 34a_100000080929_100000210614 [1,0,0,1,0,0|2,0,0]=4 12619 B15R1.12 CCCCCCOCC1CCC(=O)CC1 34a_100000062911_100000210314 [1,0,0,1,0,0|1,0,0]=3 12620 B15R1.12 CCCCOCCNC1CCC(=O)NC1 2230a_100000748762_100000743108 [1,0,0,1,0,0|2,0,0]=4 12621 B15R1.12 CCCCOCCNC1CCC(=O)NC1 34a_100000748762_100000743108 [1,0,0,1,0,0|2,0,0]=4 12622 B15R1.12 CCCCOCCOC1CCC(=O)CC1 34a_100000764474_100000743108 [1,0,0,1,0,0|2,0,0]=4 12623 B15R1.12 CCCCOCCOC1CCC(=O)CC1 7a_100000764474_100000743108 [1,0,0,1,0,0|2,0,0]=4 12624 B15R1.12 CCCCOCCOC1CCC(=O)NC1 34a_100000079199_100000743108 [1,0,0,1,0,0|2,0,0]=4 12625 B15R1.12 CCCCOCOCC1CCC(=O)CC1 34a_100000062911_100011995733 [1,0,0,1,0,0|2,0,0]=4 12626 B15R1.12 CCCOCCOCC1CCC(=O)CC1 34a_100000062911_100011215938 [1,0,0,1,0,0|2,0,0]=4 12627 B15R1.12 CCOCCCOCC1CCC(=O)CC1 34a_100000062911_100012232248 [1,0,0,1,0,0|2,0,0]=4 12628 B15R1.12 COCCCCOCC1CCC(=O)CC1 34a_100000062911_100000755781 [1,0,0,1,0,0|2,0,0]=4 12629 B15R1.12 O=C1CCC(CC1)COCCCCCF 34a_100000062911_100000729378 [1,0,0,1,0,0|2,0,0]=4 12630 B15R1.12 O=C1CCC(CC1)COCCCCCO 34a_100000062911_100000746330 [1,0,0,1,0,0|2,0,0]=4 12631 B15R1.12 O=C1CCC(CC1)OCCCCCCF 34a_100000764474_100015922095 [1,0,0,1,0,0|2,0,0]=4 12632 B15R1.12 O=C1CCC(CC1)OCCCCCCF 7a_100000764474_100015922095 [1,0,0,1,0,0|2,0,0]=4 12633 B15R1.12 O=C1CCC(CC1)OCCCCCCO 34a_100000764474_100000766143 [1,0,0,1,0,0|2,0,0]=4 12634 B15R1.12 O=C1CCC(CC1)OCCCCCCO 7a_100000764474_100000766143 [1,0,0,1,0,0|2,0,0]=4 12635 B15R1.12 O=C1CCC(CN1)NCCCCCCF 2230a_100000748762_100015922095 [1,0,0,1,0,0|2,0,0]=4 12636 B15R1.12 O=C1CCC(CN1)NCCCCCCF 34a_100000748762_100015922095 [1,0,0,1,0,0|2,0,0]=4 12637 B15R1.12 O=C1CCC(CN1)NCCCCCCO 2230a_100000748762_100000766143 [1,0,0,1,0,0|2,0,0]=4 12638 B15R1.12 O=C1CCC(CN1)NCCCCCCO 34a_100000748762_100000766143 [1,0,0,1,0,0|2,0,0]=4 12639 B15R1.12 O=C1CCC(CN1)OCCCCCCF 34a_100000079199_100015922095 [1,0,0,1,0,0|2,0,0]=4 12640 B15R1.12 O=C1CCC(CN1)OCCCCCCO 34a_100000079199_100000766143 [1,0,0,1,0,0|2,0,0]=4 12641 B15R1.22 CCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210681 [1,0,0,1,0,0|2,0,0]=4 12642 B15R1.22 CCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210681 [1,0,0,1,0,0|2,0,0]=4 12643 B15R1.22 CCCCCCCN1CCNC(=O)C1C 34a_100000750721_100000210614 [1,0,0,1,0,0|2,0,0]=4 12644 B15R1.22 CCCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210326 [1,0,0,1,0,0|1,0,0]=3 12645 B15R1.22 CCCCCNCC1CCCC(=O)N1C 34a_200010383782_100000718602 [1,0,0,1,0,0|1,0,0]=3 12646 B15R1.22 CCOCCNCC1CCCC(=O)N1C 2230a_200010383782_100011215890 [1,0,0,1,0,0|2,0,0]=4 12647 B15R1.22 CCOCCNCC1CCCC(=O)N1C 34a_200010383782_100000210147 [1,0,0,1,0,0|2,0,0]=4 12648 B15R1.22 CCSCCNCC1CCCC(=O)N1C 2230a_200010383782_100000757381 [1,0,0,1,0,0|2,0,0]=4 12649 B15R1.22 CCSCCNCC1CCCC(=O)N1C 34a_200010383782_100000757381 [1,0,0,1,0,0|2,0,0]=4 12650 B15R1.22 CN1C(=O)CCCC1CNCCCCF 2230a_200010383782_100000729493 [1,0,0,1,0,0|2,0,0]=4 12651 B15R1.22 CN1C(=O)CCCC1CNCCCCF 34a_200010383782_100000729493 [1,0,0,1,0,0|2,0,0]=4 12652 B15R1.22 CN1C(=O)CCCC1CNCCCCO 2230a_200010383782_100000210776 [1,0,0,1,0,0|2,0,0]=4 12653 B15R1.22 CN1C(=O)CCCC1CNCCCCO 34a_200010383782_100011216708 [1,0,0,1,0,0|2,0,0]=4 12654 B15R1.22 COCCCNCC1CCCC(=O)N1C 2230a_200010383782_100000740836 [1,0,0,1,0,0|2,0,0]=4 12655 B15R1.22 COCCCNCC1CCCC(=O)N1C 34a_200010383782_100000740836 [1,0,0,1,0,0|2,0,0]=4 12656 B15R1.34 CCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011214924 [1,0,0,1,0,0|1,0,0]=3 12657 B15R1.34 CCCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210759 [1,0,0,1,0,0|1,0,0]=3 12658 B15R1.34 CCCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210759 [1,0,0,1,0,0|1,0,0]=3 12659 B15R1.34 CCCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210759 [1,0,0,1,0,0|1,0,0]=3 12660 B15R1.34 CCCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210681 [1,0,0,1,0,0|1,0,0]=3 12661 B15R1.34 CCCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210614 [1,0,0,1,0,0|1,0,0]=3 12662 B15R1.34 CCCCCCCNCC1CNC(=O)O1 2230a_100000229938_100000181169 [1,0,0,1,0,0|2,0,0]=4 12663 B15R1.34 CCCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000229938_100015189358 [1,0,0,1,0,0|2,0,0]=4 12664 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210681 [1,0,0,1,0,0|2,0,0]=4 12665 B15R1.34 CCCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210614 [1,0,0,1,0,0|2,0,0]=4 12666 B15R1.34 CCCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210614 [1,0,0,1,0,0|2,0,0]=4 12667 B15R1.34 CCCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210614 [1,0,0,1,0,0|1,0,0]=3 12668 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100000210272_100000181169 [1,0,0,1,0,0|2,0,0]=4 12669 B15R1.34 CCCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210614 [1,0,0,1,0,0|2,0,0]=4 12670 B15R1.34 CCCCCCCOCC1CNC(=O)O1 7a_100000210272_100000181169 [1,0,0,1,0,0|2,0,0]=4 12671 B15R1.34 CCCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210272_100015189358 [1,0,0,1,0,0|2,0,0]=4 12672 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210316 [1,0,0,1,0,0|2,0,0]=4 12673 B15R1.34 CCCCCCCSCC1CNC(=O)O1 62a_100000210614_100000181169 [1,0,0,1,0,0|2,0,0]=4 12674 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210614_100015189358 [1,0,0,1,0,0|2,0,0]=4 12675 B15R1.34 CCCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210316 [1,0,0,1,0,0|2,0,0]=4 12676 B15R1.34 CCCCOCCNCC1CNC(=O)C1 2230a_100016993742_100000743108 [1,0,0,1,0,0|2,0,0]=4 12677 B15R1.34 CCCCOCCNCC1CNC(=O)C1 34a_100016993742_100000743108 [1,0,0,1,0,0|2,0,0]=4 12678 B15R1.34 CCCCOCCOCC1CNC(=O)C1 34a_100016041077_100000743108 [1,0,0,1,0,0|2,0,0]=4 12679 B15R1.34 COCCCCCCNC1CNC(=O)C1 2230a_100000697751_100011998445 [1,0,0,1,0,0|2,0,0]=4 12680 B15R1.34 COCCCCCCOC1CCC(=O)C1 34a_100012614533_100011998445 [1,0,0,1,0,0|2,0,0]=4 12681 B15R1.34 COCCCCCCOC1CNC(=O)C1 34a_100000690082_100011998445 [1,0,0,1,0,0|2,0,0]=4 12682 B15R1.34 O=C1CC(CN1)CNCCCCCCF 2230a_100016993742_100015922095 [1,0,0,1,0,0|2,0,0]=4 12683 B15R1.34 O=C1CC(CN1)CNCCCCCCF 34a_100016993742_100015922095 [1,0,0,1,0,0|2,0,0]=4 12684 B15R1.34 O=C1CC(CN1)CNCCCCCCO 2230a_100016993742_100000766143 [1,0,0,1,0,0|2,0,0]=4 12685 B15R1.34 O=C1CC(CN1)CNCCCCCCO 34a_100016993742_100000766143 [1,0,0,1,0,0|2,0,0]=4 12686 B15R1.34 O=C1CC(CN1)COCCCCCCF 34a_100016041077_100015922095 [1,0,0,1,0,0|2,0,0]=4 12687 B15R1.34 O=C1CC(CN1)COCCCCCCO 34a_100016041077_100000766143 [1,0,0,1,0,0|2,0,0]=4 12688 B15R1.34 O=C1CC(CN1)NCCCCCCCO 2230a_100000697751_100000760002 [1,0,0,1,0,0|2,0,0]=4 12689 B15R1.34 O=C1CC(CN1)OCCCCCCCO 34a_100000690082_100000760002 [1,0,0,1,0,0|2,0,0]=4 12690 B15R1.34 O=C1CCC(C1)OCCCCCCCO 34a_100012614533_100000760002 [1,0,0,1,0,0|2,0,0]=4 12691 B15R1.34 O=C1CN(CN1)CCCCCCCCO 2230a_200000708111_100000033203 [1,0,0,1,0,0|2,0,0]=4 12692 B15R1.85 CCC(=O)COCC1CCCCN1CC 7a_100000225091_100000747405 [1,0,0,1,0,0|2,0,0]=4 12693 B15R1.85 CCC(=O)NCCN1CCCCC1CC 11a_100000755458_100000210414 [1,0,0,1,0,0|2,0,0]=4 12694 B15R1.85 CCC(=O)NCCN1CCCCC1CC 1626a_100000755458_100000210414 [1,0,0,1,0,0|2,0,0]=4 12695 B15R1.85 CCC(=O)NCCN1CCCCC1CC 240690a_100000755458_100000210414 [1,0,0,1,0,0|2,0,0]=4 12696 B15R1.85 CCC(=O)NCCN1CCCCC1CC 527a_100000755458_100000210414 [1,0,0,1,0,0|2,0,0]=4 12697 B15R1.85 CCC1CCCCC1NCCC(=O)NC 269862a_100000738227_100000757040 [1,0,0,1,0,0|1,0,0]=3 12698 B15R1.85 CCC1CCCCC1NCCC(=O)NC 270004a_100000738227_100000757040 [1,0,0,1,0,0|1,0,0]=3 12699 B15R1.85 CCC1CCCCC1OCCC(=O)NC 34a_100000210738_100012179268 [1,0,0,1,0,0|1,0,0]=3 12700 B15R1.85 CCC1CCCCC1OCCC(=O)NC 7a_100000210738_100000737683 [1,0,0,1,0,0|1,0,0]=3 12701 B15R1.85 CCC1CCCCC1OCCC(=O)OC 34a_100000210738_100000742370 [1,0,0,1,0,0|2,0,0]=4 12702 B15R1.85 CCC1CCCCC1OCCC(=O)OC 7a_100000210738_100000204255 [1,0,0,1,0,0|2,0,0]=4 12703 B15R1.85 CCC1CCCCN1CCCC(=O)NC 2230a_100000210034_100000741757 [1,0,0,1,0,0|1,0,0]=3 12704 B15R1.85 CCC1CCCCN1CCCC(=O)NC 269982a_100000210034_100000741757 [1,0,0,1,0,0|1,0,0]=3 12705 B15R1.85 CCC1CCCCN1CCCC(=O)NC 34a_100000210034_100000741757 [1,0,0,1,0,0|1,0,0]=3 12706 B15R1.85 CCC1CCCCN1CCCC(=O)OC 2230a_100000210034_100011218270 [1,0,0,1,0,0|2,0,0]=4 12707 B15R1.85 CCC1CCCCN1CCCC(=O)OC 269982a_100000210034_100011218270 [1,0,0,1,0,0|2,0,0]=4 12708 B15R1.85 CCC1CCCCN1CCCC(=O)OC 34a_100000210034_100000742333 [1,0,0,1,0,0|2,0,0]=4 12709 B15R1.85 CCC1CCCCN1CCNC(=O)NC 2708a_100000755458_106832991635 [1,0,0,1,0,0|2,0,0]=4 12710 B15R1.85 CCC1CCCCN1CCNC(=O)NC 2708a_100102657272_100000755458 [1,0,0,1,0,0|2,0,0]=4 12711 B15R1.85 CCC1CCCCN1CCNC(=O)NC 273464a_100000755458_100102657272 [1,0,0,1,0,0|2,0,0]=4 12712 B15R1.85 CCC1CCCCN1CCNC(=O)NC 273464a_100102657272_100000755458 [1,0,0,1,0,0|2,0,0]=4 12713 B15R1.85 CCC1CCCCN1CCNC(=O)NC 512a_100000755458_100102657272 [1,0,0,1,0,0|2,0,0]=4 12714 B15R1.85 CCC1CCCCN1CCNC(=O)NC 512a_106832991638_100000755458 [1,0,0,1,0,0|2,0,0]=4 12715 B15R1.85 CCC1CCCCN1CCOC(=O)NC 269982a_100000210034_200011997002 [1,0,0,1,0,0|2,0,0]=4 12716 B15R1.85 CCC1CCCCN1CCOC(=O)NC 34a_100000210034_200011997002 [1,0,0,1,0,0|2,0,0]=4 12717 B15R1.85 CCN1CCCCC1CNCC(=O)NC 2230a_100000754393_100000183359 [1,0,0,1,0,0|2,0,0]=4 12718 B15R1.85 CCN1CCCCC1CNCC(=O)NC 34a_100000754393_100000183359 [1,0,0,1,0,0|2,0,0]=4 12719 B15R1.85 CCN1CCCCC1COCC(=O)NC 34a_100000225091_100000183359 [1,0,0,1,0,0|2,0,0]=4 12720 B15R1.85 CCN1CCCCC1COCC(=O)NC 7a_100000225091_100000183359 [1,0,0,1,0,0|2,0,0]=4 12721 B15R1.85 CC[C@H]1COCCN1CCCC(=O)NC 2230a_100016988097_100000741757 [1,0,0,1,0,0|2,0,0]=4 12722 B15R1.85 CC[C@H]1COCCN1CCCC(=O)NC 269982a_100016988097_100000741757 [1,0,0,1,0,0|2,0,0]=4 12723 B15R1.85 CC[C@H]1COCCN1CCCC(=O)NC 34a_100016988097_100000741757 [1,0,0,1,0,0|2,0,0]=4 12724 B15R1.85 CNC(=O)CCCN1CCCCC1CO 2230a_100000210821_100000741757 [1,0,0,1,0,0|2,0,0]=4 12725 B15R1.85 CNC(=O)CCCN1CCCCC1CO 269982a_100000210821_100000741757 [1,0,0,1,0,0|2,0,0]=4 12726 B15R1.85 CNC(=O)CCCN1CCCCC1CO 34a_100000210821_100000741757 [1,0,0,1,0,0|2,0,0]=4 12727 B15R1.85 CNC(=O)CCNC1CCCCC1CO 270004a_100000738227_100009861125 [1,0,0,1,0,0|2,0,0]=4 12728 B15R1.85 CNC(=O)CCNC1CCCCC1OC 270004a_100000738227_100000740605 [1,0,0,1,0,0|2,0,0]=4 12729 B15R1.85 CNC(=O)CCNC1CCCCC1OC 34a_100011208099_100012179268 [1,0,0,1,0,0|2,0,0]=4 12730 B15R1.85 CNC(=O)CCOC1CCCCC1CN 34a_100011216029_100012179268 [1,0,0,1,0,0|2,0,0]=4 12731 B15R1.85 CNC(=O)CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100012179268 [1,0,0,1,0,0|2,0,0]=4 12732 B15R1.85 CNC(=O)CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100012179268 [1,0,0,1,0,0|2,0,0]=4 12733 B15R1.85 CNC(=O)CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000737683 [1,0,0,1,0,0|2,0,0]=4 12734 B15R1.229 CCCCCCCCCCCN1CCC1 269982a_100000754969_100011215454 [1,0,0,1,0,0|2,0,0]=4 12735 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210314 [1,0,0,1,0,0|1,0,0]=3 12736 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210757 [1,0,0,1,0,0|1,0,0]=3 12737 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210314 [1,0,0,1,0,0|1,0,0]=3 12738 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210314 [1,0,0,1,0,0|2,0,0]=4 12739 B15R1.251 CCCCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210757 [1,0,0,1,0,0|2,0,0]=4 12740 B15R1.251 CCCCCOC1CCCC1C(=O)OC 34a_200000081814_100000718602 [1,0,0,1,0,0|2,0,0]=4 12741 B15R1.251 CCCCCOC1CCCC1C(=O)OC 7a_200000081814_100000210326 [1,0,0,1,0,0|2,0,0]=4 12742 B15R1.251 CCCCOCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100011995733 [1,0,0,1,0,0|2,0,0]=4 12743 B15R1.251 CCCCOCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100011995733 [1,0,0,1,0,0|2,0,0]=4 12744 B15R1.251 CCCCOCN1CCC[C@H]1C(=O)NC 34a_100015185040_100011995733 [1,0,0,1,0,0|2,0,0]=4 12745 B15R1.251 CCCOCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100011215938 [1,0,0,1,0,0|2,0,0]=4 12746 B15R1.251 CCCOCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100011215938 [1,0,0,1,0,0|2,0,0]=4 12747 B15R1.251 CCCOCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100011215938 [1,0,0,1,0,0|2,0,0]=4 12748 B15R1.251 CCOCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100012232248 [1,0,0,1,0,0|2,0,0]=4 12749 B15R1.251 CCOCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100012232248 [1,0,0,1,0,0|2,0,0]=4 12750 B15R1.251 CCOCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100012232248 [1,0,0,1,0,0|2,0,0]=4 12751 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCCF 2230a_100015185040_100000729378 [1,0,0,1,0,0|2,0,0]=4 12752 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCCF 269982a_100015185040_100000729378 [1,0,0,1,0,0|2,0,0]=4 12753 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCCF 34a_100015185040_100000729378 [1,0,0,1,0,0|2,0,0]=4 12754 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCCO 2230a_100015185040_100000746330 [1,0,0,1,0,0|2,0,0]=4 12755 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCCO 269982a_100015185040_100000746330 [1,0,0,1,0,0|2,0,0]=4 12756 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCCO 34a_100015185040_100000746330 [1,0,0,1,0,0|2,0,0]=4 12757 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCOC 2230a_100015185040_100000730899 [1,0,0,1,0,0|2,0,0]=4 12758 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCOC 269982a_100015185040_100000730899 [1,0,0,1,0,0|2,0,0]=4 12759 B15R1.251 CNC(=O)[C@@H]1CCCN1CCCCOC 34a_100015185040_100000755781 [1,0,0,1,0,0|2,0,0]=4 12760 B15R1.273 CCCC1CCCCC1NCC(=O)NC 269862a_100000693194_100011218038 [1,0,0,1,0,0|1,0,0]=3 12761 B15R1.273 CCCC1CCCCC1NCC(=O)NC 270004a_100000693194_100011218038 [1,0,0,1,0,0|1,0,0]=3 12762 B15R1.273 CCCC1CCCCC1OCC(=O)CC 7a_100011217265_100000747405 [1,0,0,1,0,0|1,0,0]=3 12763 B15R1.273 CCCC1CCCCC1OCC(=O)NC 34a_100011217265_100000183359 [1,0,0,1,0,0|1,0,0]=3 12764 B15R1.273 CCCC1CCCCC1OCC(=O)NC 7a_100011217265_100000183359 [1,0,0,1,0,0|1,0,0]=3 12765 B15R1.273 CCCC1CCCCC1OCC(=O)OC 34a_100011217265_100000747449 [1,0,0,1,0,0|2,0,0]=4 12766 B15R1.273 CCCC1CCCCC1OCC(=O)OC 7a_100011217265_100000747449 [1,0,0,1,0,0|2,0,0]=4 12767 B15R1.273 CCCC1CCCCN1CCC(=O)NC 2230a_100000701414_100000737683 [1,0,0,1,0,0|1,0,0]=3 12768 B15R1.273 CCCC1CCCCN1CCC(=O)NC 269982a_100000701414_100000737683 [1,0,0,1,0,0|1,0,0]=3 12769 B15R1.273 CCCC1CCCCN1CCC(=O)NC 34a_100000701414_100012179268 [1,0,0,1,0,0|1,0,0]=3 12770 B15R1.273 CCCC1CCCCN1CCC(=O)OC 2230a_100000701414_100000204255 [1,0,0,1,0,0|2,0,0]=4 12771 B15R1.273 CCCC1CCCCN1CCC(=O)OC 269982a_100000701414_100000204255 [1,0,0,1,0,0|2,0,0]=4 12772 B15R1.273 CCCC1CCCCN1CCC(=O)OC 34a_100000701414_100000742370 [1,0,0,1,0,0|2,0,0]=4 12773 B15R1.273 CCCC1COCCN1CCC(=O)NC 2230a_102495339903_100000737683 [1,0,0,1,0,0|2,0,0]=4 12774 B15R1.273 CCCC1COCCN1CCC(=O)NC 269982a_102495339903_100000737683 [1,0,0,1,0,0|2,0,0]=4 12775 B15R1.273 CCCC1COCCN1CCC(=O)NC 34a_102495339903_100012179268 [1,0,0,1,0,0|2,0,0]=4 12776 B15R1.273 CCOC1CCCCC1NCC(=O)NC 270004a_100000693194_200000031474 [1,0,0,1,0,0|2,0,0]=4 12777 B15R1.273 CNC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000737683 [1,0,0,1,0,0|2,0,0]=4 12778 B15R1.273 CNC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000737683 [1,0,0,1,0,0|2,0,0]=4 12779 B15R1.273 CNC(=O)CCN1CCCCC1CCO 34a_100000211664_100012179268 [1,0,0,1,0,0|2,0,0]=4 12780 B15R1.273 CNC(=O)CCN1CCCCC1COC 2230a_100015184032_100000737683 [1,0,0,1,0,0|2,0,0]=4 12781 B15R1.273 CNC(=O)CCN1CCCCC1COC 269982a_100015184032_100000737683 [1,0,0,1,0,0|2,0,0]=4 12782 B15R1.273 CNC(=O)CCN1CCCCC1COC 34a_100015184032_100012179268 [1,0,0,1,0,0|2,0,0]=4 12783 B15R1.605 CCCC1CCCC1NCCC(=O)NC 269862a_100000738227_100000723119 [1,0,0,1,0,0|1,0,0]=3 12784 B15R1.605 CCCC1CCCC1NCCC(=O)NC 270004a_100000738227_100000723119 [1,0,0,1,0,0|1,0,0]=3 12785 B15R1.605 CCCN1CCCC1COCC(=O)CC 7a_200000694710_100000747405 [1,0,0,1,0,0|2,0,0]=4 12786 B15R1.605 CCCN1CCCC1COCC(=O)NC 34a_200000694710_100000183359 [1,0,0,1,0,0|2,0,0]=4 12787 B15R1.605 CCCN1CCCC1COCC(=O)NC 7a_200000694710_100000183359 [1,0,0,1,0,0|2,0,0]=4 12788 B15R1.605 CNC(=O)CCCN1CCC[C@H]1COC 2230a_100020646714_100000741757 [1,0,0,1,0,0|2,0,0]=4 12789 B15R1.605 CNC(=O)CCCN1CCC[C@H]1COC 269982a_100020646714_100000741757 [1,0,0,1,0,0|2,0,0]=4 12790 B15R1.605 CNC(=O)CCCN1CCC[C@H]1COC 34a_100020646714_100000741757 [1,0,0,1,0,0|2,0,0]=4 12791 B15R1.853 CCCCC1CCCC1NCC(=O)NC 269862a_100000693194_100000750825 [1,0,0,1,0,0|1,0,0]=3 12792 B15R1.853 CCCCC1CCCC1NCC(=O)NC 270004a_100000693194_100000750825 [1,0,0,1,0,0|1,0,0]=3 12793 B15R1.962 CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210202 [1,0,0,1,0,0|1,0,0]=3 12794 B15R1.962 CCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100000210202 [1,0,0,1,0,0|2,0,0]=4 12795 B15R1.962 CCC(=O)CCCCOC1CCCCO1 1458a_100000210414_100000031530 [1,0,0,1,0,0|2,0,0]=4 12796 B15R1.962 CCC(=O)COCCCC1CCCCC1 34a_100000725409_100011713725 [1,0,0,1,0,0|1,0,0]=3 12797 B15R1.962 CCC(=O)COCCCC1CCCCC1 7a_100000198086_100000747405 [1,0,0,1,0,0|1,0,0]=3 12798 B15R1.962 CCC(=O)COCCCN1CCCCC1 34a_100000725409_100000690320 [1,0,0,1,0,0|2,0,0]=4 12799 B15R1.962 CCC(=O)COCCOC1CCCCC1 34a_100000725409_100011211530 [1,0,0,1,0,0|2,0,0]=4 12800 B15R1.962 CCC(=O)COCCOC1CCCCC1 7a_100011249652_100000747405 [1,0,0,1,0,0|2,0,0]=4 12801 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100000747405_100011713725 [1,0,0,1,0,0|1,0,0]=3 12802 B15R1.962 CCC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747405 [1,0,0,1,0,0|1,0,0]=3 12803 B15R1.962 CCC(=O)CSCCCN1CCCCC1 62a_100000747405_100000007876 [1,0,0,1,0,0|2,0,0]=4 12804 B15R1.962 CCC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747405 [1,0,0,1,0,0|2,0,0]=4 12805 B15R1.962 CCC(=O)CSCCOC1CCCCC1 62a_100000747405_100011211530 [1,0,0,1,0,0|2,0,0]=4 12806 B15R1.962 CCC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747405 [1,0,0,1,0,0|2,0,0]=4 12807 B15R1.962 CCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000210414 [1,0,0,1,0,0|2,0,0]=4 12808 B15R1.962 CCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000210414 [1,0,0,1,0,0|2,0,0]=4 12809 B15R1.962 CCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000210414 [1,0,0,1,0,0|2,0,0]=4 12810 B15R1.962 CCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000210414 [1,0,0,1,0,0|2,0,0]=4 12811 B15R1.962 CCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000210414 [1,0,0,1,0,0|2,0,0]=4 12812 B15R1.962 CCC(=O)NCCNCC1CCCCC1 269862a_100132302217_100000211278 [1,0,0,1,0,0|2,0,0]=4 12813 B15R1.962 CCC(=O)NCCNCC1CCCCC1 34a_100132302217_100000211423 [1,0,0,1,0,0|2,0,0]=4 12814 B15R1.962 CCC(=O)NCCOCC1CCCCC1 34a_200000158885_100000211423 [1,0,0,1,0,0|2,0,0]=4 12815 B15R1.962 CCC(=O)NCCOCC1CCCCC1 7a_200000158885_100000211423 [1,0,0,1,0,0|2,0,0]=4 12816 B15R1.962 CCC(=O)OCCOCC1CCCCC1 7a_200000031056_100000211423 [1,0,0,1,0,0|2,0,0]=4 12817 B15R1.962 CNC(=O)CCCCCN1CCCCC1 11a_106832991635_100012051570 [1,0,0,1,0,0|1,0,0]=3 12818 B15R1.962 CNC(=O)CCCCCN1CCCCC1 240690a_100102657272_100012051570 [1,0,0,1,0,0|1,0,0]=3 12819 B15R1.962 CNC(=O)CCCCCN1CCOCC1 11a_106832991635_100012051560 [1,0,0,1,0,0|2,0,0]=4 12820 B15R1.962 CNC(=O)CCCCCN1CCOCC1 240690a_100102657272_100012051560 [1,0,0,1,0,0|2,0,0]=4 12821 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100000741757 [1,0,0,1,0,0|1,0,0]=3 12822 B15R1.962 CNC(=O)CCCNCC1CCCCC1 2230a_100000740002_100000211423 [1,0,0,1,0,0|1,0,0]=3 12823 B15R1.962 CNC(=O)CCCNCC1CCCCC1 269862a_100000740002_100000211278 [1,0,0,1,0,0|1,0,0]=3 12824 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000210473_100000741757 [1,0,0,1,0,0|1,0,0]=3 12825 B15R1.962 CNC(=O)CCCNCC1CCCCC1 34a_100000740002_100000211423 [1,0,0,1,0,0|1,0,0]=3 12826 B15R1.962 CNC(=O)CCCNCC1CCCCO1 2230a_100000174945_100000741757 [1,0,0,1,0,0|2,0,0]=4 12827 B15R1.962 CNC(=O)CCCNCC1CCCCO1 2230a_100000740002_100000211543 [1,0,0,1,0,0|2,0,0]=4 12828 B15R1.962 CNC(=O)CCCNCC1CCCCO1 34a_100000174945_100000741757 [1,0,0,1,0,0|2,0,0]=4 12829 B15R1.962 CNC(=O)CCCNCC1CCCCO1 34a_100000740002_100000211543 [1,0,0,1,0,0|2,0,0]=4 12830 B15R1.962 CNC(=O)CCCNCC1CCCOC1 2230a_100000720124_100000741757 [1,0,0,1,0,0|2,0,0]=4 12831 B15R1.962 CNC(=O)CCCNCC1CCCOC1 2230a_100000740002_100000741521 [1,0,0,1,0,0|2,0,0]=4 12832 B15R1.962 CNC(=O)CCCNCC1CCCOC1 34a_100000720124_100000741757 [1,0,0,1,0,0|2,0,0]=4 12833 B15R1.962 CNC(=O)CCCNCC1CCCOC1 34a_100000740002_100000741521 [1,0,0,1,0,0|2,0,0]=4 12834 B15R1.962 CNC(=O)CCCNCC1CCOCC1 2230a_100000740002_100000754603 [1,0,0,1,0,0|2,0,0]=4 12835 B15R1.962 CNC(=O)CCCNCC1CCOCC1 2230a_100000746373_100000741757 [1,0,0,1,0,0|2,0,0]=4 12836 B15R1.962 CNC(=O)CCCNCC1CCOCC1 269862a_100000740002_100000749017 [1,0,0,1,0,0|2,0,0]=4 12837 B15R1.962 CNC(=O)CCCNCC1CCOCC1 34a_100000740002_100000754603 [1,0,0,1,0,0|2,0,0]=4 12838 B15R1.962 CNC(=O)CCCNCC1CCOCC1 34a_100000746373_100000741757 [1,0,0,1,0,0|2,0,0]=4 12839 B15R1.962 CNC(=O)CCCNCC1CCSCC1 2230a_100015188806_100000741757 [1,0,0,1,0,0|2,0,0]=4 12840 B15R1.962 CNC(=O)CCCNCC1CCSCC1 269862a_100000740002_100000067145 [1,0,0,1,0,0|2,0,0]=4 12841 B15R1.962 CNC(=O)CCCNCC1CCSCC1 270004a_100000740002_100000067145 [1,0,0,1,0,0|2,0,0]=4 12842 B15R1.962 CNC(=O)CCCNCC1CCSCC1 34a_100015188806_100000741757 [1,0,0,1,0,0|2,0,0]=4 12843 B15R1.962 CNC(=O)CCCOCC1CCCCC1 34a_100000212181_100000741757 [1,0,0,1,0,0|1,0,0]=3 12844 B15R1.962 CNC(=O)CCCOCC1CCCCC1 7a_100000212181_100000741757 [1,0,0,1,0,0|1,0,0]=3 12845 B15R1.962 CNC(=O)CCCOCC1CCCCN1 34a_100000210821_100000741757 [1,0,0,1,0,0|2,0,0]=4 12846 B15R1.962 CNC(=O)CCCOCC1CCCCO1 34a_100000211370_100000741757 [1,0,0,1,0,0|2,0,0]=4 12847 B15R1.962 CNC(=O)CCCOCC1CCCCO1 7a_100000211370_100000741757 [1,0,0,1,0,0|2,0,0]=4 12848 B15R1.962 CNC(=O)CCCOCC1CCCNC1 34a_100000211344_100000741757 [1,0,0,1,0,0|2,0,0]=4 12849 B15R1.962 CNC(=O)CCCOCC1CCCOC1 34a_100000741520_100000741757 [1,0,0,1,0,0|2,0,0]=4 12850 B15R1.962 CNC(=O)CCCOCC1CCNCC1 34a_100000738675_100000741757 [1,0,0,1,0,0|2,0,0]=4 12851 B15R1.962 CNC(=O)CCCOCC1CCOCC1 34a_100000749013_100000741757 [1,0,0,1,0,0|2,0,0]=4 12852 B15R1.962 CNC(=O)CCCOCC1CCSCC1 34a_100000070558_100000741757 [1,0,0,1,0,0|2,0,0]=4 12853 B15R1.962 CNC(=O)CCCOCC1CCSCC1 7a_100000070558_100000741757 [1,0,0,1,0,0|2,0,0]=4 12854 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000211423_100000741757 [1,0,0,1,0,0|1,0,0]=3 12855 B15R1.962 CNC(=O)CCCSCC1CCCCC1 62a_100000741757_100000211423 [1,0,0,1,0,0|1,0,0]=3 12856 B15R1.962 CNC(=O)CCCSCC1CCCCO1 62a_100000211543_100000741757 [1,0,0,1,0,0|2,0,0]=4 12857 B15R1.962 CNC(=O)CCCSCC1CCCCO1 62a_100000741757_100000211543 [1,0,0,1,0,0|2,0,0]=4 12858 B15R1.962 CNC(=O)CCCSCC1CCCOC1 62a_100000741521_100000741757 [1,0,0,1,0,0|2,0,0]=4 12859 B15R1.962 CNC(=O)CCCSCC1CCCOC1 62a_100000741757_100000741521 [1,0,0,1,0,0|2,0,0]=4 12860 B15R1.962 CNC(=O)CCCSCC1CCOCC1 62a_100000741757_100000749018 [1,0,0,1,0,0|2,0,0]=4 12861 B15R1.962 CNC(=O)CCCSCC1CCOCC1 62a_100000754603_100000741757 [1,0,0,1,0,0|2,0,0]=4 12862 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737683 [1,0,0,1,0,0|1,0,0]=3 12863 B15R1.962 CNC(=O)CCNCCC1CCCCC1 2230a_100000738227_100012355289 [1,0,0,1,0,0|1,0,0]=3 12864 B15R1.962 CNC(=O)CCNCCC1CCCCC1 270004a_100000738227_100011713444 [1,0,0,1,0,0|1,0,0]=3 12865 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738074_100012179268 [1,0,0,1,0,0|1,0,0]=3 12866 B15R1.962 CNC(=O)CCNCCC1CCCCC1 34a_100000738227_100011209188 [1,0,0,1,0,0|1,0,0]=3 12867 B15R1.962 CNC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000737683 [1,0,0,1,0,0|2,0,0]=4 12868 B15R1.962 CNC(=O)CCNCCC1CCCCO1 34a_100015183643_100012179268 [1,0,0,1,0,0|2,0,0]=4 12869 B15R1.962 CNC(=O)CCNCCC1CCOCC1 2230a_100000738227_100011934994 [1,0,0,1,0,0|2,0,0]=4 12870 B15R1.962 CNC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000737683 [1,0,0,1,0,0|2,0,0]=4 12871 B15R1.962 CNC(=O)CCNCCC1CCOCC1 34a_100000738227_100011934994 [1,0,0,1,0,0|2,0,0]=4 12872 B15R1.962 CNC(=O)CCNCCC1CCOCC1 34a_100000755988_100012179268 [1,0,0,1,0,0|2,0,0]=4 12873 B15R1.962 CNC(=O)CCNCCN1CCCCC1 2230a_100000738227_100000739454 [1,0,0,1,0,0|2,0,0]=4 12874 B15R1.962 CNC(=O)CCNCCN1CCCCC1 34a_100000738227_100000739454 [1,0,0,1,0,0|2,0,0]=4 12875 B15R1.962 CNC(=O)CCNCOC1CCCCC1 2230a_100000738227_100011935260 [1,0,0,1,0,0|2,0,0]=4 12876 B15R1.962 CNC(=O)CCNCOC1CCCCC1 34a_100000738227_100011935260 [1,0,0,1,0,0|2,0,0]=4 12877 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100000754576_100011209188 [1,0,0,1,0,0|1,0,0]=3 12878 B15R1.962 CNC(=O)CCOCCC1CCCCC1 34a_100011217863_100012179268 [1,0,0,1,0,0|1,0,0]=3 12879 B15R1.962 CNC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737683 [1,0,0,1,0,0|1,0,0]=3 12880 B15R1.962 CNC(=O)CCOCCC1CCCCN1 34a_100000211664_100012179268 [1,0,0,1,0,0|2,0,0]=4 12881 B15R1.962 CNC(=O)CCOCCC1CCCNC1 34a_100000752241_100012179268 [1,0,0,1,0,0|2,0,0]=4 12882 B15R1.962 CNC(=O)CCOCCC1CCNCC1 34a_100015190746_100012179268 [1,0,0,1,0,0|2,0,0]=4 12883 B15R1.962 CNC(=O)CCOCCC1CCOCC1 34a_100000754576_100011934994 [1,0,0,1,0,0|2,0,0]=4 12884 B15R1.962 CNC(=O)CCOCCC1CCOCC1 34a_100011933979_100012179268 [1,0,0,1,0,0|2,0,0]=4 12885 B15R1.962 CNC(=O)CCOCCC1CCOCC1 7a_100011933979_100000737683 [1,0,0,1,0,0|2,0,0]=4 12886 B15R1.962 CNC(=O)CCOCCN1CCCCC1 34a_100000754576_100000739454 [1,0,0,1,0,0|2,0,0]=4 12887 B15R1.962 CNC(=O)CCOCOC1CCCCC1 34a_100000754576_100011935260 [1,0,0,1,0,0|2,0,0]=4 12888 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100000737683_100012355289 [1,0,0,1,0,0|1,0,0]=3 12889 B15R1.962 CNC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737683 [1,0,0,1,0,0|1,0,0]=3 12890 B15R1.962 CNC(=O)CCSCCC1CCOCC1 62a_100000737683_100011934994 [1,0,0,1,0,0|2,0,0]=4 12891 B15R1.962 CNC(=O)CCSCCC1CCOCC1 62a_100011934994_100000737683 [1,0,0,1,0,0|2,0,0]=4 12892 B15R1.962 CNC(=O)CCSCCN1CCCCC1 62a_100000737683_100000739454 [1,0,0,1,0,0|2,0,0]=4 12893 B15R1.962 CNC(=O)CCSCCN1CCCCC1 62a_100000739454_100000737683 [1,0,0,1,0,0|2,0,0]=4 12894 B15R1.962 CNC(=O)CCSCOC1CCCCC1 62a_100000737683_100011935260 [1,0,0,1,0,0|2,0,0]=4 12895 B15R1.962 CNC(=O)CCSCOC1CCCCC1 62a_100011935260_100000737683 [1,0,0,1,0,0|2,0,0]=4 12896 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100000693194_100011713725 [1,0,0,1,0,0|1,0,0]=3 12897 B15R1.962 CNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183359 [1,0,0,1,0,0|1,0,0]=3 12898 B15R1.962 CNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183359 [1,0,0,1,0,0|1,0,0]=3 12899 B15R1.962 CNC(=O)CNCCCN1CCCCC1 2230a_100000693194_100000690320 [1,0,0,1,0,0|2,0,0]=4 12900 B15R1.962 CNC(=O)CNCCOC1CCCCC1 2230a_100000693194_100011211530 [1,0,0,1,0,0|2,0,0]=4 12901 B15R1.962 CNC(=O)CNCCOC1CCCCC1 34a_100015206981_100000183359 [1,0,0,1,0,0|2,0,0]=4 12902 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183359 [1,0,0,1,0,0|1,0,0]=3 12903 B15R1.962 CNC(=O)COCCCC1CCCCC1 34a_100000750040_100011713725 [1,0,0,1,0,0|1,0,0]=3 12904 B15R1.962 CNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183359 [1,0,0,1,0,0|1,0,0]=3 12905 B15R1.962 CNC(=O)COCCCC1CCCCN1 34a_100011934581_100000183359 [1,0,0,1,0,0|2,0,0]=4 12906 B15R1.962 CNC(=O)COCCCC1CCCNC1 34a_100150707839_100000183359 [1,0,0,1,0,0|2,0,0]=4 12907 B15R1.962 CNC(=O)COCCCC1CCNCC1 34a_100016988962_100000183359 [1,0,0,1,0,0|2,0,0]=4 12908 B15R1.962 CNC(=O)COCCCN1CCCCC1 34a_100000212458_100000183359 [1,0,0,1,0,0|2,0,0]=4 12909 B15R1.962 CNC(=O)COCCCN1CCCCC1 34a_100000750040_100000690320 [1,0,0,1,0,0|2,0,0]=4 12910 B15R1.962 CNC(=O)COCCNC1CCCCC1 34a_100000200466_100000183359 [1,0,0,1,0,0|2,0,0]=4 12911 B15R1.962 CNC(=O)COCCOC1CCCCC1 34a_100000750040_100011211530 [1,0,0,1,0,0|2,0,0]=4 12912 B15R1.962 CNC(=O)COCCOC1CCCCC1 34a_100011249652_100000183359 [1,0,0,1,0,0|2,0,0]=4 12913 B15R1.962 CNC(=O)COCCOC1CCCCC1 7a_100011249652_100000183359 [1,0,0,1,0,0|2,0,0]=4 12914 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100000183359_100011713725 [1,0,0,1,0,0|1,0,0]=3 12915 B15R1.962 CNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183359 [1,0,0,1,0,0|1,0,0]=3 12916 B15R1.962 CNC(=O)CSCCCN1CCCCC1 62a_100000183359_100000007876 [1,0,0,1,0,0|2,0,0]=4 12917 B15R1.962 CNC(=O)CSCCCN1CCCCC1 62a_100132302099_100000183359 [1,0,0,1,0,0|2,0,0]=4 12918 B15R1.962 CNC(=O)CSCCOC1CCCCC1 62a_100000183359_100011211530 [1,0,0,1,0,0|2,0,0]=4 12919 B15R1.962 CNC(=O)CSCCOC1CCCCC1 62a_100011211530_100000183359 [1,0,0,1,0,0|2,0,0]=4 12920 B15R1.962 CNC(=O)NCCCCN1CCCCC1 2708a_100102657272_200011207366 [1,0,0,1,0,0|2,0,0]=4 12921 B15R1.962 CNC(=O)NCCCCN1CCCCC1 2708a_200011207366_106832991635 [1,0,0,1,0,0|2,0,0]=4 12922 B15R1.962 CNC(=O)NCCCCN1CCCCC1 273464a_100102657272_200011207366 [1,0,0,1,0,0|2,0,0]=4 12923 B15R1.962 CNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100102657272 [1,0,0,1,0,0|2,0,0]=4 12924 B15R1.962 CNC(=O)NCCCCN1CCCCC1 512a_106832991638_200011207366 [1,0,0,1,0,0|2,0,0]=4 12925 B15R1.962 CNC(=O)NCCCOC1CCCCC1 2708a_100000205933_106832991635 [1,0,0,1,0,0|2,0,0]=4 12926 B15R1.962 CNC(=O)NCCCOC1CCCCC1 2708a_100102657272_100000205933 [1,0,0,1,0,0|2,0,0]=4 12927 B15R1.962 CNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100102657272 [1,0,0,1,0,0|2,0,0]=4 12928 B15R1.962 CNC(=O)NCCCOC1CCCCC1 273464a_100102657272_100000205933 [1,0,0,1,0,0|2,0,0]=4 12929 B15R1.962 CNC(=O)NCCCOC1CCCCC1 512a_100000205933_100102657272 [1,0,0,1,0,0|2,0,0]=4 12930 B15R1.962 CNC(=O)NCCCOC1CCCCC1 512a_106832991638_100000205933 [1,0,0,1,0,0|2,0,0]=4 12931 B15R1.962 CNC(=O)NCCNCC1CCCCC1 269862a_100015205895_100000211278 [1,0,0,1,0,0|2,0,0]=4 12932 B15R1.962 CNC(=O)NCCNCC1CCCCC1 34a_100015205895_100000211423 [1,0,0,1,0,0|2,0,0]=4 12933 B15R1.962 CNC(=O)OCCNCC1CCCCC1 34a_100000210473_200011997002 [1,0,0,1,0,0|2,0,0]=4 12934 B15R1.962 CNC(=O)OCCOCC1CCCCC1 34a_100000212181_200011997002 [1,0,0,1,0,0|2,0,0]=4 12935 B15R1.962 CNC(=O)OCCOCC1CCCCC1 7a_100000212181_200011997002 [1,0,0,1,0,0|2,0,0]=4 12936 B15R1.962 CNC(=O)OCCSCC1CCCCC1 62a_100000211423_200011997002 [1,0,0,1,0,0|2,0,0]=4 12937 B15R1.962 CNC(=O)OCCSCC1CCCCC1 62a_200011997002_100000211423 [1,0,0,1,0,0|2,0,0]=4 12938 B15R1.962 COC(=O)CCCCNC1CCCCC1 2230a_100000182618_100000204269 [1,0,0,1,0,0|2,0,0]=4 12939 B15R1.962 COC(=O)CCCCNC1CCCCC1 34a_100000182618_100000204269 [1,0,0,1,0,0|2,0,0]=4 12940 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000059025_100000210327 [1,0,0,1,0,0|2,0,0]=4 12941 B15R1.962 COC(=O)CCCCOC1CCCCC1 34a_100000210231_100000204269 [1,0,0,1,0,0|2,0,0]=4 12942 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000059025_100000210327 [1,0,0,1,0,0|2,0,0]=4 12943 B15R1.962 COC(=O)CCCCOC1CCCCC1 7a_100000210231_100000204269 [1,0,0,1,0,0|2,0,0]=4 12944 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000204269_100000210327 [1,0,0,1,0,0|2,0,0]=4 12945 B15R1.962 COC(=O)CCCCSC1CCCCC1 62a_100000210327_100000204269 [1,0,0,1,0,0|2,0,0]=4 12946 B15R1.962 COC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011218270 [1,0,0,1,0,0|2,0,0]=4 12947 B15R1.962 COC(=O)CCCNCC1CCCCC1 34a_100000210473_100000742333 [1,0,0,1,0,0|2,0,0]=4 12948 B15R1.962 COC(=O)CCCOCC1CCCCC1 34a_100000212181_100000742333 [1,0,0,1,0,0|2,0,0]=4 12949 B15R1.962 COC(=O)CCCOCC1CCCCC1 7a_100000212181_100011218270 [1,0,0,1,0,0|2,0,0]=4 12950 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100000211423_100011218270 [1,0,0,1,0,0|2,0,0]=4 12951 B15R1.962 COC(=O)CCCSCC1CCCCC1 62a_100011218270_100000211423 [1,0,0,1,0,0|2,0,0]=4 12952 B15R1.962 COC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000204255 [1,0,0,1,0,0|2,0,0]=4 12953 B15R1.962 COC(=O)CCNCCC1CCCCC1 34a_100000738074_100000742370 [1,0,0,1,0,0|2,0,0]=4 12954 B15R1.962 COC(=O)CCOCCC1CCCCC1 34a_100011217863_100000742370 [1,0,0,1,0,0|2,0,0]=4 12955 B15R1.962 COC(=O)CCOCCC1CCCCC1 7a_100011217863_100000204255 [1,0,0,1,0,0|2,0,0]=4 12956 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100000204255_100012355289 [1,0,0,1,0,0|2,0,0]=4 12957 B15R1.962 COC(=O)CCSCCC1CCCCC1 62a_100012355289_100000204255 [1,0,0,1,0,0|2,0,0]=4 12958 B15R1.962 COC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747449 [1,0,0,1,0,0|2,0,0]=4 12959 B15R1.962 COC(=O)CNCCCC1CCCCC1 34a_100011211642_100000747449 [1,0,0,1,0,0|2,0,0]=4 12960 B15R1.962 COC(=O)COCCCC1CCCCC1 34a_100000198086_100000747449 [1,0,0,1,0,0|2,0,0]=4 12961 B15R1.962 COC(=O)COCCCC1CCCCC1 7a_100000198086_100000747449 [1,0,0,1,0,0|2,0,0]=4 12962 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100000747449_100011713725 [1,0,0,1,0,0|2,0,0]=4 12963 B15R1.962 COC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747449 [1,0,0,1,0,0|2,0,0]=4 12964 B15R1.962 NNC(=O)CCCOCC1CCCCC1 34a_100000211488_100000211423 [1,0,0,1,0,0|2,0,0]=4 12965 B15R1.962 O=C(CF)CCCCCN1CCCCC1 1458a_100012051570_100015361967 [1,0,0,1,0,0|2,0,0]=4 12966 B15R1.975 CCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000210414 [1,0,0,1,0,0|2,0,0]=4 12967 B15R1.975 CCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000210414 [1,0,0,1,0,0|2,0,0]=4 12968 B15R1.975 CCC(=O)NCCNCCC1CCCC1 34a_100132302217_100000760354 [1,0,0,1,0,0|2,0,0]=4 12969 B15R1.975 CCC(=O)NCCOCCC1CCCC1 34a_200000158885_100000760354 [1,0,0,1,0,0|2,0,0]=4 12970 B15R1.975 CCC(=O)NCCOCCC1CCCC1 7a_200000158885_100000760354 [1,0,0,1,0,0|2,0,0]=4 12971 B15R1.975 CCC(=O)OCCOCCC1CCCC1 7a_200000031056_100000760354 [1,0,0,1,0,0|2,0,0]=4 12972 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100000741757 [1,0,0,1,0,0|1,0,0]=3 12973 B15R1.975 CNC(=O)CCCNCCC1CCCC1 2230a_100000740002_100000760354 [1,0,0,1,0,0|1,0,0]=3 12974 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000739158_100000741757 [1,0,0,1,0,0|1,0,0]=3 12975 B15R1.975 CNC(=O)CCCNCCC1CCCC1 34a_100000740002_100000760354 [1,0,0,1,0,0|1,0,0]=3 12976 B15R1.975 CNC(=O)CCCOCCC1CCCC1 34a_100000749090_100000741757 [1,0,0,1,0,0|1,0,0]=3 12977 B15R1.975 CNC(=O)CCCOCCC1CCCC1 7a_100000749090_100000741757 [1,0,0,1,0,0|1,0,0]=3 12978 B15R1.975 CNC(=O)CCCOCCC1CCNC1 34a_100016987287_100000741757 [1,0,0,1,0,0|2,0,0]=4 12979 B15R1.975 CNC(=O)CCCOCCC1CCOC1 34a_100011879284_100000741757 [1,0,0,1,0,0|2,0,0]=4 12980 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000741757_100000760354 [1,0,0,1,0,0|1,0,0]=3 12981 B15R1.975 CNC(=O)CCCSCCC1CCCC1 62a_100000760354_100000741757 [1,0,0,1,0,0|1,0,0]=3 12982 B15R1.975 CNC(=O)CCCSCCN1CCCC1 62a_100000700749_100000741757 [1,0,0,1,0,0|2,0,0]=4 12983 B15R1.975 CNC(=O)CCCSCCN1CCCC1 62a_100000741757_100000004467 [1,0,0,1,0,0|2,0,0]=4 12984 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737683 [1,0,0,1,0,0|1,0,0]=3 12985 B15R1.975 CNC(=O)CCNCCCC1CCCC1 2230a_100000738227_100011713738 [1,0,0,1,0,0|1,0,0]=3 12986 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000736752_100012179268 [1,0,0,1,0,0|1,0,0]=3 12987 B15R1.975 CNC(=O)CCNCCCC1CCCC1 34a_100000738227_100011713738 [1,0,0,1,0,0|1,0,0]=3 12988 B15R1.975 CNC(=O)CCNCCCN1CCCC1 2230a_100000738227_100011445909 [1,0,0,1,0,0|2,0,0]=4 12989 B15R1.975 CNC(=O)CCNCCCN1CCCC1 34a_100000738227_100016991639 [1,0,0,1,0,0|2,0,0]=4 12990 B15R1.975 CNC(=O)CCNCCOC1CCCC1 34a_100000741755_100012179268 [1,0,0,1,0,0|2,0,0]=4 12991 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100000754576_100011713738 [1,0,0,1,0,0|1,0,0]=3 12992 B15R1.975 CNC(=O)CCOCCCC1CCCC1 34a_100011215328_100012179268 [1,0,0,1,0,0|1,0,0]=3 12993 B15R1.975 CNC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737683 [1,0,0,1,0,0|1,0,0]=3 12994 B15R1.975 CNC(=O)CCOCCCN1CCCC1 34a_100000754576_100016991639 [1,0,0,1,0,0|2,0,0]=4 12995 B15R1.975 CNC(=O)CCOCCNC1CCCC1 34a_200000200444_100012179268 [1,0,0,1,0,0|2,0,0]=4 12996 B15R1.975 CNC(=O)CCOCCOC1CCCC1 34a_100000738311_100012179268 [1,0,0,1,0,0|2,0,0]=4 12997 B15R1.975 CNC(=O)CCOCCOC1CCCC1 7a_100000738311_100000737683 [1,0,0,1,0,0|2,0,0]=4 12998 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100000737683_100011713738 [1,0,0,1,0,0|1,0,0]=3 12999 B15R1.975 CNC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737683 [1,0,0,1,0,0|1,0,0]=3 13000 B15R1.975 CNC(=O)CCSCCCN1CCCC1 62a_100000737683_100011445909 [1,0,0,1,0,0|2,0,0]=4 13001 B15R1.975 CNC(=O)CCSCCCN1CCCC1 62a_100016991639_100000737683 [1,0,0,1,0,0|2,0,0]=4 13002 B15R1.975 CNC(=O)CNCCCOC1CCCC1 34a_100000747560_100000183359 [1,0,0,1,0,0|2,0,0]=4 13003 B15R1.975 CNC(=O)NCCCCCN1CCCC1 2708a_100011491779_106832991635 [1,0,0,1,0,0|2,0,0]=4 13004 B15R1.975 CNC(=O)NCCCCCN1CCCC1 2708a_100102657272_100011491779 [1,0,0,1,0,0|2,0,0]=4 13005 B15R1.975 CNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100102657272 [1,0,0,1,0,0|2,0,0]=4 13006 B15R1.975 CNC(=O)NCCCCCN1CCCC1 273464a_100102657272_100011491779 [1,0,0,1,0,0|2,0,0]=4 13007 B15R1.975 CNC(=O)NCCCCCN1CCCC1 512a_106832991638_100011491779 [1,0,0,1,0,0|2,0,0]=4 13008 B15R1.975 CNC(=O)NCCNCCC1CCCC1 34a_100015205895_100000760354 [1,0,0,1,0,0|2,0,0]=4 13009 B15R1.975 CNC(=O)OCCNCCC1CCCC1 34a_100000739158_200011997002 [1,0,0,1,0,0|2,0,0]=4 13010 B15R1.975 CNC(=O)OCCOCCC1CCCC1 34a_100000749090_200011997002 [1,0,0,1,0,0|2,0,0]=4 13011 B15R1.975 CNC(=O)OCCOCCC1CCCC1 7a_100000749090_200011997002 [1,0,0,1,0,0|2,0,0]=4 13012 B15R1.975 CNC(=O)OCCSCCC1CCCC1 62a_100000760354_200011997002 [1,0,0,1,0,0|2,0,0]=4 13013 B15R1.975 CNC(=O)OCCSCCC1CCCC1 62a_200011997002_100000760354 [1,0,0,1,0,0|2,0,0]=4 13014 B15R1.975 COC(=O)CCCCCCN1CCCC1 2230a_100000188435_100009815986 [1,0,0,1,0,0|2,0,0]=4 13015 B15R1.975 COC(=O)CCCCCCN1CCCC1 269982a_100000188435_100009815986 [1,0,0,1,0,0|2,0,0]=4 13016 B15R1.975 COC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009816466 [1,0,0,1,0,0|2,0,0]=4 13017 B15R1.975 COC(=O)CCCCCNC1CCCC1 34a_100000211070_100009816466 [1,0,0,1,0,0|2,0,0]=4 13018 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000074720_100000179811 [1,0,0,1,0,0|2,0,0]=4 13019 B15R1.975 COC(=O)CCCCCOC1CCCC1 34a_100000210269_100009816466 [1,0,0,1,0,0|2,0,0]=4 13020 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000074720_100000179811 [1,0,0,1,0,0|2,0,0]=4 13021 B15R1.975 COC(=O)CCCCCOC1CCCC1 7a_100000210269_100009816466 [1,0,0,1,0,0|2,0,0]=4 13022 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100009816466_100000179811 [1,0,0,1,0,0|2,0,0]=4 13023 B15R1.975 COC(=O)CCCCCSC1CCCC1 62a_100011217020_100009816466 [1,0,0,1,0,0|2,0,0]=4 13024 B15R1.975 COC(=O)CCCCNCC1CCCC1 2230a_100000737975_100000204269 [1,0,0,1,0,0|2,0,0]=4 13025 B15R1.975 COC(=O)CCCCNCC1CCCC1 34a_100000737975_100000204269 [1,0,0,1,0,0|2,0,0]=4 13026 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000059025_100000740388 [1,0,0,1,0,0|2,0,0]=4 13027 B15R1.975 COC(=O)CCCCOCC1CCCC1 34a_100000742336_100000204269 [1,0,0,1,0,0|2,0,0]=4 13028 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000059025_100000740388 [1,0,0,1,0,0|2,0,0]=4 13029 B15R1.975 COC(=O)CCCCOCC1CCCC1 7a_100000742336_100000204269 [1,0,0,1,0,0|2,0,0]=4 13030 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000204269_100000740388 [1,0,0,1,0,0|2,0,0]=4 13031 B15R1.975 COC(=O)CCCCSCC1CCCC1 62a_100000740388_100000204269 [1,0,0,1,0,0|2,0,0]=4 13032 B15R1.975 COC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011218270 [1,0,0,1,0,0|2,0,0]=4 13033 B15R1.975 COC(=O)CCCNCCC1CCCC1 34a_100000739158_100000742333 [1,0,0,1,0,0|2,0,0]=4 13034 B15R1.975 COC(=O)CCCOCCC1CCCC1 34a_100000749090_100000742333 [1,0,0,1,0,0|2,0,0]=4 13035 B15R1.975 COC(=O)CCCOCCC1CCCC1 7a_100000749090_100011218270 [1,0,0,1,0,0|2,0,0]=4 13036 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100000760354_100011218270 [1,0,0,1,0,0|2,0,0]=4 13037 B15R1.975 COC(=O)CCCSCCC1CCCC1 62a_100011218270_100000760354 [1,0,0,1,0,0|2,0,0]=4 13038 B15R1.975 COC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000204255 [1,0,0,1,0,0|2,0,0]=4 13039 B15R1.975 COC(=O)CCNCCCC1CCCC1 34a_100000736752_100000742370 [1,0,0,1,0,0|2,0,0]=4 13040 B15R1.975 COC(=O)CCOCCCC1CCCC1 34a_100011215328_100000742370 [1,0,0,1,0,0|2,0,0]=4 13041 B15R1.975 COC(=O)CCOCCCC1CCCC1 7a_100011215328_100000204255 [1,0,0,1,0,0|2,0,0]=4 13042 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100000204255_100011713738 [1,0,0,1,0,0|2,0,0]=4 13043 B15R1.975 COC(=O)CCSCCCC1CCCC1 62a_100011713738_100000204255 [1,0,0,1,0,0|2,0,0]=4 13044 B15R1.975 NNC(=O)CCCOCCC1CCCC1 34a_100000211488_100000760354 [1,0,0,1,0,0|2,0,0]=4 13045 B15R1.1052 CCC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000747405 [1,0,0,1,0,0|2,0,0]=4 13046 B15R1.1052 CCC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000747405 [1,0,0,1,0,0|2,0,0]=4 13047 B15R1.1052 CNC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000183359 [1,0,0,1,0,0|2,0,0]=4 13048 B15R1.1052 CNC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000183359 [1,0,0,1,0,0|2,0,0]=4 13049 B15R1.1052 CNC(=O)CN1CCCCC1CCCO 34a_100011934581_100000183359 [1,0,0,1,0,0|2,0,0]=4 13050 B15R1.1052 CNC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000183359 [1,0,0,1,0,0|2,0,0]=4 13051 B15R1.1052 CNC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000183359 [1,0,0,1,0,0|2,0,0]=4 13052 B15R1.1052 CNC(=O)CN1CCCCC1CCOC 34a_100015186528_100000183359 [1,0,0,1,0,0|2,0,0]=4 13053 B15R1.1091 CCC(=O)COCCC1CCCCN1C 34a_100000725409_100000211948 [1,0,0,1,0,0|2,0,0]=4 13054 B15R1.1091 CCC(=O)CSCCC1CCCCN1C 62a_100000211948_100000747405 [1,0,0,1,0,0|2,0,0]=4 13055 B15R1.1091 CCC(=O)CSCCC1CCCCN1C 62a_100000747405_100000211948 [1,0,0,1,0,0|2,0,0]=4 13056 B15R1.1091 CCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000210414 [1,0,0,1,0,0|2,0,0]=4 13057 B15R1.1091 CCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000210414 [1,0,0,1,0,0|2,0,0]=4 13058 B15R1.1091 CCC(=O)NCCNC1CCCCC1C 269862a_100132302217_100000210921 [1,0,0,1,0,0|2,0,0]=4 13059 B15R1.1091 CCC(=O)NCCNC1CCCCC1C 270004a_100132302217_100000210921 [1,0,0,1,0,0|2,0,0]=4 13060 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100000741757 [1,0,0,1,0,0|1,0,0]=3 13061 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 269862a_100000740002_100000210921 [1,0,0,1,0,0|1,0,0]=3 13062 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 270004a_100000740002_100000210921 [1,0,0,1,0,0|1,0,0]=3 13063 B15R1.1091 CNC(=O)CCCNC1CCCCC1C 34a_100000211402_100000741757 [1,0,0,1,0,0|1,0,0]=3 13064 B15R1.1091 CNC(=O)CCCNC1CCCCC1F 34a_100000740002_100015423560 [1,0,0,1,0,0|2,0,0]=4 13065 B15R1.1091 CNC(=O)CCCNC1CCCCC1O 34a_100000740002_100000038908 [1,0,0,1,0,0|2,0,0]=4 13066 B15R1.1091 CNC(=O)CCCNC1CCNCC1C 270004a_100000740002_100000703950 [1,0,0,1,0,0|2,0,0]=4 13067 B15R1.1091 CNC(=O)CCCNC1CCOCC1C 270004a_100000740002_100000755695 [1,0,0,1,0,0|2,0,0]=4 13068 B15R1.1091 CNC(=O)CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000741757 [1,0,0,1,0,0|2,0,0]=4 13069 B15R1.1091 CNC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000741757 [1,0,0,1,0,0|2,0,0]=4 13070 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 34a_100000211207_100000741757 [1,0,0,1,0,0|1,0,0]=3 13071 B15R1.1091 CNC(=O)CCCOC1CCCCC1C 7a_100000211207_100000741757 [1,0,0,1,0,0|1,0,0]=3 13072 B15R1.1091 CNC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000741757 [1,0,0,1,0,0|2,0,0]=4 13073 B15R1.1091 CNC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100000741757 [1,0,0,1,0,0|2,0,0]=4 13074 B15R1.1091 CNC(=O)CCCOC1CCNCC1C 34a_100011998114_100000741757 [1,0,0,1,0,0|2,0,0]=4 13075 B15R1.1091 CNC(=O)CCCOC1CNCCC1C 34a_100000696640_100000741757 [1,0,0,1,0,0|2,0,0]=4 13076 B15R1.1091 CNC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000741757 [1,0,0,1,0,0|2,0,0]=4 13077 B15R1.1091 CNC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000741757 [1,0,0,1,0,0|2,0,0]=4 13078 B15R1.1091 CNC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000741757 [1,0,0,1,0,0|2,0,0]=4 13079 B15R1.1091 CNC(=O)CCCSC1CCCCC1F 62a_100000741757_100015423560 [1,0,0,1,0,0|2,0,0]=4 13080 B15R1.1091 CNC(=O)CCCSC1CCCCC1F 62a_100015423560_100000741757 [1,0,0,1,0,0|2,0,0]=4 13081 B15R1.1091 CNC(=O)CCCSC1CCCCC1O 62a_100000038908_100000741757 [1,0,0,1,0,0|2,0,0]=4 13082 B15R1.1091 CNC(=O)CCCSC1CCCCC1O 62a_100000741757_100000038908 [1,0,0,1,0,0|2,0,0]=4 13083 B15R1.1091 CNC(=O)CCNCC1CCCCC1O 34a_100011216029_100012179268 [1,0,0,1,0,0|2,0,0]=4 13084 B15R1.1091 CNC(=O)CCNCC1CCCCN1C 34a_100000738227_100015186950 [1,0,0,1,0,0|2,0,0]=4 13085 B15R1.1091 CNC(=O)CCNCC1CCCCN1C 34a_100011228421_100012179268 [1,0,0,1,0,0|2,0,0]=4 13086 B15R1.1091 CNC(=O)CCOCC1CCCCN1C 34a_100000225079_100012179268 [1,0,0,1,0,0|2,0,0]=4 13087 B15R1.1091 CNC(=O)CCOCC1CCCCN1C 34a_100000754576_100015186950 [1,0,0,1,0,0|2,0,0]=4 13088 B15R1.1091 CNC(=O)CCSCC1CCCCN1C 62a_100000737683_100015185383 [1,0,0,1,0,0|2,0,0]=4 13089 B15R1.1091 CNC(=O)CCSCC1CCCCN1C 62a_100015185383_100000737683 [1,0,0,1,0,0|2,0,0]=4 13090 B15R1.1091 CNC(=O)CNCCC1CCCCN1C 2230a_100000693194_100000211948 [1,0,0,1,0,0|2,0,0]=4 13091 B15R1.1091 CNC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000183359 [1,0,0,1,0,0|2,0,0]=4 13092 B15R1.1091 CNC(=O)CNCCN1CCCCC1C 34a_100000739827_100000183359 [1,0,0,1,0,0|2,0,0]=4 13093 B15R1.1091 CNC(=O)COCCC1CCCCN1C 34a_100000750040_100000211948 [1,0,0,1,0,0|2,0,0]=4 13094 B15R1.1091 CNC(=O)COCCN1CCCCC1C 34a_100011305533_100000183359 [1,0,0,1,0,0|2,0,0]=4 13095 B15R1.1091 CNC(=O)CSCCC1CCCCN1C 62a_100000183359_100000211948 [1,0,0,1,0,0|2,0,0]=4 13096 B15R1.1091 CNC(=O)CSCCC1CCCCN1C 62a_100000211948_100000183359 [1,0,0,1,0,0|2,0,0]=4 13097 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 2708a_100102657272_100000212276 [1,0,0,1,0,0|2,0,0]=4 13098 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100102657272 [1,0,0,1,0,0|2,0,0]=4 13099 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 273464a_100102657272_100000212276 [1,0,0,1,0,0|2,0,0]=4 13100 B15R1.1091 CNC(=O)NCCCN1CCCCC1C 512a_106832991638_100000212276 [1,0,0,1,0,0|2,0,0]=4 13101 B15R1.1091 CNC(=O)NCCNC1CCCCC1C 269862a_100015205895_100000210921 [1,0,0,1,0,0|2,0,0]=4 13102 B15R1.1091 CNC(=O)OCCNC1CCCCC1C 34a_100000211402_200011997002 [1,0,0,1,0,0|2,0,0]=4 13103 B15R1.1091 CNC(=O)OCCOC1CCCCC1C 34a_100000211207_200011997002 [1,0,0,1,0,0|2,0,0]=4 13104 B15R1.1091 CNC(=O)OCCOC1CCCCC1C 7a_100000211207_200011997002 [1,0,0,1,0,0|2,0,0]=4 13105 B15R1.1091 COC(=O)CCCCN1CCCCC1C 2230a_100000211376_100000204269 [1,0,0,1,0,0|2,0,0]=4 13106 B15R1.1091 COC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000204269 [1,0,0,1,0,0|2,0,0]=4 13107 B15R1.1091 COC(=O)CCCCN1CCCCC1C 34a_100000211376_100000204269 [1,0,0,1,0,0|2,0,0]=4 13108 B15R1.1091 COC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011218270 [1,0,0,1,0,0|2,0,0]=4 13109 B15R1.1091 COC(=O)CCCNC1CCCCC1C 34a_100000211402_100000742333 [1,0,0,1,0,0|2,0,0]=4 13110 B15R1.1091 COC(=O)CCCOC1CCCCC1C 34a_100000211207_100000742333 [1,0,0,1,0,0|2,0,0]=4 13111 B15R1.1091 COC(=O)CCCOC1CCCCC1C 7a_100000211207_100011218270 [1,0,0,1,0,0|2,0,0]=4 13112 B15R1.1101 COC(=O)CCCCCOCC1CC1C 34a_100000744939_100009816466 [1,0,0,1,0,0|2,0,0]=4 13113 B15R1.1101 COC(=O)CCCCCOCC1CC1C 7a_100000744939_100009816466 [1,0,0,1,0,0|2,0,0]=4 13114 B15R1.1102 COC(=O)CCCCCCCN1CCC1 269982a_100000754969_100010004213 [1,0,0,1,0,0|2,0,0]=4 13115 B15R1.1102 COC(=O)CCCCCCNC1CCC1 2230a_100000749019_100009815986 [1,0,0,1,0,0|2,0,0]=4 13116 B15R1.1102 COC(=O)CCCCCCNC1CCC1 34a_100000749019_100009815986 [1,0,0,1,0,0|2,0,0]=4 13117 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100000748187_100009815986 [1,0,0,1,0,0|2,0,0]=4 13118 B15R1.1102 COC(=O)CCCCCCOC1CCC1 34a_100009863599_100000749161 [1,0,0,1,0,0|2,0,0]=4 13119 B15R1.1102 COC(=O)CCCCCCSC1CCC1 62a_100009815986_100000749161 [1,0,0,1,0,0|2,0,0]=4 13120 B15R1.1102 COC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009816466 [1,0,0,1,0,0|2,0,0]=4 13121 B15R1.1102 COC(=O)CCCCCNCC1CCC1 34a_100000738700_100009816466 [1,0,0,1,0,0|2,0,0]=4 13122 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000074720_100000763275 [1,0,0,1,0,0|2,0,0]=4 13123 B15R1.1102 COC(=O)CCCCCOCC1CCC1 34a_100000760304_100009816466 [1,0,0,1,0,0|2,0,0]=4 13124 B15R1.1102 COC(=O)CCCCCOCC1CCC1 7a_100000074720_100000763275 [1,0,0,1,0,0|2,0,0]=4 13125 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100000763275_100009816466 [1,0,0,1,0,0|2,0,0]=4 13126 B15R1.1102 COC(=O)CCCCCSCC1CCC1 62a_100009816466_100000763275 [1,0,0,1,0,0|2,0,0]=4 13127 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 11a_100011804088_100000210414 [1,0,0,1,0,0|2,0,0]=4 13128 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 1626a_100011804088_100000210414 [1,0,0,1,0,0|2,0,0]=4 13129 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 240690a_100011804088_100000210414 [1,0,0,1,0,0|2,0,0]=4 13130 B15R1.1191 CCC(=O)N1CCCCC1CCCOC 527a_100011804088_100000210414 [1,0,0,1,0,0|2,0,0]=4 13131 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210326 [1,0,0,1,0,0|1,0,0]=3 13132 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210215 [1,0,0,1,0,0|1,0,0]=3 13133 B15R1.1191 CCCCCN1CCCCC1C(=O)NC 34a_100011209383_100000718602 [1,0,0,1,0,0|1,0,0]=3 13134 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210326 [1,0,0,1,0,0|2,0,0]=4 13135 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210215 [1,0,0,1,0,0|2,0,0]=4 13136 B15R1.1191 CCCCCN1CCCCC1C(=O)OC 34a_100000734855_100000718602 [1,0,0,1,0,0|2,0,0]=4 13137 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210210 [1,0,0,1,0,0|2,0,0]=4 13138 B15R1.1191 CCCCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210211 [1,0,0,1,0,0|2,0,0]=4 13139 B15R1.1191 CCOCCN1CCCCC1C(=O)NC 2230a_100011209383_100011215890 [1,0,0,1,0,0|2,0,0]=4 13140 B15R1.1191 CCOCCN1CCCCC1C(=O)NC 269982a_100011209383_100011215890 [1,0,0,1,0,0|2,0,0]=4 13141 B15R1.1191 CCOCCN1CCCCC1C(=O)NC 34a_100011209383_100000210147 [1,0,0,1,0,0|2,0,0]=4 13142 B15R1.1191 CCSCCN1CCCCC1C(=O)NC 2230a_100011209383_100000757381 [1,0,0,1,0,0|2,0,0]=4 13143 B15R1.1191 CCSCCN1CCCCC1C(=O)NC 269982a_100011209383_100000757381 [1,0,0,1,0,0|2,0,0]=4 13144 B15R1.1191 CCSCCN1CCCCC1C(=O)NC 34a_100011209383_100000757381 [1,0,0,1,0,0|2,0,0]=4 13145 B15R1.1191 CNC(=O)C1CCCCN1CCCCF 2230a_100011209383_100000729493 [1,0,0,1,0,0|2,0,0]=4 13146 B15R1.1191 CNC(=O)C1CCCCN1CCCCF 269982a_100011209383_100000729493 [1,0,0,1,0,0|2,0,0]=4 13147 B15R1.1191 CNC(=O)C1CCCCN1CCCCF 34a_100011209383_100000729493 [1,0,0,1,0,0|2,0,0]=4 13148 B15R1.1191 CNC(=O)C1CCCCN1CCCCO 2230a_100011209383_100000210776 [1,0,0,1,0,0|2,0,0]=4 13149 B15R1.1191 CNC(=O)C1CCCCN1CCCCO 269982a_100011209383_100000210776 [1,0,0,1,0,0|2,0,0]=4 13150 B15R1.1191 CNC(=O)C1CCCCN1CCCCO 34a_100011209383_100011216708 [1,0,0,1,0,0|2,0,0]=4 13151 B15R1.1191 CNC(=O)C1CCCCN1CCCOC 2230a_100011209383_100000740836 [1,0,0,1,0,0|2,0,0]=4 13152 B15R1.1191 CNC(=O)C1CCCCN1CCCOC 269982a_100011209383_100000740836 [1,0,0,1,0,0|2,0,0]=4 13153 B15R1.1191 CNC(=O)C1CCCCN1CCCOC 34a_100011209383_100000740836 [1,0,0,1,0,0|2,0,0]=4 13154 B15R1.1191 CNC(=O)N1CCCCC1CCCOC 2708a_100102657272_100011804088 [1,0,0,1,0,0|2,0,0]=4 13155 B15R1.1191 CNC(=O)N1CCCCC1CCCOC 273464a_100102657272_100011804088 [1,0,0,1,0,0|2,0,0]=4 13156 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210326 [1,0,0,1,0,0|2,0,0]=4 13157 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210215 [1,0,0,1,0,0|2,0,0]=4 13158 B15R1.1203 CCCCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000718602 [1,0,0,1,0,0|2,0,0]=4 13159 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210681 [1,0,0,1,0,0|2,0,0]=4 13160 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210681 [1,0,0,1,0,0|2,0,0]=4 13161 B15R1.3174 CNC(=O)CCCOCC1CCCN1C 34a_100000743107_100000741757 [1,0,0,1,0,0|2,0,0]=4 13162 B15R1.3174 CNC(=O)CCNCCC1CCCN1C 2230a_100000738227_100000005710 [1,0,0,1,0,0|2,0,0]=4 13163 B15R1.3174 CNC(=O)CCNCCC1CCCN1C 34a_100000738227_100000005710 [1,0,0,1,0,0|2,0,0]=4 13164 B15R1.3174 CNC(=O)CCOCCC1CCCN1C 34a_100000754576_100000005710 [1,0,0,1,0,0|2,0,0]=4 13165 B15R1.3174 CNC(=O)CCOCCC1CCCN1C 34a_100011215177_100012179268 [1,0,0,1,0,0|2,0,0]=4 13166 B15R1.3174 CNC(=O)CCOCCC1CCCN1C 7a_100011215177_100000737683 [1,0,0,1,0,0|2,0,0]=4 13167 B15R1.3174 CNC(=O)CCSCCC1CCCN1C 62a_100000005710_100000737683 [1,0,0,1,0,0|2,0,0]=4 13168 B15R1.3174 CNC(=O)CCSCCC1CCCN1C 62a_100000737683_100000005710 [1,0,0,1,0,0|2,0,0]=4 13169 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_100009816466 [1,0,0,1,0,0|2,0,0]=4 13170 B15R1.3174 COC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_100009816466 [1,0,0,1,0,0|2,0,0]=4 13171 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_100009816466 [1,0,0,1,0,0|2,0,0]=4 13172 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_100009816466 [1,0,0,1,0,0|2,0,0]=4 13173 B15R1.3174 COC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_100009816466 [1,0,0,1,0,0|2,0,0]=4 13174 B15R1.3174 COC(=O)CCCCOC1CCCC1C 34a_100011216460_100000204269 [1,0,0,1,0,0|2,0,0]=4 13175 B15R1.3174 COC(=O)CCCCOC1CCCC1C 7a_100011216460_100000204269 [1,0,0,1,0,0|2,0,0]=4 13176 B15R1.3179 COC(=O)CCCCCCN1CCC1C 269982a_100000755817_100009815986 [1,0,0,1,0,0|2,0,0]=4 13177 B15R1.3179 COC(=O)CCCCCCN1CCC1C 34a_100000755817_100009815986 [1,0,0,1,0,0|2,0,0]=4 13178 B15R1.3523 CCCCCCCCCNC1CCC1=O 34a_100000212291_100009892977 [1,0,0,1,0,0|1,0,0]=3 13179 B15R1.3523 CCCCCCCCCOC1CCC1=O 34a_100000210712_100009892977 [1,0,0,1,0,0|1,0,0]=3 13180 B15R1.3523 CCCCCCCCCOC1CCC1=O 7a_100000210712_100009892977 [1,0,0,1,0,0|1,0,0]=3 13181 B15R1.3523 CCCCCCCCCSC1CCC1=O 62a_100009892977_100000210670 [1,0,0,1,0,0|1,0,0]=3 13182 B15R1.3523 CCCCCCCNCCC1CCC1=O 2230a_100000229938_200016118888 [1,0,0,1,0,0|1,0,0]=3 13183 B15R1.3523 CCCCCCCOCCC1CCC1=O 7a_100000210272_200016118888 [1,0,0,1,0,0|1,0,0]=3 13184 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_100000210614_200016118888 [1,0,0,1,0,0|1,0,0]=3 13185 B15R1.3523 CCCCCCCSCCC1CCC1=O 62a_200016118888_100000210316 [1,0,0,1,0,0|1,0,0]=3 13186 B15R1.3523 CCCCCCOCCOC1CCC1=O 34a_100000691444_100009892977 [1,0,0,1,0,0|2,0,0]=4 13187 B15R1.3523 CCCCCCOCCOC1CCC1=O 7a_100000691444_100009892977 [1,0,0,1,0,0|2,0,0]=4 13188 B15R1.3523 CCCCNCCCCOC1CCC1=O 34a_200011216965_100009892977 [1,0,0,1,0,0|2,0,0]=4 13189 B15R1.3523 CCCCOCCCCOC1CCC1=O 34a_200000760531_100009892977 [1,0,0,1,0,0|2,0,0]=4 13190 B15R1.3523 CCCCOCCCCOC1CCC1=O 7a_200000760531_100009892977 [1,0,0,1,0,0|2,0,0]=4 13191 B15R1.3523 CCCCOCCOCCC1CCC1=O 7a_100000210238_200016118888 [1,0,0,1,0,0|2,0,0]=4 13192 B15R1.3523 CCCCOCCSCCC1CCC1=O 62a_100000743108_200016118888 [1,0,0,1,0,0|2,0,0]=4 13193 B15R1.3523 CCCCOCCSCCC1CCC1=O 62a_200016118888_100000743108 [1,0,0,1,0,0|2,0,0]=4 13194 B15R1.3523 CCCCSCCNCCC1CCC1=O 2230a_100025743550_200016118888 [1,0,0,1,0,0|2,0,0]=4 13195 B15R1.3523 CCCCSCCOCCC1CCC1=O 7a_200000230436_200016118888 [1,0,0,1,0,0|2,0,0]=4 13196 B15R1.3523 CCCOCCCNCCC1CCC1=O 2230a_100011217757_200016118888 [1,0,0,1,0,0|2,0,0]=4 13197 B15R1.3523 COCCCCCNCCC1CCC1=O 2230a_100000747528_200016118888 [1,0,0,1,0,0|2,0,0]=4 13198 B15R1.3523 NCCCCCCCCOC1CCC1=O 34a_102515433106_100009892977 [1,0,0,1,0,0|2,0,0]=4 13199 B15R1.3523 O=C1CCC1CCNCCCCCCO 2230a_100000686447_200016118888 [1,0,0,1,0,0|2,0,0]=4 13200 B15R1.3523 O=C1CCC1CCOCCCCCCBr 7a_100011215345_200016118888 [1,0,0,1,0,0|2,0,0]=4 13201 B15R1.3523 O=C1CCC1CCOCCCCCCCl 7a_100000766143_200016118888 [1,0,0,1,0,0|2,0,0]=4 13202 B15R1.3523 O=C1CCC1CCOCCCCCCF 7a_100000732779_200016118888 [1,0,0,1,0,0|2,0,0]=4 13203 B15R1.3523 O=C1CCC1CCSCCCCCCF 62a_100015922095_200016118888 [1,0,0,1,0,0|2,0,0]=4 13204 B15R1.3523 O=C1CCC1CCSCCCCCCF 62a_200016118888_100015922095 [1,0,0,1,0,0|2,0,0]=4 13205 B15R1.3523 O=C1CCC1CCSCCCCCCO 62a_100000766143_200016118888 [1,0,0,1,0,0|2,0,0]=4 13206 B15R1.3523 O=C1CCC1CCSCCCCCCO 62a_200016118888_100000766143 [1,0,0,1,0,0|2,0,0]=4 13207 B15R1.3523 O=C1CCC1NCCCCCCCCO 34a_102515433106_100009892977 [1,0,0,1,0,0|2,0,0]=4 13208 B15R1.3523 O=C1CCC1OCCCCCCCCBr 34a_100009813846_100009892977 [1,0,0,1,0,0|2,0,0]=4 13209 B15R1.3523 O=C1CCC1OCCCCCCCCBr 7a_100009813846_100009892977 [1,0,0,1,0,0|2,0,0]=4 13210 B15R1.3523 O=C1CCC1OCCCCCCCCCl 34a_100000033203_100009892977 [1,0,0,1,0,0|2,0,0]=4 13211 B15R1.3523 O=C1CCC1OCCCCCCCCCl 7a_100000033203_100009892977 [1,0,0,1,0,0|2,0,0]=4 13212 B15R1.3523 O=C1CCC1SCCCCCCCCO 62a_100000033203_100009892977 [1,0,0,1,0,0|2,0,0]=4 13213 B15R1.3523 O=C1CCC1SCCCCCCCCO 62a_100009892977_100000033203 [1,0,0,1,0,0|2,0,0]=4 13214 B15R1.3529 CCC(=O)NCCNC1CCCC1CC 269862a_100132302217_100000749056 [1,0,0,1,0,0|2,0,0]=4 13215 B15R1.3529 CCC(=O)NCCNC1CCCC1CC 270004a_100132302217_100000749056 [1,0,0,1,0,0|2,0,0]=4 13216 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 269862a_100000740002_100000749056 [1,0,0,1,0,0|1,0,0]=3 13217 B15R1.3529 CCC1CCCC1NCCCC(=O)NC 270004a_100000740002_100000749056 [1,0,0,1,0,0|1,0,0]=3 13218 B15R1.3529 CCC1CCCC1NCCNC(=O)NC 269862a_100015205895_100000749056 [1,0,0,1,0,0|2,0,0]=4 13219 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 2230a_100000754278_100000204269 [1,0,0,1,0,0|2,0,0]=4 13220 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 269982a_100000754278_100000204269 [1,0,0,1,0,0|2,0,0]=4 13221 B15R1.3529 CCC1CCCN1CCCCC(=O)OC 34a_100000754278_100000204269 [1,0,0,1,0,0|2,0,0]=4 13222 B15R1.3529 CCN1CCCC1CNCCC(=O)NC 2230a_100000211693_100000737683 [1,0,0,1,0,0|2,0,0]=4 13223 B15R1.3529 CCN1CCC[C@@H]1COCCC(=O)NC 34a_100011739246_100012179268 [1,0,0,1,0,0|2,0,0]=4 13224 B15R1.3529 CCN1CCC[C@@H]1COCCC(=O)NC 7a_100011739246_100000737683 [1,0,0,1,0,0|2,0,0]=4 13225 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210681 [1,0,0,1,0,0|2,0,0]=4 13226 B15R1.4155 CCCCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210681 [1,0,0,1,0,0|2,0,0]=4 13227 B15R1.6326 CCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210759 [1,0,0,1,0,0|2,0,0]=4 13228 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737683 [1,0,0,1,0,0|1,0,0]=3 13229 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737683 [1,0,0,1,0,0|1,0,0]=3 13230 B15R1.11427 CNC(=O)CCN1CCCCCCCC1 34a_100000039187_100012179268 [1,0,0,1,0,0|1,0,0]=3 13231 B15R1.11427 CNC(=O)CNC1CCCCCCCC1 270004a_100000693194_100000038600 [1,0,0,1,0,0|1,0,0]=3 13232 B15R1.11427 COC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000204255 [1,0,0,1,0,0|2,0,0]=4 13233 B15R1.11427 COC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000204255 [1,0,0,1,0,0|2,0,0]=4 13234 B15R1.11427 COC(=O)CCN1CCCCCCCC1 34a_100000039187_100000742370 [1,0,0,1,0,0|2,0,0]=4 13235 B15R1.11631 COC(=O)CCCCCCCNC1CC1 34a_100000212008_100010004213 [1,0,0,1,0,0|2,0,0]=4 13236 B15R1.11631 COC(=O)CCCCCCCOC1CC1 34a_100011022521_100000211595 [1,0,0,1,0,0|2,0,0]=4 13237 B15R1.11631 COC(=O)CCCCCCCSC1CC1 62a_100010004213_100000211595 [1,0,0,1,0,0|2,0,0]=4 13238 B15R1.11631 COC(=O)CCCCCCNCC1CC1 2230a_100000735609_100009815986 [1,0,0,1,0,0|2,0,0]=4 13239 B15R1.11631 COC(=O)CCCCCCNCC1CC1 34a_100000735609_100009815986 [1,0,0,1,0,0|2,0,0]=4 13240 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100000211283_100009815986 [1,0,0,1,0,0|2,0,0]=4 13241 B15R1.11631 COC(=O)CCCCCCOCC1CC1 34a_100009863599_100000742324 [1,0,0,1,0,0|2,0,0]=4 13242 B15R1.11631 COC(=O)CCCCCCOCC1CC1 7a_100009863599_100000742324 [1,0,0,1,0,0|2,0,0]=4 13243 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100000756562_100009815986 [1,0,0,1,0,0|2,0,0]=4 13244 B15R1.11631 COC(=O)CCCCCCSCC1CC1 62a_100009815986_100000742324 [1,0,0,1,0,0|2,0,0]=4 13245 B15R1.11631 COC(=O)CCCCCNCCC1CC1 34a_100000764129_100009816466 [1,0,0,1,0,0|2,0,0]=4 13246 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000074720_100000694398 [1,0,0,1,0,0|2,0,0]=4 13247 B15R1.11631 COC(=O)CCCCCOCCC1CC1 34a_100000754188_100009816466 [1,0,0,1,0,0|2,0,0]=4 13248 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000074720_100000764125 [1,0,0,1,0,0|2,0,0]=4 13249 B15R1.11631 COC(=O)CCCCCOCCC1CC1 7a_100000754188_100009816466 [1,0,0,1,0,0|2,0,0]=4 13250 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100000764125_100009816466 [1,0,0,1,0,0|2,0,0]=4 13251 B15R1.11631 COC(=O)CCCCCSCCC1CC1 62a_100009816466_100000764125 [1,0,0,1,0,0|2,0,0]=4 13252 B15R1.12309 CCC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747405 [1,0,0,1,0,0|2,0,0]=4 13253 B15R1.12309 CCC(=O)CSCCN1CCCCCC1 62a_100000747405_100000722644 [1,0,0,1,0,0|2,0,0]=4 13254 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000210414 [1,0,0,1,0,0|2,0,0]=4 13255 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000210414 [1,0,0,1,0,0|2,0,0]=4 13256 B15R1.12309 CCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000210414 [1,0,0,1,0,0|2,0,0]=4 13257 B15R1.12309 CCC(=O)NCCNC1CCCCCC1 270004a_100132302217_100000210131 [1,0,0,1,0,0|2,0,0]=4 13258 B15R1.12309 CCC(=O)NCCNC1CCCCCC1 34a_100132302217_100011217769 [1,0,0,1,0,0|2,0,0]=4 13259 B15R1.12309 CCC(=O)NCCOC1CCCCCC1 34a_200000158885_100011217769 [1,0,0,1,0,0|2,0,0]=4 13260 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100000741757 [1,0,0,1,0,0|1,0,0]=3 13261 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 270004a_100000740002_100000210131 [1,0,0,1,0,0|1,0,0]=3 13262 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000210984_100000741757 [1,0,0,1,0,0|1,0,0]=3 13263 B15R1.12309 CNC(=O)CCCNC1CCCCCC1 34a_100000740002_100011217769 [1,0,0,1,0,0|1,0,0]=3 13264 B15R1.12309 CNC(=O)CCCNC1CCCNCC1 270004a_100000740002_100015187895 [1,0,0,1,0,0|2,0,0]=4 13265 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 34a_100000210887_100000741757 [1,0,0,1,0,0|1,0,0]=3 13266 B15R1.12309 CNC(=O)CCCOC1CCCCCC1 7a_100000210887_100000741757 [1,0,0,1,0,0|1,0,0]=3 13267 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100000741757_100011217769 [1,0,0,1,0,0|1,0,0]=3 13268 B15R1.12309 CNC(=O)CCCSC1CCCCCC1 62a_100011217769_100000741757 [1,0,0,1,0,0|1,0,0]=3 13269 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100000738227_200000696569 [1,0,0,1,0,0|1,0,0]=3 13270 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737683 [1,0,0,1,0,0|1,0,0]=3 13271 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 269862a_100000738227_200000763224 [1,0,0,1,0,0|1,0,0]=3 13272 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100000738227_200000696569 [1,0,0,1,0,0|1,0,0]=3 13273 B15R1.12309 CNC(=O)CCNCC1CCCCCC1 34a_100015204231_100012179268 [1,0,0,1,0,0|1,0,0]=3 13274 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000699130_100012179268 [1,0,0,1,0,0|1,0,0]=3 13275 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 34a_100000754576_200000696569 [1,0,0,1,0,0|1,0,0]=3 13276 B15R1.12309 CNC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737683 [1,0,0,1,0,0|1,0,0]=3 13277 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_100000737683_200000696569 [1,0,0,1,0,0|1,0,0]=3 13278 B15R1.12309 CNC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737683 [1,0,0,1,0,0|1,0,0]=3 13279 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183359 [1,0,0,1,0,0|1,0,0]=3 13280 B15R1.12309 CNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183359 [1,0,0,1,0,0|1,0,0]=3 13281 B15R1.12309 CNC(=O)COCCN1CCCCCC1 34a_100000238007_100000183359 [1,0,0,1,0,0|2,0,0]=4 13282 B15R1.12309 CNC(=O)CSCCN1CCCCCC1 62a_100000183359_100000722644 [1,0,0,1,0,0|2,0,0]=4 13283 B15R1.12309 CNC(=O)CSCCN1CCCCCC1 62a_100000722644_100000183359 [1,0,0,1,0,0|2,0,0]=4 13284 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 2708a_100102657272_100000181460 [1,0,0,1,0,0|2,0,0]=4 13285 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100102657272 [1,0,0,1,0,0|2,0,0]=4 13286 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 273464a_100102657272_100000181460 [1,0,0,1,0,0|2,0,0]=4 13287 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 512a_100000181460_100102657272 [1,0,0,1,0,0|2,0,0]=4 13288 B15R1.12309 CNC(=O)NCCCN1CCCCCC1 512a_106832991638_100000181460 [1,0,0,1,0,0|2,0,0]=4 13289 B15R1.12309 CNC(=O)NCCNC1CCCCCC1 34a_100015205895_100011217769 [1,0,0,1,0,0|2,0,0]=4 13290 B15R1.12309 CNC(=O)OCCNC1CCCCCC1 34a_100000210984_200011997002 [1,0,0,1,0,0|2,0,0]=4 13291 B15R1.12309 CNC(=O)OCCOC1CCCCCC1 34a_100000210887_200011997002 [1,0,0,1,0,0|2,0,0]=4 13292 B15R1.12309 CNC(=O)OCCOC1CCCCCC1 7a_100000210887_200011997002 [1,0,0,1,0,0|2,0,0]=4 13293 B15R1.12309 CNC(=O)OCCSC1CCCCCC1 62a_100011217769_200011997002 [1,0,0,1,0,0|2,0,0]=4 13294 B15R1.12309 CNC(=O)OCCSC1CCCCCC1 62a_200011997002_100011217769 [1,0,0,1,0,0|2,0,0]=4 13295 B15R1.12309 COC(=O)CCCCN1CCCCCC1 2230a_100000185865_100000204269 [1,0,0,1,0,0|2,0,0]=4 13296 B15R1.12309 COC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000204269 [1,0,0,1,0,0|2,0,0]=4 13297 B15R1.12309 COC(=O)CCCCN1CCCCCC1 34a_100000185865_100000204269 [1,0,0,1,0,0|2,0,0]=4 13298 B15R1.12309 COC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011218270 [1,0,0,1,0,0|2,0,0]=4 13299 B15R1.12309 COC(=O)CCCNC1CCCCCC1 34a_100000210984_100000742333 [1,0,0,1,0,0|2,0,0]=4 13300 B15R1.12309 COC(=O)CCCOC1CCCCCC1 34a_100000210887_100000742333 [1,0,0,1,0,0|2,0,0]=4 13301 B15R1.12309 COC(=O)CCCOC1CCCCCC1 7a_100000210887_100011218270 [1,0,0,1,0,0|2,0,0]=4 13302 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011217769_100011218270 [1,0,0,1,0,0|2,0,0]=4 13303 B15R1.12309 COC(=O)CCCSC1CCCCCC1 62a_100011218270_100011217769 [1,0,0,1,0,0|2,0,0]=4 13304 B15R1.12309 COC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000204255 [1,0,0,1,0,0|2,0,0]=4 13305 B15R1.12309 COC(=O)CCNCC1CCCCCC1 34a_100015204231_100000742370 [1,0,0,1,0,0|2,0,0]=4 13306 B15R1.12309 COC(=O)CCOCC1CCCCCC1 34a_100000699130_100000742370 [1,0,0,1,0,0|2,0,0]=4 13307 B15R1.12309 COC(=O)CCOCC1CCCCCC1 7a_100000699130_100000204255 [1,0,0,1,0,0|2,0,0]=4 13308 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_100000204255_200000696569 [1,0,0,1,0,0|2,0,0]=4 13309 B15R1.12309 COC(=O)CCSCC1CCCCCC1 62a_200000696569_100000204255 [1,0,0,1,0,0|2,0,0]=4 13310 B15R1.12309 COC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747449 [1,0,0,1,0,0|2,0,0]=4 13311 B15R1.12309 COC(=O)CNCCC1CCCCCC1 34a_100011532351_100000747449 [1,0,0,1,0,0|2,0,0]=4 13312 B15R1.12309 NNC(=O)CCCOC1CCCCCC1 34a_100000211488_100011217769 [1,0,0,1,0,0|2,0,0]=4 13313 B15R1.12436 CCC(=O)COCC1CCCCCCC1 7a_100011216312_100000747405 [1,0,0,1,0,0|1,0,0]=3 13314 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210414 [1,0,0,1,0,0|1,0,0]=3 13315 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210414 [1,0,0,1,0,0|1,0,0]=3 13316 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210414 [1,0,0,1,0,0|1,0,0]=3 13317 B15R1.12436 CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210414 [1,0,0,1,0,0|1,0,0]=3 13318 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100000741757 [1,0,0,1,0,0|1,0,0]=3 13319 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100000741757 [1,0,0,1,0,0|1,0,0]=3 13320 B15R1.12436 CNC(=O)CCCN1CCCCCCC1 34a_100000211400_100000741757 [1,0,0,1,0,0|1,0,0]=3 13321 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737683 [1,0,0,1,0,0|1,0,0]=3 13322 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 270004a_100000738227_100000210524 [1,0,0,1,0,0|1,0,0]=3 13323 B15R1.12436 CNC(=O)CCNC1CCCCCCC1 34a_100000211152_100012179268 [1,0,0,1,0,0|1,0,0]=3 13324 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 34a_100000210054_100012179268 [1,0,0,1,0,0|1,0,0]=3 13325 B15R1.12436 CNC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737683 [1,0,0,1,0,0|1,0,0]=3 13326 B15R1.12436 CNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183359 [1,0,0,1,0,0|1,0,0]=3 13327 B15R1.12436 CNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183359 [1,0,0,1,0,0|1,0,0]=3 13328 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_106832991635 [1,0,0,1,0,0|1,0,0]=3 13329 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 2708a_100102657272_100011532352 [1,0,0,1,0,0|1,0,0]=3 13330 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100102657272 [1,0,0,1,0,0|1,0,0]=3 13331 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 273464a_100102657272_100011532352 [1,0,0,1,0,0|1,0,0]=3 13332 B15R1.12436 CNC(=O)NCCC1CCCCCCC1 512a_106832991638_100011532352 [1,0,0,1,0,0|1,0,0]=3 13333 B15R1.12436 CNC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011997002 [1,0,0,1,0,0|2,0,0]=4 13334 B15R1.12436 CNC(=O)OCCN1CCCCCCC1 34a_100000211400_200011997002 [1,0,0,1,0,0|2,0,0]=4 13335 B15R1.12436 COC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011218270 [1,0,0,1,0,0|2,0,0]=4 13336 B15R1.12436 COC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011218270 [1,0,0,1,0,0|2,0,0]=4 13337 B15R1.12436 COC(=O)CCCN1CCCCCCC1 34a_100000211400_100000742333 [1,0,0,1,0,0|2,0,0]=4 13338 B15R1.12436 COC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000204255 [1,0,0,1,0,0|2,0,0]=4 13339 B15R1.12436 COC(=O)CCNC1CCCCCCC1 34a_100000211152_100000742370 [1,0,0,1,0,0|2,0,0]=4 13340 B15R1.12436 COC(=O)CCOC1CCCCCCC1 34a_100000210054_100000742370 [1,0,0,1,0,0|2,0,0]=4 13341 B15R1.12436 COC(=O)CCOC1CCCCCCC1 7a_100000210054_100000204255 [1,0,0,1,0,0|2,0,0]=4 13342 B15R1.12436 COC(=O)COCC1CCCCCCC1 34a_100011216312_100000747449 [1,0,0,1,0,0|2,0,0]=4 13343 B15R1.12436 COC(=O)COCC1CCCCCCC1 7a_100011216312_100000747449 [1,0,0,1,0,0|2,0,0]=4 13344 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 240690a_100011532352_100000210174 [1,0,0,1,0,0|2,0,0]=4 13345 B15R1.12436 O=C(CO)NCCC1CCCCCCC1 527a_100011532352_100000210174 [1,0,0,1,0,0|2,0,0]=4 13346 B15R1.35 CC/C=C/CCCOCC1CCCCC1 34a_100016287902_100000211423 [1,0,0,1,0,0|2,0,0]=4 13347 B15R1.35 CC/C=C/CCCOCC1CCCCC1 7a_100016287902_100000211423 [1,0,0,1,0,0|2,0,0]=4 13348 B15R1.35 CC/C=C\CCCCOC1CCCCC1 34a_100016287862_100000210327 [1,0,0,1,0,0|2,0,0]=4 13349 B15R1.35 CC/C=C\CCCCOC1CCCCC1 7a_100016287862_100000210327 [1,0,0,1,0,0|2,0,0]=4 13350 B15R1.35 CC/C=C\CCNCCC1CCCCC1 2230a_100000738074_100015370543 [1,0,0,1,0,0|2,0,0]=4 13351 B15R1.35 CC/C=C\CCNCCC1CCCCC1 34a_100000738074_100015370543 [1,0,0,1,0,0|2,0,0]=4 13352 B15R1.35 CC/C=C\CCOCCC1CCCCC1 34a_100011217863_100015370543 [1,0,0,1,0,0|2,0,0]=4 13353 B15R1.35 CC/C=C\CCOCCC1CCCCC1 34a_100016288707_100011209188 [1,0,0,1,0,0|2,0,0]=4 13354 B15R1.35 CC/C=C\CCOCCC1CCCCC1 7a_100011217863_100015370543 [1,0,0,1,0,0|2,0,0]=4 13355 B15R1.35 CC/C=C\CCOCCC1CCCCC1 7a_100016288707_100011273959 [1,0,0,1,0,0|2,0,0]=4 13356 B15R1.35 CC/C=C\CCSCCC1CCCCC1 62a_100012355289_100015370543 [1,0,0,1,0,0|2,0,0]=4 13357 B15R1.35 CC/C=C\CCSCCC1CCCCC1 62a_100015370543_100012355289 [1,0,0,1,0,0|2,0,0]=4 13358 B15R1.35 CC/C=C\CNCCCC1CCCCC1 2230a_100011211642_100103147603 [1,0,0,1,0,0|2,0,0]=4 13359 B15R1.35 CC/C=C\CNCCCC1CCCCC1 34a_100011211642_100103147603 [1,0,0,1,0,0|2,0,0]=4 13360 B15R1.35 CC/C=C\COCCCC1CCCCC1 34a_100000198086_100103147603 [1,0,0,1,0,0|2,0,0]=4 13361 B15R1.35 CC/C=C\COCCCC1CCCCC1 34a_100016268518_100011713725 [1,0,0,1,0,0|2,0,0]=4 13362 B15R1.35 CC/C=C\COCCCC1CCCCC1 7a_100000198086_100103147603 [1,0,0,1,0,0|2,0,0]=4 13363 B15R1.35 CC/C=C\CSCCCC1CCCCC1 62a_100011713725_100103147603 [1,0,0,1,0,0|2,0,0]=4 13364 B15R1.35 CC/C=C\CSCCCC1CCCCC1 62a_100103147603_100011713725 [1,0,0,1,0,0|2,0,0]=4 13365 B15R1.35 CCCCCCCCCN1CC=CCC1 2230a_100000698166_100011214924 [1,0,0,1,0,0|2,0,0]=4 13366 B15R1.35 CCCCCCCCCN1CC=CCC1 269982a_100000698166_100000210670 [1,0,0,1,0,0|2,0,0]=4 13367 B15R1.35 CCCCCCCCCN1CC=CCC1 34a_100000698166_100011214924 [1,0,0,1,0,0|2,0,0]=4 13368 B15R1.35 CCCCCCCCNC1CCNCC1 270004a_100000229939_100015192401 [1,0,0,1,0,0|1,0,1]=4 13369 B15R1.35 CCCCCCCCOC1CC=CCC1 34a_100000073881_100000210759 [1,0,0,1,0,0|2,0,0]=4 13370 B15R1.35 CCCCCCCNCC1CC=CCC1 270004a_100000229938_100000189434 [1,0,0,1,0,0|2,0,0]=4 13371 B15R1.35 CCCCCCCOCC1CC=CCC1 34a_100000210713_100000210614 [1,0,0,1,0,0|2,0,0]=4 13372 B15R1.35 CCCCCCCOCC1CCNCC1 34a_100000738675_100000210614 [1,0,0,1,0,0|1,0,1]=4 13373 B15R1.35 CCCCCCOCCC1CCNCC1 34a_100015190746_100000210314 [1,0,0,1,0,0|1,0,1]=4 13374 B15R1.35 CCCCCOCCCC1CCNCC1 34a_100016988962_100000718602 [1,0,0,1,0,0|1,0,1]=4 13375 B15R1.35 CCCCOCCCCC1CCNCC1 34a_100016989291_100000210210 [1,0,0,1,0,0|1,0,1]=4 13376 B15R1.242 CC/C=C\CCN1CCCCC1CCC 2230a_100000701414_100015370543 [1,0,0,1,0,0|2,0,0]=4 13377 B15R1.242 CC/C=C\CCN1CCCCC1CCC 269982a_100000701414_100015370543 [1,0,0,1,0,0|2,0,0]=4 13378 B15R1.242 CC/C=C\CCN1CCCCC1CCC 34a_100000701414_100015370543 [1,0,0,1,0,0|2,0,0]=4 13379 B15R1.242 CC/C=C\COC1CCCCC1CCC 34a_100011217265_100103147603 [1,0,0,1,0,0|2,0,0]=4 13380 B15R1.242 CC/C=C\COC1CCCCC1CCC 7a_100011217265_100103147603 [1,0,0,1,0,0|2,0,0]=4 13381 B15R1.249 CCCCCCC1CCCC1=NNCC 4a_100000756455_100000189428 [1,0,0,1,0,0|1,0,1]=4 13382 B15R1.249 CCCCCCC1CCCC1NCCC 269862a_100020643023_100000189428 [1,0,0,1,0,0|2,0,0]=4 13383 B15R1.249 CCCCCCC1CCCC1NCCC 270004a_100020643023_100000189428 [1,0,0,1,0,0|2,0,0]=4 13384 B15R1.528 CC/C=C/CCCOCCC1CCCC1 34a_100016287902_100000760354 [1,0,0,1,0,0|2,0,0]=4 13385 B15R1.528 CC/C=C/CCCOCCC1CCCC1 7a_100016287902_100000760354 [1,0,0,1,0,0|2,0,0]=4 13386 B15R1.528 CC/C=C\CCCCCNC1CCCC1 269862a_100000211070_100016288537 [1,0,0,1,0,0|2,0,0]=4 13387 B15R1.528 CC/C=C\CCCCCOC1CCCC1 34a_100016268722_100000179811 [1,0,0,1,0,0|2,0,0]=4 13388 B15R1.528 CC/C=C\CCCCCOC1CCCC1 7a_100016268722_100000179811 [1,0,0,1,0,0|2,0,0]=4 13389 B15R1.528 CC/C=C\CCCCOCC1CCCC1 34a_100016287862_100000740388 [1,0,0,1,0,0|2,0,0]=4 13390 B15R1.528 CC/C=C\CCCCOCC1CCCC1 7a_100016287862_100000740388 [1,0,0,1,0,0|2,0,0]=4 13391 B15R1.528 CC/C=C\CCNCCCC1CCCC1 2230a_100000736752_100015370543 [1,0,0,1,0,0|2,0,0]=4 13392 B15R1.528 CC/C=C\CCNCCCC1CCCC1 34a_100000736752_100015370543 [1,0,0,1,0,0|2,0,0]=4 13393 B15R1.528 CC/C=C\CCOCCCC1CCCC1 34a_100011215328_100015370543 [1,0,0,1,0,0|2,0,0]=4 13394 B15R1.528 CC/C=C\CCOCCCC1CCCC1 34a_100016288707_100011713738 [1,0,0,1,0,0|2,0,0]=4 13395 B15R1.528 CC/C=C\CCOCCCC1CCCC1 7a_100011215328_100015370543 [1,0,0,1,0,0|2,0,0]=4 13396 B15R1.528 CC/C=C\CCOCCCC1CCCC1 7a_100016288707_100011713738 [1,0,0,1,0,0|2,0,0]=4 13397 B15R1.528 CC/C=C\CCSCCCC1CCCC1 62a_100011713738_100015370543 [1,0,0,1,0,0|2,0,0]=4 13398 B15R1.528 CC/C=C\CCSCCCC1CCCC1 62a_100015370543_100011713738 [1,0,0,1,0,0|2,0,0]=4 13399 B15R1.528 CCCCCCCCOCC1CCNC1 34a_100000748654_100000210759 [1,0,0,1,0,0|1,0,1]=4 13400 B15R1.528 CCCCCCCOCCC1CCNC1 34a_100016987287_100000210614 [1,0,0,1,0,0|1,0,1]=4 13401 B15R1.553 CCCCCCNCC1CCCN1CC 2230a_100000211693_100000210314 [1,0,0,1,0,0|1,0,1]=4 13402 B15R1.553 CCCCCCOC[C@H]1CCCN1CC 34a_100011739246_100000210314 [1,0,0,1,0,0|1,0,1]=4 13403 B15R1.553 CCCCCCOC[C@H]1CCCN1CC 7a_100011739246_100000210314 [1,0,0,1,0,0|1,0,1]=4 13404 B15R1.1045 CC/C=C\CCOC1CCCCC1CC 34a_100000210738_100015370543 [1,0,0,1,0,0|2,0,0]=4 13405 B15R1.1045 CC/C=C\CCOC1CCCCC1CC 7a_100000210738_100015370543 [1,0,0,1,0,0|2,0,0]=4 13406 B15R1.1045 CCCCCNCC1CCCCN1CC 2230a_100000754393_100000210326 [1,0,0,1,0,0|1,0,1]=4 13407 B15R1.1045 CCCCCNCC1CCCCN1CC 34a_100000754393_100000718602 [1,0,0,1,0,0|1,0,1]=4 13408 B15R1.1045 CCCCCOCC1CCCCN1CC 34a_100000225091_100000718602 [1,0,0,1,0,0|1,0,1]=4 13409 B15R1.1045 CCCCCOCC1CCCCN1CC 7a_100000225091_100000210326 [1,0,0,1,0,0|1,0,1]=4 13410 B15R1.1948 CCCCCCCC1CCCC1NCC 269862a_100015525214_200011216720 [1,0,0,1,0,0|0,0,1]=3 13411 B15R1.1948 CCCCCCCC1CCCC1NCC 270004a_100015525214_200011216720 [1,0,0,1,0,0|0,0,1]=3 13412 B15R1.1951 CC/C=C\CCNC1CCCCCCC1 2230a_100000211152_100015370543 [1,0,0,1,0,0|2,0,0]=4 13413 B15R1.1951 CC/C=C\CCNC1CCCCCCC1 34a_100000211152_100015370543 [1,0,0,1,0,0|2,0,0]=4 13414 B15R1.1951 CC/C=C\CCOC1CCCCCCC1 34a_100000210054_100015370543 [1,0,0,1,0,0|2,0,0]=4 13415 B15R1.1951 CC/C=C\CCOC1CCCCCCC1 7a_100000210054_100015370543 [1,0,0,1,0,0|2,0,0]=4 13416 B15R1.1951 CC/C=C\COCC1CCCCCCC1 34a_100011216312_100103147603 [1,0,0,1,0,0|2,0,0]=4 13417 B15R1.1951 CC/C=C\COCC1CCCCCCC1 7a_100011216312_100103147603 [1,0,0,1,0,0|2,0,0]=4 13418 B15R1.1951 CCCCCCOC1CC/C=C\CCC1 34a_100000210259_100021000466 [1,0,0,1,0,0|2,0,0]=4 13419 B15R1.1951 CCCCCCOC1CC/C=C\CCC1 34a_100016989180_100000210314 [1,0,0,1,0,0|2,0,0]=4 13420 B15R1.1951 CCCCCCOC1CC/C=C\CCC1 7a_100000210259_100021000466 [1,0,0,1,0,0|2,0,0]=4 13421 B15R1.1951 CCCCCCSC1CC/C=C\CCC1 62a_100000210314_100021000466 [1,0,0,1,0,0|2,0,0]=4 13422 B15R1.1951 CCCCCCSC1CC/C=C\CCC1 62a_100021000466_100000210757 [1,0,0,1,0,0|2,0,0]=4 13423 B15R1.1951 CCCCCNCC1CC/C=C\CCC1 2230a_100102730862_100000210326 [1,0,0,1,0,0|2,0,0]=4 13424 B15R1.1951 CCCCCNCC1CC/C=C\CCC1 34a_100102730862_100000718602 [1,0,0,1,0,0|2,0,0]=4 13425 B15R1.3873 CCNC1CCCCCCCCCCC1 2230a_100011194316_100000210202 [1,0,0,1,0,0|0,0,1]=3 13426 B15R1.3873 CCNC1CCCCCCCCCCC1 270004a_100015525214_100000210130 [1,0,0,1,0,0|0,0,1]=3 13427 B15R1.3873 CCNC1CCCCCCCCCCC1 34a_100011194316_100000210202 [1,0,0,1,0,0|0,0,1]=3 13428 B15R1.3873 CCOC1CCCCCCCCCCC1 34a_100000211378_100000210202 [1,0,0,1,0,0|1,0,1]=4 13429 B15R1.3873 CCOC1CCCCCCCCCCC1 7a_100000211378_100000210202 [1,0,0,1,0,0|1,0,1]=4 13430 B15R1.3873 FCNC1CCCCCCCCCCC1 34a_100011194316_100015361967 [1,0,0,1,0,0|1,0,1]=4 13431 B15R1.6328 CC/C=C/CCCOC1CCCCCC1 34a_100016287902_100011217769 [1,0,0,1,0,0|2,0,0]=4 13432 B15R1.6328 CC/C=C\CCNCC1CCCCCC1 2230a_100015204231_100015370543 [1,0,0,1,0,0|2,0,0]=4 13433 B15R1.6328 CC/C=C\CCNCC1CCCCCC1 34a_100015204231_100015370543 [1,0,0,1,0,0|2,0,0]=4 13434 B15R1.6328 CC/C=C\CCOCC1CCCCCC1 34a_100000699130_100015370543 [1,0,0,1,0,0|2,0,0]=4 13435 B15R1.6328 CC/C=C\CCOCC1CCCCCC1 34a_100016288707_200000696569 [1,0,0,1,0,0|2,0,0]=4 13436 B15R1.6328 CC/C=C\CCOCC1CCCCCC1 7a_100000699130_100015370543 [1,0,0,1,0,0|2,0,0]=4 13437 B15R1.6328 CC/C=C\CCOCC1CCCCCC1 7a_100016288707_200000696569 [1,0,0,1,0,0|2,0,0]=4 13438 B15R1.6328 CC/C=C\CCSCC1CCCCCC1 62a_100015370543_200000696569 [1,0,0,1,0,0|2,0,0]=4 13439 B15R1.6328 CC/C=C\CCSCC1CCCCCC1 62a_200000696569_100015370543 [1,0,0,1,0,0|2,0,0]=4 13440 B15R1.6328 CC/C=C\CNCCC1CCCCCC1 2230a_100011532351_100103147603 [1,0,0,1,0,0|2,0,0]=4 13441 B15R1.6328 CC/C=C\CNCCC1CCCCCC1 34a_100011532351_100103147603 [1,0,0,1,0,0|2,0,0]=4 13442 B15R1.6328 CCCCCCCNC1CCCNCC1 270004a_100000229938_100015187895 [1,0,0,1,0,0|1,0,1]=4 13443 B15R1.9199 CC/C=C\CCCCCNCCC1CC1 269862a_100000764129_100016288537 [1,0,0,1,0,0|2,0,0]=4 13444 B15R1.9199 CC/C=C\CCCCCOCCC1CC1 34a_100016268722_100000694398 [1,0,0,1,0,0|2,0,0]=4 13445 B15R1.9199 CC/C=C\CCCCCOCCC1CC1 7a_100016268722_100000764125 [1,0,0,1,0,0|2,0,0]=4 13446 B15R1.9199 CCCCCCCCCCCNC1CC1 34a_100000212008_100011215454 [1,0,0,1,0,0|2,0,0]=4 13447 B15R1.9199 CCCCCCCCCCCNC1CC1 34a_200011215754_100000211595 [1,0,0,1,0,0|2,0,0]=4 13448 B15R1.9199 CCCCCCCCCCCOC1CC1 34a_100000210809_100000211595 [1,0,0,1,0,0|2,0,0]=4 13449 B15R1.11854 CC/C=C\CCN1CCCCCCCC1 2230a_100000039187_100015370543 [1,0,0,1,0,0|2,0,0]=4 13450 B15R1.11854 CC/C=C\CCN1CCCCCCCC1 269982a_100000039187_100015370543 [1,0,0,1,0,0|2,0,0]=4 13451 B15R1.11854 CC/C=C\CCN1CCCCCCCC1 34a_100000039187_100015370543 [1,0,0,1,0,0|2,0,0]=4 13452 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [1,0,0,1,0,0|1,0,0]=3 13453 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [1,0,0,1,0,0|2,0,0]=4 13454 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [1,0,0,1,0,0|1,0,0]=3 13455 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [1,0,0,1,0,0|1,0,0]=3 13456 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [1,0,0,1,0,0|2,0,0]=4 13457 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [1,0,0,1,0,0|1,0,0]=3 13458 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [1,0,0,1,0,0|1,0,0]=3 13459 B15R1.106 CCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210211 [1,0,0,1,0,0|2,0,0]=4 13460 B15R1.106 CCCCOCCNC1CCNC(=O)C1 2230a_100016994916_100000743108 [1,0,0,1,0,0|2,0,0]=4 13461 B15R1.106 CCCCOCCNC1CCNC(=O)C1 34a_100016994916_100000743108 [1,0,0,1,0,0|2,0,0]=4 13462 B15R1.106 CCCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000743108 [1,0,0,1,0,0|2,0,0]=4 13463 B15R1.106 CCCCOCOCC1CCNC(=O)C1 34a_100009886756_100011995733 [1,0,0,1,0,0|2,0,0]=4 13464 B15R1.106 CCCOCCOCC1CCNC(=O)C1 34a_100009886756_100011215938 [1,0,0,1,0,0|2,0,0]=4 13465 B15R1.106 CCOCCCOCC1CCNC(=O)C1 34a_100009886756_100012232248 [1,0,0,1,0,0|2,0,0]=4 13466 B15R1.106 COCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011998445 [1,0,0,1,0,0|2,0,0]=4 13467 B15R1.106 COCCCCOCC1CCNC(=O)C1 34a_100009886756_100000755781 [1,0,0,1,0,0|2,0,0]=4 13468 B15R1.106 O=C1CC(CCN1)COCCCCCF 34a_100009886756_100000729378 [1,0,0,1,0,0|2,0,0]=4 13469 B15R1.106 O=C1CC(CCN1)COCCCCCO 34a_100009886756_100000746330 [1,0,0,1,0,0|2,0,0]=4 13470 B15R1.106 O=C1CC(CCN1)NCCCCCCF 2230a_100016994916_100015922095 [1,0,0,1,0,0|2,0,0]=4 13471 B15R1.106 O=C1CC(CCN1)NCCCCCCF 34a_100016994916_100015922095 [1,0,0,1,0,0|2,0,0]=4 13472 B15R1.106 O=C1CC(CCN1)NCCCCCCO 2230a_100016994916_100000766143 [1,0,0,1,0,0|2,0,0]=4 13473 B15R1.106 O=C1CC(CCN1)NCCCCCCO 34a_100016994916_100000766143 [1,0,0,1,0,0|2,0,0]=4 13474 B15R1.106 O=C1CN(CCN1)CCCCCCCO 2230a_100000184651_100000760002 [1,0,0,1,0,0|2,0,0]=4 13475 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCF 34a_100015189427_100015922095 [1,0,0,1,0,0|2,0,0]=4 13476 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCO 34a_100015189427_100000766143 [1,0,0,1,0,0|2,0,0]=4 13477 B15R1.603 CCCC1CCCC1NCC(=O)NCC 270004a_100016988866_100000723119 [1,0,0,1,0,0|1,0,0]=3 13478 B15R1.603 CCNC(=O)CCN1CCC[C@H]1COC 2230a_100020646714_100000737597 [1,0,0,1,0,0|2,0,0]=4 13479 B15R1.603 CCNC(=O)CCN1CCC[C@H]1COC 269982a_100020646714_100000737597 [1,0,0,1,0,0|2,0,0]=4 13480 B15R1.768 CCC1CCCCC1OCC(=O)NCO 34a_100000210738_100000185155 [1,0,0,1,0,0|2,0,0]=4 13481 B15R1.768 CCC1CCCCC1OCC(=O)NCO 7a_100000210738_100000185155 [1,0,0,1,0,0|2,0,0]=4 13482 B15R1.768 CCCC(=O)COC1CCCCC1CC 7a_100000210738_100000747444 [1,0,0,1,0,0|2,0,0]=4 13483 B15R1.768 CCNC(=O)CCN1CCCCC1CC 2230a_100000210034_100000737597 [1,0,0,1,0,0|1,0,0]=3 13484 B15R1.768 CCNC(=O)CCN1CCCCC1CC 269982a_100000210034_100000737597 [1,0,0,1,0,0|1,0,0]=3 13485 B15R1.768 CCNC(=O)CCN1CCCCC1CO 2230a_100000210821_100000737597 [1,0,0,1,0,0|2,0,0]=4 13486 B15R1.768 CCNC(=O)CCN1CCCCC1CO 269982a_100000210821_100000737597 [1,0,0,1,0,0|2,0,0]=4 13487 B15R1.768 CCNC(=O)CCN1CCOC[C@@H]1CC 2230a_100016988097_100000737597 [1,0,0,1,0,0|2,0,0]=4 13488 B15R1.768 CCNC(=O)CCN1CCOC[C@@H]1CC 269982a_100016988097_100000737597 [1,0,0,1,0,0|2,0,0]=4 13489 B15R1.768 CCNC(=O)CNC1CCCCC1CC 270004a_100016988866_100000757040 [1,0,0,1,0,0|1,0,0]=3 13490 B15R1.768 CCNC(=O)CNC1CCCCC1CO 270004a_100016988866_100009861125 [1,0,0,1,0,0|2,0,0]=4 13491 B15R1.768 CCNC(=O)CNC1CCCCC1OC 270004a_100016988866_100000740605 [1,0,0,1,0,0|2,0,0]=4 13492 B15R1.768 CCNC(=O)CNC1CCCCC1OC 34a_100011208099_100000183381 [1,0,0,1,0,0|2,0,0]=4 13493 B15R1.768 CCNC(=O)COC1CCCCC1CC 34a_100000210738_100000183381 [1,0,0,1,0,0|1,0,0]=3 13494 B15R1.768 CCNC(=O)COC1CCCCC1CC 7a_100000210738_100000183381 [1,0,0,1,0,0|1,0,0]=3 13495 B15R1.768 CCNC(=O)COC1CCCCC1CN 34a_100011216029_100000183381 [1,0,0,1,0,0|2,0,0]=4 13496 B15R1.768 CCNC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000183381 [1,0,0,1,0,0|2,0,0]=4 13497 B15R1.768 CCNC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000183381 [1,0,0,1,0,0|2,0,0]=4 13498 B15R1.768 CCNC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000183381 [1,0,0,1,0,0|2,0,0]=4 13499 B15R1.768 CCNC(=O)NCC1CCCCN1CC 2708a_100000754393_100015525214 [1,0,0,1,0,0|2,0,0]=4 13500 B15R1.768 CCNC(=O)NCC1CCCCN1CC 2708a_100015525214_100000754393 [1,0,0,1,0,0|2,0,0]=4 13501 B15R1.768 CCNC(=O)NCC1CCCCN1CC 273464a_100000754393_100015525214 [1,0,0,1,0,0|2,0,0]=4 13502 B15R1.768 CCNC(=O)NCC1CCCCN1CC 273464a_100015525214_100000754393 [1,0,0,1,0,0|2,0,0]=4 13503 B15R1.768 CCNC(=O)NCC1CCCCN1CC 512a_100000754393_100015525214 [1,0,0,1,0,0|2,0,0]=4 13504 B15R1.768 CCNC(=O)NCC1CCCCN1CC 512a_100015525214_100000754393 [1,0,0,1,0,0|2,0,0]=4 13505 B15R1.768 CCOC(=O)CCN1CCCCC1CC 2230a_100000210034_100011206558 [1,0,0,1,0,0|2,0,0]=4 13506 B15R1.768 CCOC(=O)CCN1CCCCC1CC 269982a_100000210034_100011206558 [1,0,0,1,0,0|2,0,0]=4 13507 B15R1.768 CCOC(=O)CCN1CCCCC1CC 34a_100000210034_100000765890 [1,0,0,1,0,0|2,0,0]=4 13508 B15R1.768 CCOC(=O)COC1CCCCC1CC 34a_100000210738_100000188475 [1,0,0,1,0,0|2,0,0]=4 13509 B15R1.768 CCOC(=O)COC1CCCCC1CC 7a_100000210738_100000188475 [1,0,0,1,0,0|2,0,0]=4 13510 B15R1.778 CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210303 [1,0,0,1,0,0|1,0,0]=3 13511 B15R1.778 CCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100000210303 [1,0,0,1,0,0|2,0,0]=4 13512 B15R1.778 CCCC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747444 [1,0,0,1,0,0|2,0,0]=4 13513 B15R1.778 CCCC(=O)COCCC1CCCCC1 7a_100011217863_100000747444 [1,0,0,1,0,0|2,0,0]=4 13514 B15R1.778 CCCC(=O)CSCCC1CCCCC1 62a_100000747444_100012355289 [1,0,0,1,0,0|2,0,0]=4 13515 B15R1.778 CCCC(=O)CSCCC1CCCCC1 62a_100012355289_100000747444 [1,0,0,1,0,0|2,0,0]=4 13516 B15R1.778 CCCC(=O)NCCCC1CCCCC1 11a_100011211642_100000211992 [1,0,0,1,0,0|2,0,0]=4 13517 B15R1.778 CCCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000211992 [1,0,0,1,0,0|2,0,0]=4 13518 B15R1.778 CCCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000211992 [1,0,0,1,0,0|2,0,0]=4 13519 B15R1.778 CCCC(=O)NCCCC1CCCCC1 527a_100011211642_100000211992 [1,0,0,1,0,0|2,0,0]=4 13520 B15R1.778 CCNC(=O)CCCCC1CCCCC1 11a_100015525214_200011215547 [1,0,0,1,0,0|0,0,0]=2 13521 B15R1.778 CCNC(=O)CCCCC1CCCCC1 240690a_100015525214_200011215547 [1,0,0,1,0,0|0,0,0]=2 13522 B15R1.778 CCNC(=O)CCCCC1CCCCC1 527a_100015525214_200011215547 [1,0,0,1,0,0|0,0,0]=2 13523 B15R1.778 CCNC(=O)CCCCN1CCCCC1 11a_100015525214_100000754417 [1,0,0,1,0,0|1,0,0]=3 13524 B15R1.778 CCNC(=O)CCCCN1CCCCC1 240690a_100015525214_100000754417 [1,0,0,1,0,0|1,0,0]=3 13525 B15R1.778 CCNC(=O)CCNCC1CCCCC1 2230a_100000210473_100000737597 [1,0,0,1,0,0|1,0,0]=3 13526 B15R1.778 CCNC(=O)CCNCC1CCCCC1 269862a_100025743525_100000211278 [1,0,0,1,0,0|1,0,0]=3 13527 B15R1.778 CCNC(=O)CCNCC1CCCCC1 34a_100025743525_100000211423 [1,0,0,1,0,0|1,0,0]=3 13528 B15R1.778 CCNC(=O)CCNCC1CCCCO1 2230a_100000174945_100000737597 [1,0,0,1,0,0|2,0,0]=4 13529 B15R1.778 CCNC(=O)CCNCC1CCCCO1 34a_100025743525_100000211543 [1,0,0,1,0,0|2,0,0]=4 13530 B15R1.778 CCNC(=O)CCNCC1CCCOC1 2230a_100000720124_100000737597 [1,0,0,1,0,0|2,0,0]=4 13531 B15R1.778 CCNC(=O)CCNCC1CCCOC1 34a_100025743525_100000741521 [1,0,0,1,0,0|2,0,0]=4 13532 B15R1.778 CCNC(=O)CCNCC1CCOCC1 2230a_100000746373_100000737597 [1,0,0,1,0,0|2,0,0]=4 13533 B15R1.778 CCNC(=O)CCNCC1CCOCC1 269862a_100025743525_100000749017 [1,0,0,1,0,0|2,0,0]=4 13534 B15R1.778 CCNC(=O)CCNCC1CCOCC1 34a_100025743525_100000754603 [1,0,0,1,0,0|2,0,0]=4 13535 B15R1.778 CCNC(=O)CCNCC1CCSCC1 2230a_100015188806_100000737597 [1,0,0,1,0,0|2,0,0]=4 13536 B15R1.778 CCNC(=O)CCNCC1CCSCC1 269862a_100025743525_100000067145 [1,0,0,1,0,0|2,0,0]=4 13537 B15R1.778 CCNC(=O)CCNCC1CCSCC1 270004a_100025743525_100000067145 [1,0,0,1,0,0|2,0,0]=4 13538 B15R1.778 CCNC(=O)CCOCC1CCCCC1 7a_100000212181_100000737597 [1,0,0,1,0,0|1,0,0]=3 13539 B15R1.778 CCNC(=O)CCOCC1CCCCO1 7a_100000211370_100000737597 [1,0,0,1,0,0|2,0,0]=4 13540 B15R1.778 CCNC(=O)CCOCC1CCSCC1 7a_100000070558_100000737597 [1,0,0,1,0,0|2,0,0]=4 13541 B15R1.778 CCNC(=O)CCSCC1CCCCC1 62a_100000211423_100000737597 [1,0,0,1,0,0|1,0,0]=3 13542 B15R1.778 CCNC(=O)CCSCC1CCCCC1 62a_100000737597_100000211423 [1,0,0,1,0,0|1,0,0]=3 13543 B15R1.778 CCNC(=O)CCSCC1CCCCO1 62a_100000211543_100000737597 [1,0,0,1,0,0|2,0,0]=4 13544 B15R1.778 CCNC(=O)CCSCC1CCCCO1 62a_100000737597_100000211543 [1,0,0,1,0,0|2,0,0]=4 13545 B15R1.778 CCNC(=O)CCSCC1CCCOC1 62a_100000737597_100000741521 [1,0,0,1,0,0|2,0,0]=4 13546 B15R1.778 CCNC(=O)CCSCC1CCCOC1 62a_100000741521_100000737597 [1,0,0,1,0,0|2,0,0]=4 13547 B15R1.778 CCNC(=O)CCSCC1CCOCC1 62a_100000737597_100000749018 [1,0,0,1,0,0|2,0,0]=4 13548 B15R1.778 CCNC(=O)CCSCC1CCOCC1 62a_100000754603_100000737597 [1,0,0,1,0,0|2,0,0]=4 13549 B15R1.778 CCNC(=O)CNCCC1CCCCC1 2230a_100000738074_100000183381 [1,0,0,1,0,0|1,0,0]=3 13550 B15R1.778 CCNC(=O)CNCCC1CCCCC1 2230a_100016988866_100012355289 [1,0,0,1,0,0|1,0,0]=3 13551 B15R1.778 CCNC(=O)CNCCC1CCCCC1 270004a_100016988866_100011713444 [1,0,0,1,0,0|1,0,0]=3 13552 B15R1.778 CCNC(=O)CNCCC1CCCCC1 34a_100000738074_100000183381 [1,0,0,1,0,0|1,0,0]=3 13553 B15R1.778 CCNC(=O)CNCCC1CCCCO1 2230a_100015183643_100000183381 [1,0,0,1,0,0|2,0,0]=4 13554 B15R1.778 CCNC(=O)CNCCC1CCCCO1 34a_100015183643_100000183381 [1,0,0,1,0,0|2,0,0]=4 13555 B15R1.778 CCNC(=O)CNCCC1CCOCC1 2230a_100000755988_100000183381 [1,0,0,1,0,0|2,0,0]=4 13556 B15R1.778 CCNC(=O)CNCCC1CCOCC1 2230a_100016988866_100011934994 [1,0,0,1,0,0|2,0,0]=4 13557 B15R1.778 CCNC(=O)CNCCC1CCOCC1 34a_100000755988_100000183381 [1,0,0,1,0,0|2,0,0]=4 13558 B15R1.778 CCNC(=O)CNCCN1CCCCC1 2230a_100016988866_100000739454 [1,0,0,1,0,0|2,0,0]=4 13559 B15R1.778 CCNC(=O)CNCOC1CCCCC1 2230a_100016988866_100011935260 [1,0,0,1,0,0|2,0,0]=4 13560 B15R1.778 CCNC(=O)COCCC1CCCCC1 34a_100011217863_100000183381 [1,0,0,1,0,0|1,0,0]=3 13561 B15R1.778 CCNC(=O)COCCC1CCCCC1 7a_100011217863_100000183381 [1,0,0,1,0,0|1,0,0]=3 13562 B15R1.778 CCNC(=O)COCCC1CCCCN1 34a_100000211664_100000183381 [1,0,0,1,0,0|2,0,0]=4 13563 B15R1.778 CCNC(=O)COCCC1CCCNC1 34a_100000752241_100000183381 [1,0,0,1,0,0|2,0,0]=4 13564 B15R1.778 CCNC(=O)COCCC1CCNCC1 34a_100015190746_100000183381 [1,0,0,1,0,0|2,0,0]=4 13565 B15R1.778 CCNC(=O)COCCC1CCOCC1 34a_100011933979_100000183381 [1,0,0,1,0,0|2,0,0]=4 13566 B15R1.778 CCNC(=O)COCCC1CCOCC1 7a_100011933979_100000183381 [1,0,0,1,0,0|2,0,0]=4 13567 B15R1.778 CCNC(=O)CSCCC1CCCCC1 62a_100000183381_100012355289 [1,0,0,1,0,0|1,0,0]=3 13568 B15R1.778 CCNC(=O)CSCCC1CCCCC1 62a_100012355289_100000183381 [1,0,0,1,0,0|1,0,0]=3 13569 B15R1.778 CCNC(=O)CSCCC1CCOCC1 62a_100000183381_100011934994 [1,0,0,1,0,0|2,0,0]=4 13570 B15R1.778 CCNC(=O)CSCCC1CCOCC1 62a_100011934994_100000183381 [1,0,0,1,0,0|2,0,0]=4 13571 B15R1.778 CCNC(=O)CSCCN1CCCCC1 62a_100000183381_100000739454 [1,0,0,1,0,0|2,0,0]=4 13572 B15R1.778 CCNC(=O)CSCCN1CCCCC1 62a_100000739454_100000183381 [1,0,0,1,0,0|2,0,0]=4 13573 B15R1.778 CCNC(=O)CSCOC1CCCCC1 62a_100000183381_100011935260 [1,0,0,1,0,0|2,0,0]=4 13574 B15R1.778 CCNC(=O)CSCOC1CCCCC1 62a_100011935260_100000183381 [1,0,0,1,0,0|2,0,0]=4 13575 B15R1.778 CCNC(=O)NCCCC1CCCCC1 2708a_100011211642_100015525214 [1,0,0,1,0,0|1,0,0]=3 13576 B15R1.778 CCNC(=O)NCCCC1CCCCC1 2708a_100015525214_100011211642 [1,0,0,1,0,0|1,0,0]=3 13577 B15R1.778 CCNC(=O)NCCCC1CCCCC1 273464a_100011211642_100015525214 [1,0,0,1,0,0|1,0,0]=3 13578 B15R1.778 CCNC(=O)NCCCC1CCCCC1 273464a_100015525214_100011211642 [1,0,0,1,0,0|1,0,0]=3 13579 B15R1.778 CCNC(=O)NCCCC1CCCCC1 512a_100011211642_100015525214 [1,0,0,1,0,0|1,0,0]=3 13580 B15R1.778 CCNC(=O)NCCCC1CCCCC1 512a_100015525214_100011211642 [1,0,0,1,0,0|1,0,0]=3 13581 B15R1.778 CCNC(=O)NCCCN1CCCCC1 2708a_100000204581_100015525214 [1,0,0,1,0,0|2,0,0]=4 13582 B15R1.778 CCNC(=O)NCCCN1CCCCC1 2708a_100015525214_100000204581 [1,0,0,1,0,0|2,0,0]=4 13583 B15R1.778 CCNC(=O)NCCCN1CCCCC1 273464a_100000204581_100015525214 [1,0,0,1,0,0|2,0,0]=4 13584 B15R1.778 CCNC(=O)NCCCN1CCCCC1 273464a_100015525214_100000204581 [1,0,0,1,0,0|2,0,0]=4 13585 B15R1.778 CCNC(=O)NCCOC1CCCCC1 2708a_100015206981_100015525214 [1,0,0,1,0,0|2,0,0]=4 13586 B15R1.778 CCNC(=O)NCCOC1CCCCC1 2708a_100015525214_100015206981 [1,0,0,1,0,0|2,0,0]=4 13587 B15R1.778 CCNC(=O)NCCOC1CCCCC1 273464a_100015206981_100015525214 [1,0,0,1,0,0|2,0,0]=4 13588 B15R1.778 CCNC(=O)NCCOC1CCCCC1 273464a_100015525214_100015206981 [1,0,0,1,0,0|2,0,0]=4 13589 B15R1.778 CCNC(=O)NCCOC1CCCCC1 512a_100015206981_100015525214 [1,0,0,1,0,0|2,0,0]=4 13590 B15R1.778 CCNC(=O)NCCOC1CCCCC1 512a_100015525214_100015206981 [1,0,0,1,0,0|2,0,0]=4 13591 B15R1.778 CCOC(=O)CCCNC1CCCCC1 2230a_100000182618_100009991533 [1,0,0,1,0,0|2,0,0]=4 13592 B15R1.778 CCOC(=O)CCCNC1CCCCC1 34a_100000182618_100009991533 [1,0,0,1,0,0|2,0,0]=4 13593 B15R1.778 CCOC(=O)CCCOC1CCCCC1 34a_100000210231_100009991533 [1,0,0,1,0,0|2,0,0]=4 13594 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100000210231_100011215271 [1,0,0,1,0,0|2,0,0]=4 13595 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100012001163_100000210327 [1,0,0,1,0,0|2,0,0]=4 13596 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100000210327_100009991533 [1,0,0,1,0,0|2,0,0]=4 13597 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100009991533_100000210327 [1,0,0,1,0,0|2,0,0]=4 13598 B15R1.778 CCOC(=O)CCNCC1CCCCC1 2230a_100000210473_100011206558 [1,0,0,1,0,0|2,0,0]=4 13599 B15R1.778 CCOC(=O)CCNCC1CCCCC1 34a_100000210473_100000765890 [1,0,0,1,0,0|2,0,0]=4 13600 B15R1.778 CCOC(=O)CCOCC1CCCCC1 34a_100000212181_100000765890 [1,0,0,1,0,0|2,0,0]=4 13601 B15R1.778 CCOC(=O)CCOCC1CCCCC1 7a_100000212181_100011206558 [1,0,0,1,0,0|2,0,0]=4 13602 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000211423_100000765890 [1,0,0,1,0,0|2,0,0]=4 13603 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000765890_100000211423 [1,0,0,1,0,0|2,0,0]=4 13604 B15R1.778 CCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000188475 [1,0,0,1,0,0|2,0,0]=4 13605 B15R1.778 CCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000188475 [1,0,0,1,0,0|2,0,0]=4 13606 B15R1.778 CCOC(=O)COCCC1CCCCC1 34a_100011217863_100000188475 [1,0,0,1,0,0|2,0,0]=4 13607 B15R1.778 CCOC(=O)COCCC1CCCCC1 7a_100011217863_100000188475 [1,0,0,1,0,0|2,0,0]=4 13608 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100000188475_100012355289 [1,0,0,1,0,0|2,0,0]=4 13609 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000188475 [1,0,0,1,0,0|2,0,0]=4 13610 B15R1.778 CNNC(=O)CCCCC1CCCCC1 22a_100016993582_200011215547 [1,0,0,1,0,0|1,0,0]=3 13611 B15R1.778 CNNC(=O)CCCCN1CCCCC1 22a_100016993582_100000754417 [1,0,0,1,0,0|2,0,0]=4 13612 B15R1.778 CNNC(=O)NCCCC1CCCCC1 273464a_100011211642_100016993582 [1,0,0,1,0,0|2,0,0]=4 13613 B15R1.778 CNNC(=O)NCCCC1CCCCC1 512a_100011211642_100016993582 [1,0,0,1,0,0|2,0,0]=4 13614 B15R1.778 CNNC(=O)NCCCC1CCCCC1 512a_100016993582_100011211642 [1,0,0,1,0,0|2,0,0]=4 13615 B15R1.778 O=C(CCF)CCCCC1CCCCC1 1458a_200011215547_100011217306 [1,0,0,1,0,0|2,0,0]=4 13616 B15R1.778 O=C(CCO)CCCCC1CCCCC1 1458a_200011215547_100000211926 [1,0,0,1,0,0|2,0,0]=4 13617 B15R1.778 O=C(CNCCC1CCCCC1)NCO 2230a_100000738074_100000185155 [1,0,0,1,0,0|2,0,0]=4 13618 B15R1.778 O=C(CNCCC1CCCCC1)NCO 34a_100000738074_100000185155 [1,0,0,1,0,0|2,0,0]=4 13619 B15R1.778 O=C(COCCC1CCCCC1)NCO 34a_100011217863_100000185155 [1,0,0,1,0,0|2,0,0]=4 13620 B15R1.778 O=C(COCCC1CCCCC1)NCO 7a_100011217863_100000185155 [1,0,0,1,0,0|2,0,0]=4 13621 B15R1.778 O=C(CSCCC1CCCCC1)NCO 62a_100000185155_100012355289 [1,0,0,1,0,0|2,0,0]=4 13622 B15R1.778 O=C(CSCCC1CCCCC1)NCO 62a_100012355289_100000185155 [1,0,0,1,0,0|2,0,0]=4 13623 B15R1.795 CCCC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747444 [1,0,0,1,0,0|2,0,0]=4 13624 B15R1.795 CCCC(=O)COCCCC1CCCC1 7a_100011215328_100000747444 [1,0,0,1,0,0|2,0,0]=4 13625 B15R1.795 CCCC(=O)CSCCCC1CCCC1 62a_100000747444_100011713738 [1,0,0,1,0,0|2,0,0]=4 13626 B15R1.795 CCCC(=O)CSCCCC1CCCC1 62a_100011713738_100000747444 [1,0,0,1,0,0|2,0,0]=4 13627 B15R1.795 CCNC(=O)CCNCCC1CCCC1 2230a_100000739158_100000737597 [1,0,0,1,0,0|1,0,0]=3 13628 B15R1.795 CCNC(=O)CCNCCC1CCCC1 34a_100025743525_100000760354 [1,0,0,1,0,0|1,0,0]=3 13629 B15R1.795 CCNC(=O)CCOCCC1CCCC1 7a_100000749090_100000737597 [1,0,0,1,0,0|1,0,0]=3 13630 B15R1.795 CCNC(=O)CCSCCC1CCCC1 62a_100000737597_100000760354 [1,0,0,1,0,0|1,0,0]=3 13631 B15R1.795 CCNC(=O)CCSCCC1CCCC1 62a_100000760354_100000737597 [1,0,0,1,0,0|1,0,0]=3 13632 B15R1.795 CCNC(=O)CCSCCN1CCCC1 62a_100000700749_100000737597 [1,0,0,1,0,0|2,0,0]=4 13633 B15R1.795 CCNC(=O)CCSCCN1CCCC1 62a_100000737597_100000004467 [1,0,0,1,0,0|2,0,0]=4 13634 B15R1.795 CCNC(=O)CNCCCC1CCCC1 2230a_100000736752_100000183381 [1,0,0,1,0,0|1,0,0]=3 13635 B15R1.795 CCNC(=O)CNCCCC1CCCC1 2230a_100016988866_100011713738 [1,0,0,1,0,0|1,0,0]=3 13636 B15R1.795 CCNC(=O)CNCCCC1CCCC1 34a_100000736752_100000183381 [1,0,0,1,0,0|1,0,0]=3 13637 B15R1.795 CCNC(=O)CNCCCN1CCCC1 2230a_100016988866_100011445909 [1,0,0,1,0,0|2,0,0]=4 13638 B15R1.795 CCNC(=O)CNCCOC1CCCC1 34a_100000741755_100000183381 [1,0,0,1,0,0|2,0,0]=4 13639 B15R1.795 CCNC(=O)COCCCC1CCCC1 34a_100011215328_100000183381 [1,0,0,1,0,0|1,0,0]=3 13640 B15R1.795 CCNC(=O)COCCCC1CCCC1 7a_100011215328_100000183381 [1,0,0,1,0,0|1,0,0]=3 13641 B15R1.795 CCNC(=O)COCCNC1CCCC1 34a_200000200444_100000183381 [1,0,0,1,0,0|2,0,0]=4 13642 B15R1.795 CCNC(=O)COCCOC1CCCC1 34a_100000738311_100000183381 [1,0,0,1,0,0|2,0,0]=4 13643 B15R1.795 CCNC(=O)COCCOC1CCCC1 7a_100000738311_100000183381 [1,0,0,1,0,0|2,0,0]=4 13644 B15R1.795 CCNC(=O)CSCCCC1CCCC1 62a_100000183381_100011713738 [1,0,0,1,0,0|1,0,0]=3 13645 B15R1.795 CCNC(=O)CSCCCC1CCCC1 62a_100011713738_100000183381 [1,0,0,1,0,0|1,0,0]=3 13646 B15R1.795 CCNC(=O)CSCCCN1CCCC1 62a_100000183381_100011445909 [1,0,0,1,0,0|2,0,0]=4 13647 B15R1.795 CCNC(=O)CSCCCN1CCCC1 62a_100016991639_100000183381 [1,0,0,1,0,0|2,0,0]=4 13648 B15R1.795 CCNC(=O)NCCCCN1CCCC1 2708a_100000740493_100015525214 [1,0,0,1,0,0|2,0,0]=4 13649 B15R1.795 CCNC(=O)NCCCCN1CCCC1 2708a_100015525214_100000740493 [1,0,0,1,0,0|2,0,0]=4 13650 B15R1.795 CCNC(=O)NCCCCN1CCCC1 273464a_100000740493_100015525214 [1,0,0,1,0,0|2,0,0]=4 13651 B15R1.795 CCNC(=O)NCCCCN1CCCC1 273464a_100015525214_100000740493 [1,0,0,1,0,0|2,0,0]=4 13652 B15R1.795 CCNC(=O)NCCCCN1CCCC1 512a_100000740493_100015525214 [1,0,0,1,0,0|2,0,0]=4 13653 B15R1.795 CCNC(=O)NCCCCN1CCCC1 512a_100015525214_100000740493 [1,0,0,1,0,0|2,0,0]=4 13654 B15R1.795 CCNC(=O)NCCCOC1CCCC1 2708a_100000747560_100015525214 [1,0,0,1,0,0|2,0,0]=4 13655 B15R1.795 CCNC(=O)NCCCOC1CCCC1 2708a_100015525214_100000747560 [1,0,0,1,0,0|2,0,0]=4 13656 B15R1.795 CCNC(=O)NCCCOC1CCCC1 273464a_100000747560_100015525214 [1,0,0,1,0,0|2,0,0]=4 13657 B15R1.795 CCNC(=O)NCCCOC1CCCC1 273464a_100015525214_100000747560 [1,0,0,1,0,0|2,0,0]=4 13658 B15R1.795 CCNC(=O)NCCCOC1CCCC1 512a_100000747560_100015525214 [1,0,0,1,0,0|2,0,0]=4 13659 B15R1.795 CCNC(=O)NCCCOC1CCCC1 512a_100015525214_100000747560 [1,0,0,1,0,0|2,0,0]=4 13660 B15R1.795 CCOC(=O)CCCCCN1CCCC1 2230a_100000188435_100000755133 [1,0,0,1,0,0|2,0,0]=4 13661 B15R1.795 CCOC(=O)CCCCCN1CCCC1 269982a_100000188435_100000755133 [1,0,0,1,0,0|2,0,0]=4 13662 B15R1.795 CCOC(=O)CCCCNC1CCCC1 2230a_100000211070_100000750268 [1,0,0,1,0,0|2,0,0]=4 13663 B15R1.795 CCOC(=O)CCCCNC1CCCC1 34a_100000211070_100000750268 [1,0,0,1,0,0|2,0,0]=4 13664 B15R1.795 CCOC(=O)CCCCOC1CCCC1 34a_100000210269_100000750268 [1,0,0,1,0,0|2,0,0]=4 13665 B15R1.795 CCOC(=O)CCCCOC1CCCC1 7a_100000210269_100000750268 [1,0,0,1,0,0|2,0,0]=4 13666 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100000750268_100000179811 [1,0,0,1,0,0|2,0,0]=4 13667 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100011217020_100000750268 [1,0,0,1,0,0|2,0,0]=4 13668 B15R1.795 CCOC(=O)CCCNCC1CCCC1 2230a_100000737975_100009991533 [1,0,0,1,0,0|2,0,0]=4 13669 B15R1.795 CCOC(=O)CCCNCC1CCCC1 34a_100000737975_100009991533 [1,0,0,1,0,0|2,0,0]=4 13670 B15R1.795 CCOC(=O)CCCOCC1CCCC1 34a_100000742336_100009991533 [1,0,0,1,0,0|2,0,0]=4 13671 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100000742336_100011215271 [1,0,0,1,0,0|2,0,0]=4 13672 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100012001163_100000740388 [1,0,0,1,0,0|2,0,0]=4 13673 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100000740388_100009991533 [1,0,0,1,0,0|2,0,0]=4 13674 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100009991533_100000740388 [1,0,0,1,0,0|2,0,0]=4 13675 B15R1.795 CCOC(=O)CCNCCC1CCCC1 2230a_100000739158_100011206558 [1,0,0,1,0,0|2,0,0]=4 13676 B15R1.795 CCOC(=O)CCNCCC1CCCC1 34a_100000739158_100000765890 [1,0,0,1,0,0|2,0,0]=4 13677 B15R1.795 CCOC(=O)CCOCCC1CCCC1 34a_100000749090_100000765890 [1,0,0,1,0,0|2,0,0]=4 13678 B15R1.795 CCOC(=O)CCOCCC1CCCC1 7a_100000749090_100011206558 [1,0,0,1,0,0|2,0,0]=4 13679 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000760354_100000765890 [1,0,0,1,0,0|2,0,0]=4 13680 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000765890_100000760354 [1,0,0,1,0,0|2,0,0]=4 13681 B15R1.795 CCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000188475 [1,0,0,1,0,0|2,0,0]=4 13682 B15R1.795 CCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000188475 [1,0,0,1,0,0|2,0,0]=4 13683 B15R1.795 CCOC(=O)COCCCC1CCCC1 34a_100011215328_100000188475 [1,0,0,1,0,0|2,0,0]=4 13684 B15R1.795 CCOC(=O)COCCCC1CCCC1 7a_100011215328_100000188475 [1,0,0,1,0,0|2,0,0]=4 13685 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100000188475_100011713738 [1,0,0,1,0,0|2,0,0]=4 13686 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000188475 [1,0,0,1,0,0|2,0,0]=4 13687 B15R1.795 O=C(CNCCCC1CCCC1)NCO 2230a_100000736752_100000185155 [1,0,0,1,0,0|2,0,0]=4 13688 B15R1.795 O=C(CNCCCC1CCCC1)NCO 34a_100000736752_100000185155 [1,0,0,1,0,0|2,0,0]=4 13689 B15R1.795 O=C(COCCCC1CCCC1)NCO 34a_100011215328_100000185155 [1,0,0,1,0,0|2,0,0]=4 13690 B15R1.795 O=C(COCCCC1CCCC1)NCO 7a_100011215328_100000185155 [1,0,0,1,0,0|2,0,0]=4 13691 B15R1.795 O=C(CSCCCC1CCCC1)NCO 62a_100000185155_100011713738 [1,0,0,1,0,0|2,0,0]=4 13692 B15R1.795 O=C(CSCCCC1CCCC1)NCO 62a_100011713738_100000185155 [1,0,0,1,0,0|2,0,0]=4 13693 B15R1.804 CCNC(=O)CCNC1CCCC1CC 269862a_100025743525_100000749056 [1,0,0,1,0,0|1,0,0]=3 13694 B15R1.804 CCNC(=O)CCNC1CCCC1CC 270004a_100025743525_100000749056 [1,0,0,1,0,0|1,0,0]=3 13695 B15R1.804 CCNC(=O)CNCC1CCCN1CC 2230a_100000211693_100000183381 [1,0,0,1,0,0|2,0,0]=4 13696 B15R1.804 CCNC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000183381 [1,0,0,1,0,0|2,0,0]=4 13697 B15R1.804 CCNC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000183381 [1,0,0,1,0,0|2,0,0]=4 13698 B15R1.804 CCOC(=O)CCCN1CCCC1CC 2230a_100000754278_100009991533 [1,0,0,1,0,0|2,0,0]=4 13699 B15R1.804 CCOC(=O)CCCN1CCCC1CC 269982a_100000754278_100009991533 [1,0,0,1,0,0|2,0,0]=4 13700 B15R1.804 CCOC(=O)CCCN1CCCC1CC 34a_100000754278_100009991533 [1,0,0,1,0,0|2,0,0]=4 13701 B15R1.843 CCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210211 [1,0,0,1,0,0|2,0,0]=4 13702 B15R1.843 CCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210211 [1,0,0,1,0,0|2,0,0]=4 13703 B15R1.843 CCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210303 [1,0,0,1,0,0|2,0,0]=4 13704 B15R1.843 CCNC(=O)N1CCCCC1CCCO 2708a_100015525214_100011934581 [1,0,0,1,0,0|2,0,0]=4 13705 B15R1.843 CCNC(=O)N1CCCCC1CCCO 273464a_100015525214_100011934581 [1,0,0,1,0,0|2,0,0]=4 13706 B15R1.843 CCNC(=O)N1CCCCC1CCOC 2708a_100015525214_100015186528 [1,0,0,1,0,0|2,0,0]=4 13707 B15R1.843 CCNC(=O)N1CCCCC1CCOC 273464a_100015525214_100015186528 [1,0,0,1,0,0|2,0,0]=4 13708 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 2230a_100000211402_100000737597 [1,0,0,1,0,0|1,0,0]=3 13709 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 269862a_100025743525_100000210921 [1,0,0,1,0,0|1,0,0]=3 13710 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 270004a_100025743525_100000210921 [1,0,0,1,0,0|1,0,0]=3 13711 B15R1.1252 CCNC(=O)CCNC1CCCCC1F 34a_100025743525_100015423560 [1,0,0,1,0,0|2,0,0]=4 13712 B15R1.1252 CCNC(=O)CCNC1CCCCC1O 34a_100025743525_100000038908 [1,0,0,1,0,0|2,0,0]=4 13713 B15R1.1252 CCNC(=O)CCNC1CCNCC1C 270004a_100025743525_100000703950 [1,0,0,1,0,0|2,0,0]=4 13714 B15R1.1252 CCNC(=O)CCNC1CCOCC1C 270004a_100025743525_100000755695 [1,0,0,1,0,0|2,0,0]=4 13715 B15R1.1252 CCNC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000737597 [1,0,0,1,0,0|2,0,0]=4 13716 B15R1.1252 CCNC(=O)CCOC1CCCCC1C 7a_100000211207_100000737597 [1,0,0,1,0,0|1,0,0]=3 13717 B15R1.1252 CCNC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000737597 [1,0,0,1,0,0|2,0,0]=4 13718 B15R1.1252 CCNC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000737597 [1,0,0,1,0,0|2,0,0]=4 13719 B15R1.1252 CCNC(=O)CCSC1CCCCC1F 62a_100000737597_100015423560 [1,0,0,1,0,0|2,0,0]=4 13720 B15R1.1252 CCNC(=O)CCSC1CCCCC1F 62a_100015423560_100000737597 [1,0,0,1,0,0|2,0,0]=4 13721 B15R1.1252 CCNC(=O)CCSC1CCCCC1O 62a_100000038908_100000737597 [1,0,0,1,0,0|2,0,0]=4 13722 B15R1.1252 CCNC(=O)CCSC1CCCCC1O 62a_100000737597_100000038908 [1,0,0,1,0,0|2,0,0]=4 13723 B15R1.1252 CCNC(=O)CNCC1CCCCC1O 34a_100011216029_100000183381 [1,0,0,1,0,0|2,0,0]=4 13724 B15R1.1252 CCNC(=O)CNCC1CCCCN1C 34a_100011228421_100000183381 [1,0,0,1,0,0|2,0,0]=4 13725 B15R1.1252 CCNC(=O)COCC1CCCCN1C 34a_100000225079_100000183381 [1,0,0,1,0,0|2,0,0]=4 13726 B15R1.1252 CCNC(=O)CSCC1CCCCN1C 62a_100000183381_100015185383 [1,0,0,1,0,0|2,0,0]=4 13727 B15R1.1252 CCNC(=O)CSCC1CCCCN1C 62a_100015185383_100000183381 [1,0,0,1,0,0|2,0,0]=4 13728 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 2708a_100015525214_100000739827 [1,0,0,1,0,0|2,0,0]=4 13729 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 273464a_100000739827_100015525214 [1,0,0,1,0,0|2,0,0]=4 13730 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 273464a_100015525214_100000739827 [1,0,0,1,0,0|2,0,0]=4 13731 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 512a_100000739827_100015525214 [1,0,0,1,0,0|2,0,0]=4 13732 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 512a_100015525214_100000739827 [1,0,0,1,0,0|2,0,0]=4 13733 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 2230a_100000211376_100009991533 [1,0,0,1,0,0|2,0,0]=4 13734 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 269982a_100000211376_100009991533 [1,0,0,1,0,0|2,0,0]=4 13735 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 34a_100000211376_100009991533 [1,0,0,1,0,0|2,0,0]=4 13736 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 2230a_100000211402_100011206558 [1,0,0,1,0,0|2,0,0]=4 13737 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 34a_100000211402_100000765890 [1,0,0,1,0,0|2,0,0]=4 13738 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 34a_100000211207_100000765890 [1,0,0,1,0,0|2,0,0]=4 13739 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 7a_100000211207_100011206558 [1,0,0,1,0,0|2,0,0]=4 13740 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 34a_100000744939_100000750268 [1,0,0,1,0,0|2,0,0]=4 13741 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 7a_100000744939_100000750268 [1,0,0,1,0,0|2,0,0]=4 13742 B15R1.1264 CCOC(=O)CCCCCCN1CCC1 269982a_100000754969_100009814379 [1,0,0,1,0,0|2,0,0]=4 13743 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 2230a_100000749019_100000755133 [1,0,0,1,0,0|2,0,0]=4 13744 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 34a_100000749019_100000755133 [1,0,0,1,0,0|2,0,0]=4 13745 B15R1.1264 CCOC(=O)CCCCCOC1CCC1 34a_100000748187_100000755133 [1,0,0,1,0,0|2,0,0]=4 13746 B15R1.1264 CCOC(=O)CCCCCSC1CCC1 62a_100000755133_100000749161 [1,0,0,1,0,0|2,0,0]=4 13747 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 2230a_100000738700_100000750268 [1,0,0,1,0,0|2,0,0]=4 13748 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 34a_100000738700_100000750268 [1,0,0,1,0,0|2,0,0]=4 13749 B15R1.1264 CCOC(=O)CCCCOCC1CCC1 34a_100000760304_100000750268 [1,0,0,1,0,0|2,0,0]=4 13750 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000750268_100000763275 [1,0,0,1,0,0|2,0,0]=4 13751 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000763275_100000750268 [1,0,0,1,0,0|2,0,0]=4 13752 B15R1.2461 CCCC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747444 [1,0,0,1,0,0|2,0,0]=4 13753 B15R1.2461 CCCC(=O)COCC1CCCCCC1 7a_100000699130_100000747444 [1,0,0,1,0,0|2,0,0]=4 13754 B15R1.2461 CCCC(=O)CSCC1CCCCCC1 62a_100000747444_200000696569 [1,0,0,1,0,0|2,0,0]=4 13755 B15R1.2461 CCCC(=O)CSCC1CCCCCC1 62a_200000696569_100000747444 [1,0,0,1,0,0|2,0,0]=4 13756 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 11a_100011532351_100000211992 [1,0,0,1,0,0|2,0,0]=4 13757 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000211992 [1,0,0,1,0,0|2,0,0]=4 13758 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000211992 [1,0,0,1,0,0|2,0,0]=4 13759 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 527a_100011532351_100000211992 [1,0,0,1,0,0|2,0,0]=4 13760 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 2230a_100000210984_100000737597 [1,0,0,1,0,0|1,0,0]=3 13761 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 270004a_100025743525_100000210131 [1,0,0,1,0,0|1,0,0]=3 13762 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 34a_100025743525_100011217769 [1,0,0,1,0,0|1,0,0]=3 13763 B15R1.2461 CCNC(=O)CCNC1CCCNCC1 270004a_100025743525_100015187895 [1,0,0,1,0,0|2,0,0]=4 13764 B15R1.2461 CCNC(=O)CCOC1CCCCCC1 7a_100000210887_100000737597 [1,0,0,1,0,0|1,0,0]=3 13765 B15R1.2461 CCNC(=O)CCSC1CCCCCC1 62a_100000737597_100011217769 [1,0,0,1,0,0|1,0,0]=3 13766 B15R1.2461 CCNC(=O)CCSC1CCCCCC1 62a_100011217769_100000737597 [1,0,0,1,0,0|1,0,0]=3 13767 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 2230a_100015204231_100000183381 [1,0,0,1,0,0|1,0,0]=3 13768 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 2230a_100016988866_200000696569 [1,0,0,1,0,0|1,0,0]=3 13769 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 34a_100015204231_100000183381 [1,0,0,1,0,0|1,0,0]=3 13770 B15R1.2461 CCNC(=O)COCC1CCCCCC1 34a_100000699130_100000183381 [1,0,0,1,0,0|1,0,0]=3 13771 B15R1.2461 CCNC(=O)COCC1CCCCCC1 7a_100000699130_100000183381 [1,0,0,1,0,0|1,0,0]=3 13772 B15R1.2461 CCNC(=O)CSCC1CCCCCC1 62a_100000183381_200000696569 [1,0,0,1,0,0|1,0,0]=3 13773 B15R1.2461 CCNC(=O)CSCC1CCCCCC1 62a_200000696569_100000183381 [1,0,0,1,0,0|1,0,0]=3 13774 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 2708a_100011532351_100015525214 [1,0,0,1,0,0|1,0,0]=3 13775 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 2708a_100015525214_100011532351 [1,0,0,1,0,0|1,0,0]=3 13776 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 273464a_100011532351_100015525214 [1,0,0,1,0,0|1,0,0]=3 13777 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 273464a_100015525214_100011532351 [1,0,0,1,0,0|1,0,0]=3 13778 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 512a_100015525214_100011532351 [1,0,0,1,0,0|1,0,0]=3 13779 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 2708a_100015525214_100000738142 [1,0,0,1,0,0|2,0,0]=4 13780 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 273464a_100000738142_100015525214 [1,0,0,1,0,0|2,0,0]=4 13781 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 273464a_100015525214_100000738142 [1,0,0,1,0,0|2,0,0]=4 13782 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 512a_100000738142_100015525214 [1,0,0,1,0,0|2,0,0]=4 13783 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 2230a_100000185865_100009991533 [1,0,0,1,0,0|2,0,0]=4 13784 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 269982a_100000185865_100009991533 [1,0,0,1,0,0|2,0,0]=4 13785 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 34a_100000185865_100009991533 [1,0,0,1,0,0|2,0,0]=4 13786 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 2230a_100000210984_100011206558 [1,0,0,1,0,0|2,0,0]=4 13787 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 34a_100000210984_100000765890 [1,0,0,1,0,0|2,0,0]=4 13788 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 34a_100000210887_100000765890 [1,0,0,1,0,0|2,0,0]=4 13789 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 7a_100000210887_100011206558 [1,0,0,1,0,0|2,0,0]=4 13790 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100000765890_100011217769 [1,0,0,1,0,0|2,0,0]=4 13791 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100011217769_100000765890 [1,0,0,1,0,0|2,0,0]=4 13792 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000188475 [1,0,0,1,0,0|2,0,0]=4 13793 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000188475 [1,0,0,1,0,0|2,0,0]=4 13794 B15R1.2461 CCOC(=O)COCC1CCCCCC1 34a_100000699130_100000188475 [1,0,0,1,0,0|2,0,0]=4 13795 B15R1.2461 CCOC(=O)COCC1CCCCCC1 7a_100000699130_100000188475 [1,0,0,1,0,0|2,0,0]=4 13796 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_100000188475_200000696569 [1,0,0,1,0,0|2,0,0]=4 13797 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000188475 [1,0,0,1,0,0|2,0,0]=4 13798 B15R1.2461 CNNC(=O)NCCC1CCCCCC1 273464a_100011532351_100016993582 [1,0,0,1,0,0|2,0,0]=4 13799 B15R1.2461 CNNC(=O)NCCC1CCCCCC1 512a_100016993582_100011532351 [1,0,0,1,0,0|2,0,0]=4 13800 B15R1.2461 O=C(CNCC1CCCCCC1)NCO 2230a_100015204231_100000185155 [1,0,0,1,0,0|2,0,0]=4 13801 B15R1.2461 O=C(CNCC1CCCCCC1)NCO 34a_100015204231_100000185155 [1,0,0,1,0,0|2,0,0]=4 13802 B15R1.2461 O=C(COCC1CCCCCC1)NCO 34a_100000699130_100000185155 [1,0,0,1,0,0|2,0,0]=4 13803 B15R1.2461 O=C(COCC1CCCCCC1)NCO 7a_100000699130_100000185155 [1,0,0,1,0,0|2,0,0]=4 13804 B15R1.2461 O=C(CSCC1CCCCCC1)NCO 62a_100000185155_200000696569 [1,0,0,1,0,0|2,0,0]=4 13805 B15R1.2461 O=C(CSCC1CCCCCC1)NCO 62a_200000696569_100000185155 [1,0,0,1,0,0|2,0,0]=4 13806 B15R1.3857 CCNC(=O)CNCCC1CCCN1C 2230a_100016988866_100000005710 [1,0,0,1,0,0|2,0,0]=4 13807 B15R1.3857 CCNC(=O)COCCC1CCCN1C 34a_100011215177_100000183381 [1,0,0,1,0,0|2,0,0]=4 13808 B15R1.3857 CCNC(=O)COCCC1CCCN1C 7a_100011215177_100000183381 [1,0,0,1,0,0|2,0,0]=4 13809 B15R1.3857 CCNC(=O)CSCCC1CCCN1C 62a_100000005710_100000183381 [1,0,0,1,0,0|2,0,0]=4 13810 B15R1.3857 CCNC(=O)CSCCC1CCCN1C 62a_100000183381_100000005710 [1,0,0,1,0,0|2,0,0]=4 13811 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000750268 [1,0,0,1,0,0|2,0,0]=4 13812 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000750268 [1,0,0,1,0,0|2,0,0]=4 13813 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000750268 [1,0,0,1,0,0|2,0,0]=4 13814 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000750268 [1,0,0,1,0,0|2,0,0]=4 13815 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000750268 [1,0,0,1,0,0|2,0,0]=4 13816 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 34a_100011216460_100009991533 [1,0,0,1,0,0|2,0,0]=4 13817 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 7a_100011216460_100011215271 [1,0,0,1,0,0|2,0,0]=4 13818 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 269982a_100000755817_100000755133 [1,0,0,1,0,0|2,0,0]=4 13819 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 34a_100000755817_100000755133 [1,0,0,1,0,0|2,0,0]=4 13820 B15R1.3880 CCCC(=O)CN1CCCCC1CCC 2230a_100000701414_100000747444 [1,0,0,1,0,0|2,0,0]=4 13821 B15R1.3880 CCCC(=O)CN1CCCCC1CCC 269982a_100000701414_100000747444 [1,0,0,1,0,0|2,0,0]=4 13822 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 2230a_100000701414_100000183381 [1,0,0,1,0,0|1,0,0]=3 13823 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 269982a_100000701414_100000183381 [1,0,0,1,0,0|1,0,0]=3 13824 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 34a_100000701414_100000183381 [1,0,0,1,0,0|1,0,0]=3 13825 B15R1.3880 CCCC1CCCCN1CC(=O)NCO 2230a_100000701414_100000185155 [1,0,0,1,0,0|2,0,0]=4 13826 B15R1.3880 CCCC1CCCCN1CC(=O)NCO 269982a_100000701414_100000185155 [1,0,0,1,0,0|2,0,0]=4 13827 B15R1.3880 CCCC1CCCCN1CC(=O)NCO 34a_100000701414_100000185155 [1,0,0,1,0,0|2,0,0]=4 13828 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 2230a_100000701414_100000188475 [1,0,0,1,0,0|2,0,0]=4 13829 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 269982a_100000701414_100000188475 [1,0,0,1,0,0|2,0,0]=4 13830 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 34a_100000701414_100000188475 [1,0,0,1,0,0|2,0,0]=4 13831 B15R1.3880 CCCC1COCCN1CC(=O)NCC 2230a_102495339903_100000183381 [1,0,0,1,0,0|2,0,0]=4 13832 B15R1.3880 CCCC1COCCN1CC(=O)NCC 269982a_102495339903_100000183381 [1,0,0,1,0,0|2,0,0]=4 13833 B15R1.3880 CCCC1COCCN1CC(=O)NCC 34a_102495339903_100000183381 [1,0,0,1,0,0|2,0,0]=4 13834 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210303 [1,0,0,1,0,0|2,0,0]=4 13835 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210303 [1,0,0,1,0,0|2,0,0]=4 13836 B15R1.3880 CCNC(=O)CN1CCCCC1CCO 2230a_100000211664_100000183381 [1,0,0,1,0,0|2,0,0]=4 13837 B15R1.3880 CCNC(=O)CN1CCCCC1CCO 269982a_100000211664_100000183381 [1,0,0,1,0,0|2,0,0]=4 13838 B15R1.3880 CCNC(=O)CN1CCCCC1CCO 34a_100000211664_100000183381 [1,0,0,1,0,0|2,0,0]=4 13839 B15R1.3880 CCNC(=O)CN1CCCCC1COC 2230a_100015184032_100000183381 [1,0,0,1,0,0|2,0,0]=4 13840 B15R1.3880 CCNC(=O)CN1CCCCC1COC 269982a_100015184032_100000183381 [1,0,0,1,0,0|2,0,0]=4 13841 B15R1.3880 CCNC(=O)CN1CCCCC1COC 34a_100015184032_100000183381 [1,0,0,1,0,0|2,0,0]=4 13842 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210326 [1,0,0,1,0,0|1,0,0]=3 13843 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210215 [1,0,0,1,0,0|1,0,0]=3 13844 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000718602 [1,0,0,1,0,0|1,0,0]=3 13845 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210326 [1,0,0,1,0,0|2,0,0]=4 13846 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210215 [1,0,0,1,0,0|2,0,0]=4 13847 B15R1.9209 CCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210211 [1,0,0,1,0,0|2,0,0]=4 13848 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCF 2230a_100020641767_100000729493 [1,0,0,1,0,0|2,0,0]=4 13849 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCF 269982a_100020641767_100000729493 [1,0,0,1,0,0|2,0,0]=4 13850 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCF 34a_100020641767_100000729493 [1,0,0,1,0,0|2,0,0]=4 13851 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCO 2230a_100020641767_100000210776 [1,0,0,1,0,0|2,0,0]=4 13852 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCO 269982a_100020641767_100000210776 [1,0,0,1,0,0|2,0,0]=4 13853 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCO 34a_100020641767_100011216708 [1,0,0,1,0,0|2,0,0]=4 13854 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCOC 2230a_100020641767_100000740836 [1,0,0,1,0,0|2,0,0]=4 13855 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCOC 269982a_100020641767_100000740836 [1,0,0,1,0,0|2,0,0]=4 13856 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCOC 34a_100020641767_100000740836 [1,0,0,1,0,0|2,0,0]=4 13857 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCOCC 2230a_100020641767_100011215890 [1,0,0,1,0,0|2,0,0]=4 13858 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCOCC 269982a_100020641767_100011215890 [1,0,0,1,0,0|2,0,0]=4 13859 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCOCC 34a_100020641767_100000210147 [1,0,0,1,0,0|2,0,0]=4 13860 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCSCC 2230a_100020641767_100000757381 [1,0,0,1,0,0|2,0,0]=4 13861 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCSCC 269982a_100020641767_100000757381 [1,0,0,1,0,0|2,0,0]=4 13862 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCSCC 34a_100020641767_100000757381 [1,0,0,1,0,0|2,0,0]=4 13863 B15R1.10366 CCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100000210303 [1,0,0,1,0,0|2,0,0]=4 13864 B15R1.10366 CCCC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747444 [1,0,0,1,0,0|2,0,0]=4 13865 B15R1.10366 CCCC(=O)COC1CCCCCCC1 7a_100000210054_100000747444 [1,0,0,1,0,0|2,0,0]=4 13866 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 2230a_100000211400_100000737597 [1,0,0,1,0,0|1,0,0]=3 13867 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 240690a_100015525214_200015187237 [1,0,0,1,0,0|1,0,0]=3 13868 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 269982a_100000211400_100000737597 [1,0,0,1,0,0|1,0,0]=3 13869 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 2230a_100000211152_100000183381 [1,0,0,1,0,0|1,0,0]=3 13870 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 270004a_100016988866_100000210524 [1,0,0,1,0,0|1,0,0]=3 13871 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 34a_100000211152_100000183381 [1,0,0,1,0,0|1,0,0]=3 13872 B15R1.10366 CCNC(=O)COC1CCCCCCC1 34a_100000210054_100000183381 [1,0,0,1,0,0|1,0,0]=3 13873 B15R1.10366 CCNC(=O)COC1CCCCCCC1 7a_100000210054_100000183381 [1,0,0,1,0,0|1,0,0]=3 13874 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 2230a_100000211400_100011206558 [1,0,0,1,0,0|2,0,0]=4 13875 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 269982a_100000211400_100011206558 [1,0,0,1,0,0|2,0,0]=4 13876 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 34a_100000211400_100000765890 [1,0,0,1,0,0|2,0,0]=4 13877 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000188475 [1,0,0,1,0,0|2,0,0]=4 13878 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000188475 [1,0,0,1,0,0|2,0,0]=4 13879 B15R1.10366 CCOC(=O)COC1CCCCCCC1 34a_100000210054_100000188475 [1,0,0,1,0,0|2,0,0]=4 13880 B15R1.10366 CCOC(=O)COC1CCCCCCC1 7a_100000210054_100000188475 [1,0,0,1,0,0|2,0,0]=4 13881 B15R1.10366 CNNC(=O)CCN1CCCCCCC1 22a_100016993582_200015187237 [1,0,0,1,0,0|2,0,0]=4 13882 B15R1.10366 O=C(CNC1CCCCCCC1)NCO 2230a_100000211152_100000185155 [1,0,0,1,0,0|2,0,0]=4 13883 B15R1.10366 O=C(CNC1CCCCCCC1)NCO 34a_100000211152_100000185155 [1,0,0,1,0,0|2,0,0]=4 13884 B15R1.10366 O=C(COC1CCCCCCC1)NCO 34a_100000210054_100000185155 [1,0,0,1,0,0|2,0,0]=4 13885 B15R1.10366 O=C(COC1CCCCCCC1)NCO 7a_100000210054_100000185155 [1,0,0,1,0,0|2,0,0]=4 13886 B15R1.10442 CCOC(=O)CCCCCCNC1CC1 34a_100000212008_100009814379 [1,0,0,1,0,0|2,0,0]=4 13887 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 2230a_100000735609_100000755133 [1,0,0,1,0,0|2,0,0]=4 13888 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 34a_100000735609_100000755133 [1,0,0,1,0,0|2,0,0]=4 13889 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 34a_100000211283_100000755133 [1,0,0,1,0,0|2,0,0]=4 13890 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 7a_100011214988_100000742324 [1,0,0,1,0,0|2,0,0]=4 13891 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000755133_100000742324 [1,0,0,1,0,0|2,0,0]=4 13892 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000756562_100000755133 [1,0,0,1,0,0|2,0,0]=4 13893 B15R1.10442 CCOC(=O)CCCCNCCC1CC1 34a_100000764129_100000750268 [1,0,0,1,0,0|2,0,0]=4 13894 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 34a_100000754188_100000750268 [1,0,0,1,0,0|2,0,0]=4 13895 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 7a_100000754188_100000750268 [1,0,0,1,0,0|2,0,0]=4 13896 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000750268_100000764125 [1,0,0,1,0,0|2,0,0]=4 13897 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000764125_100000750268 [1,0,0,1,0,0|2,0,0]=4 13898 B15R1.10705 CCCC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747444 [1,0,0,1,0,0|2,0,0]=4 13899 B15R1.10705 CCCC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747444 [1,0,0,1,0,0|2,0,0]=4 13900 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 2230a_100000039187_100000183381 [1,0,0,1,0,0|1,0,0]=3 13901 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 269982a_100000039187_100000183381 [1,0,0,1,0,0|1,0,0]=3 13902 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 34a_100000039187_100000183381 [1,0,0,1,0,0|1,0,0]=3 13903 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000188475 [1,0,0,1,0,0|2,0,0]=4 13904 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000188475 [1,0,0,1,0,0|2,0,0]=4 13905 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000188475 [1,0,0,1,0,0|2,0,0]=4 13906 B15R1.10705 O=C(CN1CCCCCCCC1)NCO 2230a_100000039187_100000185155 [1,0,0,1,0,0|2,0,0]=4 13907 B15R1.10705 O=C(CN1CCCCCCCC1)NCO 269982a_100000039187_100000185155 [1,0,0,1,0,0|2,0,0]=4 13908 B15R1.10705 O=C(CN1CCCCCCCC1)NCO 34a_100000039187_100000185155 [1,0,0,1,0,0|2,0,0]=4 13909 B15R1.12171 CCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210319 [1,0,0,1,0,0|1,0,0]=3 13910 B15R1.12171 CCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210319 [1,0,0,1,0,0|2,0,0]=4 13911 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 11a_100000212291_100000210395 [1,0,0,1,0,0|2,0,0]=4 13912 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 1626a_100000212291_100000210395 [1,0,0,1,0,0|2,0,0]=4 13913 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 240690a_100000212291_100000210395 [1,0,0,1,0,0|2,0,0]=4 13914 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 527a_100000212291_100000210395 [1,0,0,1,0,0|2,0,0]=4 13915 B15R1.12171 CCCCCCCCNCC(=O)C1CC1 2230a_100000229939_100000746382 [1,0,0,1,0,0|2,0,0]=4 13916 B15R1.12171 CCCCCCCCNCC(=O)C1CC1 34a_100000229939_100000746382 [1,0,0,1,0,0|2,0,0]=4 13917 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 34a_100000210232_100000746382 [1,0,0,1,0,0|2,0,0]=4 13918 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210759 [1,0,0,1,0,0|2,0,0]=4 13919 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 7a_100000210232_100000746382 [1,0,0,1,0,0|2,0,0]=4 13920 B15R1.12171 CCCCCCCCSCC(=O)C1CC1 62a_100000210759_100000746382 [1,0,0,1,0,0|2,0,0]=4 13921 B15R1.12171 CCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210317 [1,0,0,1,0,0|2,0,0]=4 13922 B15R1.12171 O=C(CCCCCCCCCO)C1CC1 1458a_100000210395_100009813782 [1,0,0,1,0,0|2,0,0]=4 13923 B17R1.972 CCCC(C)CNCCCN1CCNC(=O)C1 2230a_100000757908_100011216630 [0,1,0,1,0,0|2,0,0]=4 13924 B17R1.972 CCCC(C)CNCCCN1CCNC(=O)C1 270004a_100000757908_100000243154 [0,1,0,1,0,0|2,0,0]=4 13925 B17R1.972 CCNC(=O)CCNCCN1CCCC(C1)C 2230a_100000739826_100000737597 [0,1,0,1,0,0|2,0,0]=4 13926 B17R1.972 CCNC(=O)CCNCCN1CCCC(C1)C 34a_100025743525_100000766211 [0,1,0,1,0,0|2,0,0]=4 13927 B17R1.972 CCNC(=O)CCSCCN1CCCC(C1)C 62a_100000737597_100000766211 [0,1,0,1,0,0|2,0,0]=4 13928 B17R1.972 CCOC(=O)CCCCCN1CCCC(C1)F 2230a_100000697950_100000755133 [0,1,0,1,0,0|2,0,0]=4 13929 B17R1.972 CCOC(=O)CCCCCN1CCCC(C1)F 269982a_100000697950_100000755133 [0,1,0,1,0,0|2,0,0]=4 13930 B17R1.972 CCOC(=O)CCCCCN1CCCC(C1)F 34a_100000697950_100000755133 [0,1,0,1,0,0|2,0,0]=4 13931 B17R1.972 CCOC(=O)CCCCCN1CCCC(C1)O 2230a_100000211013_100000755133 [0,1,0,1,0,0|2,0,0]=4 13932 B17R1.972 CCOC(=O)CCCCCN1CCCC(C1)O 269982a_100000211013_100000755133 [0,1,0,1,0,0|2,0,0]=4 13933 B17R1.972 CCOC(=O)CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000755133 [0,1,0,1,0,0|2,0,0]=4 13934 B17R1.972 CCOC(=O)CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000755133 [0,1,0,1,0,0|2,0,0]=4 13935 B17R1.972 CCOC(=O)CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000755133 [0,1,0,1,0,0|2,0,0]=4 13936 B17R1.972 CCOC(=O)CCCCNC1CCCC(C1)C 2230a_100011194320_100000750268 [0,1,0,1,0,0|2,0,0]=4 13937 B17R1.972 CCOC(=O)CCCCNC1CCCC(C1)C 34a_100011194320_100000750268 [0,1,0,1,0,0|2,0,0]=4 13938 B17R1.972 CCOC(=O)CCCCNC1CCCC(C1)O 2230a_100015190357_100000750268 [0,1,0,1,0,0|2,0,0]=4 13939 B17R1.972 CCOC(=O)CCCCOC1CCCC(C1)C 34a_100000211399_100000750268 [0,1,0,1,0,0|2,0,0]=4 13940 B17R1.972 CCOC(=O)CCCNCC1CCCC(C1)O 2230a_100011254705_100009991533 [0,1,0,1,0,0|2,0,0]=4 13941 B17R1.994 CCOC(=O)CCCCCCN1CCC(C1)O 2230a_100011215560_100009814379 [0,1,0,1,0,0|2,0,0]=4 13942 B17R1.994 CCOC(=O)CCCCCCN1CCC(C1)O 269982a_100011215560_100009814379 [0,1,0,1,0,0|2,0,0]=4 13943 B17R1.994 CCOC(=O)CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100009814379 [0,1,0,1,0,0|2,0,0]=4 13944 B17R1.994 CCOC(=O)CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100009814379 [0,1,0,1,0,0|2,0,0]=4 13945 B17R1.994 CCOC(=O)CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100009814379 [0,1,0,1,0,0|2,0,0]=4 13946 B17R1.994 CCOC(=O)CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100009814379 [0,1,0,1,0,0|2,0,0]=4 13947 B17R1.994 CCOC(=O)CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100009814379 [0,1,0,1,0,0|2,0,0]=4 13948 B17R1.994 CCOC(=O)CCCCCCN1CC[C@H](C1)C 34a_100016987628_100009814379 [0,1,0,1,0,0|2,0,0]=4 13949 B17R1.994 CCOC(=O)CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000755133 [0,1,0,1,0,0|2,0,0]=4 13950 B17R1.994 CCOC(=O)CCCCCOC1CCC(C1)C 34a_100000698185_100000755133 [0,1,0,1,0,0|2,0,0]=4 13951 B17R1.1007 CCOC(=O)C1CCCCC1OCCC(C)C 7a_100000038711_100000210626 [0,1,0,1,0,0|2,0,0]=4 13952 B17R1.1007 CCOC(=O)C1CCCCC1OCCC(C)O 7a_100000038711_100012276601 [0,1,0,1,0,0|2,0,0]=4 13953 B17R1.1007 CCOC(=O)C1CCCCN1CCCC(C)C 2230a_100016990872_100011214892 [0,1,0,1,0,0|2,0,0]=4 13954 B17R1.1007 CCOC(=O)C1CCCCN1CCCC(C)C 269982a_100016990872_100011214892 [0,1,0,1,0,0|2,0,0]=4 13955 B17R1.1007 CCOC(=O)C1CCCCN1CCCC(C)O 2230a_100016990872_200000718107 [0,1,0,1,0,0|2,0,0]=4 13956 B17R1.1007 CCOC(=O)C1CCCCN1CCCC(C)O 269982a_100016990872_200000718107 [0,1,0,1,0,0|2,0,0]=4 13957 B17R1.1021 CCNC(=O)[C@@H]1CCCN1CCCCC(=O)C 269982a_100020641767_100000735457 [0,1,0,1,0,0|1,0,1]=4 13958 B17R1.1021 CCNC(=O)[C@@H]1CCCN1CCCCC(=O)C 34a_100020641767_100009817362 [0,1,0,1,0,0|1,0,1]=4 13959 B17R1.1021 CCNC(=O)[C@@H]1CCCN1CCCCC(C)C 2230a_100020641767_100011216152 [0,1,0,1,0,0|1,0,0]=3 13960 B17R1.1021 CCNC(=O)[C@@H]1CCCN1CCCCC(C)C 269982a_100020641767_100011216152 [0,1,0,1,0,0|1,0,0]=3 13961 B17R1.1021 CCNC(=O)[C@@H]1CCCN1CCCCC(C)C 34a_100020641767_100011216152 [0,1,0,1,0,0|1,0,0]=3 13962 B17R1.1021 CCNC(=O)[C@@H]1CCCN1CCCCN(C)C 269982a_100020641767_100000690147 [0,1,0,1,0,0|2,0,0]=4 13963 B17R1.1021 CCOC(=O)[C@@H]1CCCN1CCCCC(C)C 2230a_100000703725_100011216152 [0,1,0,1,0,0|2,0,0]=4 13964 B17R1.1021 CCOC(=O)[C@@H]1CCCN1CCCCC(C)C 269982a_100000703725_100011216152 [0,1,0,1,0,0|2,0,0]=4 13965 B17R1.1021 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCC(C)C 7a_200015395474_100011214892 [0,1,0,1,0,0|2,0,0]=4 13966 B17R1.1021 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCC(C)O 7a_200015395474_200000718107 [0,1,0,1,0,0|2,0,0]=4 13967 B17R1.1669 CCNC(=O)CN1CCCCC1CCN(C)C 269982a_100000243220_100000183381 [0,1,0,1,0,0|2,0,0]=4 13968 B17R1.1669 CCOC(=O)CC1CCCCN1CCC(C)C 2230a_100116209990_100000210312 [0,1,0,1,0,0|2,0,0]=4 13969 B17R1.1669 CCOC(=O)CC1CCCCN1CCC(C)C 269982a_100116209990_100000210312 [0,1,0,1,0,0|2,0,0]=4 13970 B17R1.1669 CCOC(=O)CC1CCCCN1CCC(C)O 2230a_100116209990_100012276601 [0,1,0,1,0,0|2,0,0]=4 13971 B17R1.1669 CCOC(=O)CC1CCCCN1CCC(C)O 269982a_100116209990_100012276601 [0,1,0,1,0,0|2,0,0]=4 13972 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)C 2230a_100000702820_100009991516 [0,1,0,1,0,0|2,0,0]=4 13973 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)C 269982a_100000702820_100009991516 [0,1,0,1,0,0|2,0,0]=4 13974 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)C 34a_100000702820_100009991516 [0,1,0,1,0,0|2,0,0]=4 13975 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)F 2230a_100000690557_100009991516 [0,1,0,1,0,0|2,0,0]=4 13976 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)F 269982a_100000690557_100009991516 [0,1,0,1,0,0|2,0,0]=4 13977 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)F 34a_100000690557_100009991516 [0,1,0,1,0,0|2,0,0]=4 13978 B17R1.4844 CCOC(=O)CCCCCCCN1CC(C1)O 269982a_100000749847_100009991516 [0,1,0,1,0,0|2,0,0]=4 13979 B17R1.4844 CCOC(=O)CCCCCCNC1CC(C1)F 2230a_100016993743_100009814379 [0,1,0,1,0,0|2,0,0]=4 13980 B17R1.4844 CCOC(=O)CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100009814379 [0,1,0,1,0,0|2,0,0]=4 13981 B17R1.4844 CCOC(=O)CCCCCNCC1CC(C1)O 2230a_100016992100_100000755133 [0,1,0,1,0,0|2,0,0]=4 13982 B17R1.4844 CCOC(=O)CCCCCOCC1CC(C1)Cl 34a_100009874164_100000755133 [0,1,0,1,0,0|2,0,0]=4 13983 B17R1.4856 CCNC(=O)CCN1CCCCC1CN(C)C 2230a_100000746231_100000737597 [0,1,0,1,0,0|2,0,0]=4 13984 B17R1.4856 CCNC(=O)CCN1CCCCC1CN(C)C 269982a_100000746231_100000737597 [0,1,0,1,0,0|2,0,0]=4 13985 B17R1.4856 CCNC(=O)CCN1CCOCC1CC(C)C 2230a_100000755734_100000737597 [0,1,0,1,0,0|2,0,0]=4 13986 B17R1.4856 CCNC(=O)CCN1CCOCC1CC(C)C 269982a_100000755734_100000737597 [0,1,0,1,0,0|2,0,0]=4 13987 B17R1.4856 CCNC(=O)COC1CCCCC1NC(C)C 34a_100000692356_100000183381 [0,1,0,1,0,0|2,0,0]=4 13988 B17R1.9279 CC(C)CCCCCCCOCC1=NCCN1 34a_200000210741_100000737910 [0,1,0,1,0,0|2,0,0]=4 13989 B17R1.9279 CC(C)CCCCCCCOCC1=NCCN1 7a_200000210741_100000737910 [0,1,0,1,0,0|2,0,0]=4 13990 B17R1.11234 CC(C)CCCCCCCOC1CCCC1=O 34a_200000210741_100000709159 [0,1,0,1,0,0|2,0,0]=4 13991 B17R1.11234 CC(C)CCCCCCCOC1CCCC1=O 7a_200000210741_100000211823 [0,1,0,1,0,0|2,0,0]=4 13992 B17R1.11234 CC(C)CCCCCCCOC1CCOC1=O 34a_200000210741_100000211211 [0,1,0,1,0,0|2,0,0]=4 13993 B17R1.11234 CC(C)CCCCCCCOC1CCOC1=O 7a_200000210741_100000211211 [0,1,0,1,0,0|2,0,0]=4 13994 B17R1.11234 CC(C)CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210682 [0,1,0,1,0,0|2,0,0]=4 13995 B17R1.11234 CC(C)CCCCCNCCN1CCNC1=O 2230a_100011290863_100000090651 [0,1,0,1,0,0|2,0,0]=4 13996 B17R1.11234 CC(C)CCCCCOCCN1CCNC1=O 34a_100000216532_100000210682 [0,1,0,1,0,0|2,0,0]=4 13997 B17R1.11234 CC(C)CCCCCOCCN1CCNC1=O 7a_100011995859_100000090651 [0,1,0,1,0,0|2,0,0]=4 13998 B17R1.11234 CC(C)CCCCCSCCN1CCNC1=O 62a_100000090651_100000210682 [0,1,0,1,0,0|2,0,0]=4 13999 B17R1.11234 CC(C)CCCCCSCCN1CCNC1=O 62a_100000210682_100000090651 [0,1,0,1,0,0|2,0,0]=4 14000 B17R1.14399 CC(C)CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210682 [0,1,0,1,0,0|1,0,0]=3 14001 B17R1.14399 CC(C)CCCNCCCN1CCNC(=O)C1 2230a_100000757908_100011214892 [0,1,0,1,0,0|2,0,0]=4 14002 B17R1.14399 CC(O)CCCNCCCN1CCNC(=O)C1 2230a_100000757908_200000718107 [0,1,0,1,0,0|2,0,0]=4 14003 B17R1.19161 CCOC(=O)CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009991516 [0,1,0,1,0,0|2,0,0]=4 14004 B17R1.19161 CCOC(=O)CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009991516 [0,1,0,1,0,0|2,0,0]=4 14005 B17R1.19161 CCOC(=O)CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009991516 [0,1,0,1,0,0|2,0,0]=4 14006 B17R1.19161 CCOC(=O)CCCCCCOCC1CC1C 34a_100000744939_100009814379 [0,1,0,1,0,0|1,0,0]=3 14007 B17R1.19161 CCOC(=O)CCCCCCOCC1CC1C 7a_100000744939_100009814379 [0,1,0,1,0,0|1,0,0]=3 14008 B17R1.19168 CCNC(=O)CCOC1CCCCC1C(C)C 7a_100011709184_100000737597 [0,1,0,1,0,0|1,0,0]=3 14009 B17R1.19168 CCNC(=O)NCCC1CCCCN1C(C)C 2708a_100011919236_100015525214 [0,1,0,1,0,0|2,0,0]=4 14010 B17R1.19168 CCNC(=O)NCCC1CCCCN1C(C)C 2708a_100015525214_100011919236 [0,1,0,1,0,0|2,0,0]=4 14011 B17R1.19168 CCNC(=O)NCCC1CCCCN1C(C)C 273464a_100011919236_100015525214 [0,1,0,1,0,0|2,0,0]=4 14012 B17R1.19168 CCNC(=O)NCCC1CCCCN1C(C)C 273464a_100015525214_100011919236 [0,1,0,1,0,0|2,0,0]=4 14013 B17R1.19168 CCNC(=O)NCCC1CCCCN1C(C)C 512a_100011919236_100015525214 [0,1,0,1,0,0|2,0,0]=4 14014 B17R1.19168 CCNC(=O)NCCC1CCCCN1C(C)C 512a_100015525214_100011919236 [0,1,0,1,0,0|2,0,0]=4 14015 B17R1.19168 CCOC(=O)CCCN1CCCCC1C(C)C 2230a_100000757267_100009991533 [0,1,0,1,0,0|2,0,0]=4 14016 B17R1.19168 CCOC(=O)CCCN1CCCCC1C(C)C 269982a_100000757267_100009991533 [0,1,0,1,0,0|2,0,0]=4 14017 B17R1.19168 CCOC(=O)CCCN1CCCCC1C(C)C 34a_100000757267_100009991533 [0,1,0,1,0,0|2,0,0]=4 14018 B17R1.19168 CCOC(=O)CCOC1CCCCC1C(C)C 34a_100011709184_100000765890 [0,1,0,1,0,0|2,0,0]=4 14019 B17R1.19168 CCOC(=O)CCOC1CCCCC1C(C)C 7a_100011709184_100011206558 [0,1,0,1,0,0|2,0,0]=4 14020 B17R1.19172 CCOC(=O)CCCN1CCCC1CC(C)C 2230a_100000748429_100009991533 [0,1,0,1,0,0|2,0,0]=4 14021 B17R1.19172 CCOC(=O)CCCN1CCCC1CC(C)C 269982a_100000748429_100009991533 [0,1,0,1,0,0|2,0,0]=4 14022 B17R1.19172 CCOC(=O)CCCN1CCCC1CC(C)C 34a_100000748429_100009991533 [0,1,0,1,0,0|2,0,0]=4 14023 B17R1.21097 CC(C)CC1CCCCCN1CC(=O)NCO 2230a_100000759364_100000185155 [0,1,0,1,0,0|2,0,0]=4 14024 B17R1.21097 CC(C)CC1CCCCCN1CC(=O)NCO 269982a_100000759364_100000185155 [0,1,0,1,0,0|2,0,0]=4 14025 B17R1.21097 CC(C)CC1CCCCCN1CC(=O)NCO 34a_100000759364_100000185155 [0,1,0,1,0,0|2,0,0]=4 14026 B17R1.21097 CCCC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_100000747444 [0,1,0,1,0,0|2,0,0]=4 14027 B17R1.21097 CCCC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_100000747444 [0,1,0,1,0,0|2,0,0]=4 14028 B17R1.21097 CCNC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_100000183381 [0,1,0,1,0,0|1,0,0]=3 14029 B17R1.21097 CCNC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_100000183381 [0,1,0,1,0,0|1,0,0]=3 14030 B17R1.21097 CCNC(=O)CN1CCCCCC1CC(C)C 34a_100000759364_100000183381 [0,1,0,1,0,0|1,0,0]=3 14031 B17R1.21097 CCOC(=O)CN1CCCCCC1CC(C)C 2230a_100000759364_100000188475 [0,1,0,1,0,0|2,0,0]=4 14032 B17R1.21097 CCOC(=O)CN1CCCCCC1CC(C)C 269982a_100000759364_100000188475 [0,1,0,1,0,0|2,0,0]=4 14033 B17R1.21097 CCOC(=O)CN1CCCCCC1CC(C)C 34a_100000759364_100000188475 [0,1,0,1,0,0|2,0,0]=4 14034 B17R1.21117 CCNC(=O)CCOCCCCOCC1CO1 7a_100010889290_100000737597 [0,1,0,1,0,0|2,0,0]=4 14035 B17R1.21117 CCOC(=O)CCCCCCCCNC1CC1 34a_100000212008_100010175975 [0,1,0,1,0,0|1,0,0]=3 14036 B17R1.21117 CCOC(=O)CCCCCCCNCC1CC1 2230a_100000735609_100009991516 [0,1,0,1,0,0|1,0,0]=3 14037 B17R1.21117 CCOC(=O)CCCCCCCNCC1CC1 34a_100000735609_100009991516 [0,1,0,1,0,0|1,0,0]=3 14038 B17R1.21117 CCOC(=O)CCCCCCCOCC1CC1 34a_100000211283_100009991516 [0,1,0,1,0,0|1,0,0]=3 14039 B17R1.21117 CCOC(=O)CCCCCCCOC[C@@H]1CO1 34a_100000757423_100009991516 [0,1,0,1,0,0|2,0,0]=4 14040 B17R1.21117 CCOC(=O)CCCCCCCSCC1CC1 62a_100000756562_100009991516 [0,1,0,1,0,0|1,0,0]=3 14041 B17R1.21117 CCOC(=O)CCCCCCCSCC1CO1 62a_102125554688_100009991516 [0,1,0,1,0,0|2,0,0]=4 14042 B17R1.21117 CCOC(=O)CCCCCCCSCC1CS1 62a_100000031435_100009991516 [0,1,0,1,0,0|2,0,0]=4 14043 B17R1.21117 CCOC(=O)CCCCCCCSC[C@@H]1CO1 62a_100000745022_100009991516 [0,1,0,1,0,0|2,0,0]=4 14044 B17R1.21117 CCOC(=O)CCCCCCNCCC1CC1 34a_100000764129_100009814379 [0,1,0,1,0,0|1,0,0]=3 14045 B17R1.21117 CCOC(=O)CCCCCCOCCC1CC1 34a_100000754188_100009814379 [0,1,0,1,0,0|1,0,0]=3 14046 B17R1.21117 CCOC(=O)CCCCCCOCCC1CC1 7a_100000754188_100009814379 [0,1,0,1,0,0|1,0,0]=3 14047 B17R1.21117 CCOC(=O)CCCCCCOCC[C@@H]1CO1 34a_100009820653_100009814379 [0,1,0,1,0,0|2,0,0]=4 14048 B17R1.21117 CCOC(=O)CCCCCCSCCC1CC1 62a_100000764125_100009814379 [0,1,0,1,0,0|1,0,0]=3 14049 B17R1.21117 CCOC(=O)CCCCCCSCCC1CO1 62a_100000732470_100009814379 [0,1,0,1,0,0|2,0,0]=4 14050 B17R1.21117 CCOC(=O)CCCCCOCCCC1CO1 7a_100011214988_100000733510 [0,1,0,1,0,0|2,0,0]=4 14051 B17R1.21117 CCOC(=O)CCCCCOCCNC1CC1 34a_100000738766_100000755133 [0,1,0,1,0,0|2,0,0]=4 14052 B17R1.21117 CCOC(=O)CCCCCSCCCC1CO1 62a_100000733510_100000755133 [0,1,0,1,0,0|2,0,0]=4 14053 B17R1.21117 CCOC(=O)CCCCCSCCCC1CO1 62a_100000755133_100000733510 [0,1,0,1,0,0|2,0,0]=4 14054 B17R1.21179 CCOC(=O)CCCCN1CCCCC(C1)O 2230a_100025706797_100000750268 [0,1,0,1,0,0|2,0,0]=4 14055 B17R1.21179 CCOC(=O)CCCCN1CCCCC(C1)O 269982a_100025706797_100000750268 [0,1,0,1,0,0|2,0,0]=4 14056 B17R1.21327 CCOC(=O)CCCCN1CCCC1C(C)C 2230a_100000762757_100000750268 [0,1,0,1,0,0|2,0,0]=4 14057 B17R1.21327 CCOC(=O)CCCCN1CCCC1C(C)C 269982a_100000762757_100000750268 [0,1,0,1,0,0|2,0,0]=4 14058 B17R1.21327 CCOC(=O)CCCCN1CCCC1C(C)C 34a_100000762757_100000750268 [0,1,0,1,0,0|2,0,0]=4 14059 B17R1.21471 CCNC(=O)CCNCCN1CCCC1(C)C 2230a_100015204988_100000737597 [0,1,0,1,0,0|2,0,0]=4 14060 B17R1.21471 CCOC(=O)CCCCCN1CCCC1(C)C 2230a_100000761399_100000755133 [0,1,0,1,0,0|2,0,0]=4 14061 B17R1.21471 CCOC(=O)CCCCCN1CCCC1(C)C 269982a_100000761399_100000755133 [0,1,0,1,0,0|2,0,0]=4 14062 B17R1.21471 CCOC(=O)CCCCCN1CCCC1(C)C 34a_100000761399_100000755133 [0,1,0,1,0,0|2,0,0]=4 14063 B17R1.21471 CCOC(=O)CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000750268 [0,1,0,1,0,0|2,0,0]=4 14064 B17R1.21471 CCOC(=O)CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000750268 [0,1,0,1,0,0|2,0,0]=4 14065 B17R1.21471 CCOC(=O)CCCCOC1CCCC1(C)C 34a_100000726220_100000750268 [0,1,0,1,0,0|2,0,0]=4 14066 B17R1.21471 CCOC(=O)CCCCOC1CCCC1(C)C 7a_100000726220_100000750268 [0,1,0,1,0,0|2,0,0]=4 14067 B17R1.30556 CCNC(=O)CCN1CCCCCC1C(C)C 2230a_100000697956_100000737597 [0,1,0,1,0,0|1,0,0]=3 14068 B17R1.30556 CCNC(=O)CCN1CCCCCC1C(C)C 269982a_100000697956_100000737597 [0,1,0,1,0,0|1,0,0]=3 14069 B17R1.30556 CCOC(=O)CCN1CCCCCC1C(C)C 2230a_100000697956_100011206558 [0,1,0,1,0,0|2,0,0]=4 14070 B17R1.30556 CCOC(=O)CCN1CCCCCC1C(C)C 269982a_100000697956_100011206558 [0,1,0,1,0,0|2,0,0]=4 14071 B17R1.30556 CCOC(=O)CCN1CCCCCC1C(C)C 34a_100000697956_100000765890 [0,1,0,1,0,0|2,0,0]=4 14072 B17R1.102102 CC(C)CCCCCCCOCC(=O)C1CC1 34a_200000210741_100000746382 [0,1,0,1,0,0|2,0,0]=4 14073 B17R1.102102 CC(C)CCCCCCCOCC(=O)C1CC1 7a_200000210741_100000746382 [0,1,0,1,0,0|2,0,0]=4 14074 B17R1.126691 CCOC(=O)CCCCCOCC1CC1(C)C 34a_100000728257_100000755133 [0,1,0,1,0,0|2,0,0]=4 14075 B17R1.126691 CCOC(=O)CCCCCOCC1CC1(C)C 7a_100000728257_100000755133 [0,1,0,1,0,0|2,0,0]=4 14076 B17R1.346 C=CCC1CCCCC1NCCC(=O)NCC 269862a_100025743525_100011214939 [0,1,0,1,0,0|0,0,2]=4 14077 B17R1.346 C=CCC1CCCCC1NCCC(=O)NCC 270004a_100025743525_100011214939 [0,1,0,1,0,0|0,0,2]=4 14078 B17R1.346 CCCC(=O)OCOC1CCCCC1CCC 34a_100011217265_100000034017 [0,1,0,1,0,0|2,0,0]=4 14079 B17R1.346 CCCC1CCCCC1NCCC(=O)NCC 269862a_100025743525_100011218038 [0,1,0,1,0,0|0,0,0]=2 14080 B17R1.346 CCCC1CCCCC1NCCC(=O)NCC 270004a_100025743525_100011218038 [0,1,0,1,0,0|0,0,0]=2 14081 B17R1.346 CCCC1CCCCC1OCCC(=O)NCC 7a_100011217265_100000737597 [0,1,0,1,0,0|0,0,0]=2 14082 B17R1.346 CCCC1CCCCC1OCCC(=O)OCC 34a_100011217265_100000765890 [0,1,0,1,0,0|1,0,0]=3 14083 B17R1.346 CCCC1CCCCC1OCCC(=O)OCC 7a_100011217265_100011206558 [0,1,0,1,0,0|1,0,0]=3 14084 B17R1.346 CCCC1CCCCN1CCCC(=O)OCC 2230a_100000701414_100009991533 [0,1,0,1,0,0|1,0,0]=3 14085 B17R1.346 CCCC1CCCCN1CCCC(=O)OCC 269982a_100000701414_100009991533 [0,1,0,1,0,0|1,0,0]=3 14086 B17R1.346 CCCC1CCCCN1CCCC(=O)OCC 34a_100000701414_100009991533 [0,1,0,1,0,0|1,0,0]=3 14087 B17R1.346 CCCC1CCCCN1CCNC(=O)OCC 269982a_100000701414_200011445536 [0,1,0,1,0,0|2,0,0]=4 14088 B17R1.346 CCCC1COCCN1CCCC(=O)OCC 2230a_102495339903_100009991533 [0,1,0,1,0,0|2,0,0]=4 14089 B17R1.346 CCCC1COCCN1CCCC(=O)OCC 269982a_102495339903_100009991533 [0,1,0,1,0,0|2,0,0]=4 14090 B17R1.346 CCCC1COCCN1CCCC(=O)OCC 34a_102495339903_100009991533 [0,1,0,1,0,0|2,0,0]=4 14091 B17R1.346 CCNC(=O)CCNC1CCCCC1CC#N 270004a_100025743525_100009866218 [0,1,0,1,0,0|1,0,1]=4 14092 B17R1.346 CCNC(=O)CCNC1CCCCC1OCC 270004a_100025743525_200000031474 [0,1,0,1,0,0|1,0,0]=3 14093 B17R1.346 CCNC(=O)COCC1CCCCN1CCN 34a_100011473795_100000183381 [0,1,0,1,0,0|2,0,0]=4 14094 B17R1.346 CCOC(=O)CCCN1CCCCC1CCO 2230a_100000211664_100009991533 [0,1,0,1,0,0|2,0,0]=4 14095 B17R1.346 CCOC(=O)CCCN1CCCCC1CCO 269982a_100000211664_100009991533 [0,1,0,1,0,0|2,0,0]=4 14096 B17R1.346 CCOC(=O)CCCN1CCCCC1CCO 34a_100000211664_100009991533 [0,1,0,1,0,0|2,0,0]=4 14097 B17R1.346 CCOC(=O)CCCN1CCCCC1COC 2230a_100015184032_100009991533 [0,1,0,1,0,0|2,0,0]=4 14098 B17R1.346 CCOC(=O)CCCN1CCCCC1COC 269982a_100015184032_100009991533 [0,1,0,1,0,0|2,0,0]=4 14099 B17R1.346 CCOC(=O)CCCN1CCCCC1COC 34a_100015184032_100009991533 [0,1,0,1,0,0|2,0,0]=4 14100 B17R1.359 CCCN1CCCC1COCCC(=O)NCC 7a_200000694710_100000737597 [0,1,0,1,0,0|1,0,0]=3 14101 B17R1.359 CCCN1CCCC1COCCC(=O)OCC 34a_200000694710_100000765890 [0,1,0,1,0,0|2,0,0]=4 14102 B17R1.359 CCCN1CCCC1COCCC(=O)OCC 7a_200000694710_100011206558 [0,1,0,1,0,0|2,0,0]=4 14103 B17R1.359 CCOC(=O)CCCCN1CCC[C@H]1COC 2230a_100020646714_100000750268 [0,1,0,1,0,0|2,0,0]=4 14104 B17R1.359 CCOC(=O)CCCCN1CCC[C@H]1COC 269982a_100020646714_100000750268 [0,1,0,1,0,0|2,0,0]=4 14105 B17R1.359 CCOC(=O)CCCCN1CCC[C@H]1COC 34a_100020646714_100000750268 [0,1,0,1,0,0|2,0,0]=4 14106 B17R1.716 C#CCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100153394163 [0,1,0,1,0,0|0,0,2]=4 14107 B17R1.716 C#CCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100153394163 [0,1,0,1,0,0|0,0,2]=4 14108 B17R1.716 C#CCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100153394163 [0,1,0,1,0,0|0,0,2]=4 14109 B17R1.716 C#CCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100012276617 [0,1,0,1,0,0|0,0,2]=4 14110 B17R1.716 C=CCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011933949 [0,1,0,1,0,0|0,0,2]=4 14111 B17R1.716 C=CCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100012355270 [0,1,0,1,0,0|0,0,2]=4 14112 B17R1.716 C=CCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100012355270 [0,1,0,1,0,0|0,0,2]=4 14113 B17R1.716 C=CCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012355270 [0,1,0,1,0,0|0,0,2]=4 14114 B17R1.716 C=CCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100011215473 [0,1,0,1,0,0|0,0,2]=4 14115 B17R1.716 CC/C=C\CCCCCNC1CCNC(=O)C1 269862a_100016994916_100016288537 [0,1,0,1,0,0|0,0,2]=4 14116 B17R1.716 CCC#CCCCCCCN1CCNC(=O)C1 2230a_100000184651_200000036426 [0,1,0,1,0,0|0,0,2]=4 14117 B17R1.716 CCCCC#CCCCNC1CCNC(=O)C1 2230a_100016994916_200000047210 [0,1,0,1,0,0|0,0,2]=4 14118 B17R1.716 CCCCC#CCCCNC1CCNC(=O)C1 34a_100016994916_200000047210 [0,1,0,1,0,0|0,0,2]=4 14119 B17R1.716 CCCCC#CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_200000047210 [0,1,0,1,0,0|0,0,2]=4 14120 B17R1.716 CCCCCC#CCOCC1CCNC(=O)C1 34a_100009886756_100009816472 [0,1,0,1,0,0|0,0,2]=4 14121 B17R1.716 CCCCCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210320 [0,1,0,1,0,0|2,0,0]=4 14122 B17R1.716 CCCCCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210320 [0,1,0,1,0,0|2,0,0]=4 14123 B17R1.716 CCCCCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210320 [0,1,0,1,0,0|2,0,0]=4 14124 B17R1.716 CCCCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210320 [0,1,0,1,0,0|0,0,0]=2 14125 B17R1.716 CCCCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210320 [0,1,0,1,0,0|1,0,0]=3 14126 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100011214924 [0,1,0,1,0,0|0,0,0]=2 14127 B17R1.716 CCCCCCCCCNC1CCNC(=O)C1 34a_100016994916_100011214924 [0,1,0,1,0,0|0,0,0]=2 14128 B17R1.716 CCCCCCCCCNC1CCN[C@@H](C1)C 270004a_100000212291_100016994030 [0,1,0,1,0,0|1,0,1]=4 14129 B17R1.716 CCCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100011214924 [0,1,0,1,0,0|1,0,0]=3 14130 B17R1.716 CCCCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011214924 [0,1,0,1,0,0|0,0,0]=2 14131 B17R1.716 CCCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210759 [0,1,0,1,0,0|2,0,0]=4 14132 B17R1.716 CCCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210759 [0,1,0,1,0,0|0,0,0]=2 14133 B17R1.716 CCCCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210314 [0,1,0,1,0,0|1,0,0]=3 14134 B17R1.716 CCCCOCNCCCN1CCNC(=O)C1 2230a_100000757908_100011995733 [0,1,0,1,0,0|2,0,0]=4 14135 B17R1.716 CCCOCCNCCCN1CCNC(=O)C1 2230a_100000757908_100011215938 [0,1,0,1,0,0|2,0,0]=4 14136 B17R1.716 CCOCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100012232248 [0,1,0,1,0,0|2,0,0]=4 14137 B17R1.716 CCOCCOCCOCC1CCNC(=O)C1 34a_100009886756_100011211534 [0,1,0,1,0,0|2,0,0]=4 14138 B17R1.716 COCCCCCCOCC1CCNC(=O)C1 34a_100009886756_100011998445 [0,1,0,1,0,0|1,0,0]=3 14139 B17R1.716 COCCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000730899 [0,1,0,1,0,0|2,0,0]=4 14140 B17R1.716 COCCOCCCOCC1CCNC(=O)C1 34a_100009886756_100011216529 [0,1,0,1,0,0|2,0,0]=4 14141 B17R1.716 O=C1CC(CCN1)COCCCCCCCO 34a_100009886756_100000760002 [0,1,0,1,0,0|1,0,0]=3 14142 B17R1.716 O=C1CC(CCN1)NCCCCCCCCO 2230a_100016994916_100000033203 [0,1,0,1,0,0|1,0,0]=3 14143 B17R1.716 O=C1CC(CCN1)NCCCCCCCCO 34a_100016994916_100000033203 [0,1,0,1,0,0|1,0,0]=3 14144 B17R1.716 O=C1CCCC(C1)OCCCCCCCCO 34a_100012613340_100000033203 [0,1,0,1,0,0|2,0,0]=4 14145 B17R1.716 O=C1CN(CCN1)CCCCCCCCCO 2230a_100000184651_100009813782 [0,1,0,1,0,0|1,0,0]=3 14146 B17R1.716 O=C1CN(CCN1)CCCNCCCCCF 2230a_100000757908_100000729378 [0,1,0,1,0,0|2,0,0]=4 14147 B17R1.716 O=C1CN(CCN1)CCCNCCCCCO 2230a_100000757908_100000746330 [0,1,0,1,0,0|2,0,0]=4 14148 B17R1.716 O=C1CN(CCO1)CCCCCCCCCO 2230a_100000131268_100009813782 [0,1,0,1,0,0|2,0,0]=4 14149 B17R1.716 O=C1C[C@@H](CCN1)OCCCCCCCCO 34a_100015189427_100000033203 [0,1,0,1,0,0|1,0,0]=3 14150 B17R1.915 CCNC(=O)CCNCCCCC1OCCO1 34a_100025743525_200009813554 [0,1,0,1,0,0|2,0,0]=4 14151 B17R1.915 CCNC(=O)CCSCCCCC1OCCO1 62a_100000737597_100000034956 [0,1,0,1,0,0|2,0,0]=4 14152 B17R1.915 CCNC(=O)COCCCCOC1CCCO1 34a_100011018183_100000183381 [0,1,0,1,0,0|2,0,0]=4 14153 B17R1.915 CCNC(=O)COCCCCOC1CCCO1 7a_100011018183_100000183381 [0,1,0,1,0,0|2,0,0]=4 14154 B17R1.915 CCOC(=O)CCCCCCCN1CCCC1 2230a_100000188435_100009991516 [0,1,0,1,0,0|1,0,0]=3 14155 B17R1.915 CCOC(=O)CCCCCCCN1CCCC1 269982a_100000188435_100009991516 [0,1,0,1,0,0|1,0,0]=3 14156 B17R1.915 CCOC(=O)CCCCCCCN1CCSC1 2230a_100011215254_100009991516 [0,1,0,1,0,0|2,0,0]=4 14157 B17R1.915 CCOC(=O)CCCCCCCN1CCSC1 269982a_100011215254_100009991516 [0,1,0,1,0,0|2,0,0]=4 14158 B17R1.915 CCOC(=O)CCCCCCNC1CCCC1 2230a_100000211070_100009814379 [0,1,0,1,0,0|1,0,0]=3 14159 B17R1.915 CCOC(=O)CCCCCCNC1CCCC1 34a_100000211070_100009814379 [0,1,0,1,0,0|1,0,0]=3 14160 B17R1.915 CCOC(=O)CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100009814379 [0,1,0,1,0,0|2,0,0]=4 14161 B17R1.915 CCOC(=O)CCCCCCN[C@H]1CCOC1 2230a_100015188467_100009814379 [0,1,0,1,0,0|2,0,0]=4 14162 B17R1.915 CCOC(=O)CCCCCCN[C@H]1CCOC1 34a_100015188467_100009814379 [0,1,0,1,0,0|2,0,0]=4 14163 B17R1.915 CCOC(=O)CCCCCCOC1CCCC1 34a_100000210269_100009814379 [0,1,0,1,0,0|1,0,0]=3 14164 B17R1.915 CCOC(=O)CCCCCCOC1CCCC1 7a_100000210269_100009814379 [0,1,0,1,0,0|1,0,0]=3 14165 B17R1.915 CCOC(=O)CCCCCCOC1CCCO1 34a_100000085407_100009814379 [0,1,0,1,0,0|2,0,0]=4 14166 B17R1.915 CCOC(=O)CCCCCCOC1CCSC1 7a_100011232664_100009814379 [0,1,0,1,0,0|2,0,0]=4 14167 B17R1.915 CCOC(=O)CCCCCCO[C@H]1CCOC1 34a_100000717292_100009814379 [0,1,0,1,0,0|2,0,0]=4 14168 B17R1.915 CCOC(=O)CCCCCCSC1CCCC1 62a_100011217020_100009814379 [0,1,0,1,0,0|1,0,0]=3 14169 B17R1.915 CCOC(=O)CCCCCNCC1CCCC1 2230a_100000737975_100000755133 [0,1,0,1,0,0|1,0,0]=3 14170 B17R1.915 CCOC(=O)CCCCCNCC1CCCC1 34a_100000737975_100000755133 [0,1,0,1,0,0|1,0,0]=3 14171 B17R1.915 CCOC(=O)CCCCCNCC1CCOC1 2230a_100000737293_100000755133 [0,1,0,1,0,0|2,0,0]=4 14172 B17R1.915 CCOC(=O)CCCCCNCC1CCOC1 34a_100000737293_100000755133 [0,1,0,1,0,0|2,0,0]=4 14173 B17R1.915 CCOC(=O)CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000755133 [0,1,0,1,0,0|2,0,0]=4 14174 B17R1.915 CCOC(=O)CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000755133 [0,1,0,1,0,0|2,0,0]=4 14175 B17R1.915 CCOC(=O)CCCCCOCC1CCCC1 34a_100000742336_100000755133 [0,1,0,1,0,0|1,0,0]=3 14176 B17R1.915 CCOC(=O)CCCCCOCC1CCCC1 7a_100000742336_100000755133 [0,1,0,1,0,0|1,0,0]=3 14177 B17R1.915 CCOC(=O)CCCCCOCC1CCCC1 7a_100011214988_100000740388 [0,1,0,1,0,0|1,0,0]=3 14178 B17R1.915 CCOC(=O)CCCCCOCC1CCCO1 34a_100000210270_100000755133 [0,1,0,1,0,0|2,0,0]=4 14179 B17R1.915 CCOC(=O)CCCCCOCC1CCCO1 7a_100000210270_100000755133 [0,1,0,1,0,0|2,0,0]=4 14180 B17R1.915 CCOC(=O)CCCCCOCC1CCCO1 7a_100011214988_100000203698 [0,1,0,1,0,0|2,0,0]=4 14181 B17R1.915 CCOC(=O)CCCCCOCC1CCNC1 34a_100000748654_100000755133 [0,1,0,1,0,0|2,0,0]=4 14182 B17R1.915 CCOC(=O)CCCCCOCC1CCOC1 34a_100000740260_100000755133 [0,1,0,1,0,0|2,0,0]=4 14183 B17R1.915 CCOC(=O)CCCCCOCC1CCOC1 7a_100011214988_100000702531 [0,1,0,1,0,0|2,0,0]=4 14184 B17R1.915 CCOC(=O)CCCCCOC[C@H]1CCCN1 34a_100000745186_100000755133 [0,1,0,1,0,0|2,0,0]=4 14185 B17R1.915 CCOC(=O)CCCCCSCC1CCCC1 62a_100000740388_100000755133 [0,1,0,1,0,0|1,0,0]=3 14186 B17R1.915 CCOC(=O)CCCCCSCC1CCCC1 62a_100000755133_100000740388 [0,1,0,1,0,0|1,0,0]=3 14187 B17R1.915 CCOC(=O)CCCCCSCC1CCCO1 62a_100000203698_100000755133 [0,1,0,1,0,0|2,0,0]=4 14188 B17R1.915 CCOC(=O)CCCCCSCC1CCCO1 62a_100000755133_100000203698 [0,1,0,1,0,0|2,0,0]=4 14189 B17R1.915 CCOC(=O)CCCCCSCC1CCOC1 62a_100000702531_100000755133 [0,1,0,1,0,0|2,0,0]=4 14190 B17R1.915 CCOC(=O)CCCCCSCC1CCOC1 62a_100000755133_100000702531 [0,1,0,1,0,0|2,0,0]=4 14191 B17R1.915 CCOC(=O)CCCCNCCC1CCCC1 2230a_100000739158_100000750268 [0,1,0,1,0,0|1,0,0]=3 14192 B17R1.915 CCOC(=O)CCCCNCCC1CCCC1 34a_100000739158_100000750268 [0,1,0,1,0,0|1,0,0]=3 14193 B17R1.915 CCOC(=O)CCCCOCCC1CCCC1 34a_100000749090_100000750268 [0,1,0,1,0,0|1,0,0]=3 14194 B17R1.915 CCOC(=O)CCCCOCCC1CCCC1 7a_100000749090_100000750268 [0,1,0,1,0,0|1,0,0]=3 14195 B17R1.915 CCOC(=O)CCCCOCCC1CCNC1 34a_100016987287_100000750268 [0,1,0,1,0,0|2,0,0]=4 14196 B17R1.915 CCOC(=O)CCCCOCCC1CCOC1 34a_100011879284_100000750268 [0,1,0,1,0,0|2,0,0]=4 14197 B17R1.915 CCOC(=O)CCCCSCCC1CCCC1 62a_100000750268_100000760354 [0,1,0,1,0,0|1,0,0]=3 14198 B17R1.915 CCOC(=O)CCCCSCCC1CCCC1 62a_100000760354_100000750268 [0,1,0,1,0,0|1,0,0]=3 14199 B17R1.915 CCOC(=O)CCCCSCCN1CCCC1 62a_100000700749_100000750268 [0,1,0,1,0,0|2,0,0]=4 14200 B17R1.915 CCOC(=O)CCCCSCCN1CCCC1 62a_100000750268_100000004467 [0,1,0,1,0,0|2,0,0]=4 14201 B17R1.915 CCOC(=O)CCCNCCCC1CCCC1 2230a_100000736752_100009991533 [0,1,0,1,0,0|1,0,0]=3 14202 B17R1.915 CCOC(=O)CCCNCCCC1CCCC1 34a_100000736752_100009991533 [0,1,0,1,0,0|1,0,0]=3 14203 B17R1.915 CCOC(=O)CCCNCCOC1CCCC1 34a_100000741755_100009991533 [0,1,0,1,0,0|2,0,0]=4 14204 B17R1.915 CCOC(=O)CCCOCCCC1CCCC1 34a_100011215328_100009991533 [0,1,0,1,0,0|1,0,0]=3 14205 B17R1.915 CCOC(=O)CCCOCCCC1CCCC1 7a_100011215328_100011215271 [0,1,0,1,0,0|1,0,0]=3 14206 B17R1.915 CCOC(=O)CCCOCCCC1CCCC1 7a_100012001163_100011713738 [0,1,0,1,0,0|1,0,0]=3 14207 B17R1.915 CCOC(=O)CCCOCCCN1CCCC1 7a_100012001163_100011445909 [0,1,0,1,0,0|2,0,0]=4 14208 B17R1.915 CCOC(=O)CCCOCCNC1CCCC1 34a_200000200444_100009991533 [0,1,0,1,0,0|2,0,0]=4 14209 B17R1.915 CCOC(=O)CCCOCCOC1CCCC1 34a_100000738311_100009991533 [0,1,0,1,0,0|2,0,0]=4 14210 B17R1.915 CCOC(=O)CCCOCCOC1CCCC1 7a_100000738311_100011215271 [0,1,0,1,0,0|2,0,0]=4 14211 B17R1.915 CCOC(=O)CCCSCCCC1CCCC1 62a_100009991533_100011713738 [0,1,0,1,0,0|1,0,0]=3 14212 B17R1.915 CCOC(=O)CCCSCCCC1CCCC1 62a_100011713738_100009991533 [0,1,0,1,0,0|1,0,0]=3 14213 B17R1.915 CCOC(=O)CCCSCCCN1CCCC1 62a_100009991533_100011445909 [0,1,0,1,0,0|2,0,0]=4 14214 B17R1.915 CCOC(=O)CCCSCCCN1CCCC1 62a_100016991639_100009991533 [0,1,0,1,0,0|2,0,0]=4 14215 B17R1.915 CCOC(=O)CCNCCCOC1CCCC1 34a_100000747560_100000765890 [0,1,0,1,0,0|2,0,0]=4 14216 B17R1.915 CCOC(=O)COCCCNCC1CCCC1 2230a_100000737975_100009893628 [0,1,0,1,0,0|2,0,0]=4 14217 B17R1.915 CCOC(=O)COCCCNCC1CCCC1 34a_100000737975_100009893628 [0,1,0,1,0,0|2,0,0]=4 14218 B17R1.915 CCOC(=O)COCCCOCC1CCCC1 34a_100000742336_100009893628 [0,1,0,1,0,0|2,0,0]=4 14219 B17R1.915 CCOC(=O)COCCCOCC1CCCC1 7a_100000742336_100009893628 [0,1,0,1,0,0|2,0,0]=4 14220 B17R1.915 CCOC(=O)COCCCSCC1CCCC1 62a_100000740388_100009893628 [0,1,0,1,0,0|2,0,0]=4 14221 B17R1.915 CCOC(=O)COCCCSCC1CCCC1 62a_100009893628_100000740388 [0,1,0,1,0,0|2,0,0]=4 14222 B17R1.915 CCOC(=O)COCCNCCC1CCCC1 2230a_100000739158_100000088970 [0,1,0,1,0,0|2,0,0]=4 14223 B17R1.915 CCOC(=O)COCCNCCC1CCCC1 34a_100000739158_100000088970 [0,1,0,1,0,0|2,0,0]=4 14224 B17R1.915 CCOC(=O)COCCOCCC1CCCC1 34a_100000749090_100000088970 [0,1,0,1,0,0|2,0,0]=4 14225 B17R1.915 CCOC(=O)COCCOCCC1CCCC1 7a_100000749090_100000088970 [0,1,0,1,0,0|2,0,0]=4 14226 B17R1.915 CCOC(=O)COCCSCCC1CCCC1 62a_100000088970_100000760354 [0,1,0,1,0,0|2,0,0]=4 14227 B17R1.915 CCOC(=O)COCCSCCC1CCCC1 62a_100000760354_100000088970 [0,1,0,1,0,0|2,0,0]=4 14228 B17R1.915 CCOC(=O)CSCCOCCC1CCCC1 7a_200000230590_100000760354 [0,1,0,1,0,0|2,0,0]=4 14229 B17R1.915 CCOC(=O)NCCOCCCC1CCCC1 34a_100000158857_100011713738 [0,1,0,1,0,0|2,0,0]=4 14230 B17R1.915 CCOC(=O)NCCOCCCC1CCCC1 7a_100011215328_200011445536 [0,1,0,1,0,0|2,0,0]=4 14231 B17R1.915 CCOC(=O)NCCSCCCC1CCCC1 62a_100011713738_200011445536 [0,1,0,1,0,0|2,0,0]=4 14232 B17R1.957 CC1CCCCN1CCCNCC(=O)NCO 34a_100000212276_100000185155 [0,1,0,1,0,0|2,0,0]=4 14233 B17R1.957 CC1CCCCN1CCCOCC(=O)NCO 34a_100000213889_100000185155 [0,1,0,1,0,0|2,0,0]=4 14234 B17R1.957 CC1CCCCN1CCCOCC(=O)NCO 7a_100000213889_100000185155 [0,1,0,1,0,0|2,0,0]=4 14235 B17R1.957 CCCC(=O)COCCCN1CCCCC1C 7a_100000213889_100000747444 [0,1,0,1,0,0|2,0,0]=4 14236 B17R1.957 CCNC(=O)CCNCCC1CCCCN1C 34a_100025743525_100000211948 [0,1,0,1,0,0|1,0,0]=3 14237 B17R1.957 CCNC(=O)CCNCCN1CCCCC1C 2230a_100000739827_100000737597 [0,1,0,1,0,0|1,0,0]=3 14238 B17R1.957 CCNC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000737597 [0,1,0,1,0,0|1,0,0]=3 14239 B17R1.957 CCNC(=O)CCSCCC1CCCCN1C 62a_100000737597_100000211948 [0,1,0,1,0,0|1,0,0]=3 14240 B17R1.957 CCNC(=O)CNCCCN1CCCCC1C 34a_100000212276_100000183381 [0,1,0,1,0,0|1,0,0]=3 14241 B17R1.957 CCNC(=O)COCCCN1CCCCC1C 34a_100000213889_100000183381 [0,1,0,1,0,0|1,0,0]=3 14242 B17R1.957 CCNC(=O)COCCCN1CCCCC1C 7a_100000213889_100000183381 [0,1,0,1,0,0|1,0,0]=3 14243 B17R1.957 CCOC(=O)CCCCCN1CCCCC1C 2230a_100000211376_100000755133 [0,1,0,1,0,0|1,0,0]=3 14244 B17R1.957 CCOC(=O)CCCCCN1CCCCC1C 269982a_100000211376_100000755133 [0,1,0,1,0,0|1,0,0]=3 14245 B17R1.957 CCOC(=O)CCCCCN1CCCCC1C 34a_100000211376_100000755133 [0,1,0,1,0,0|1,0,0]=3 14246 B17R1.957 CCOC(=O)CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000755133 [0,1,0,1,0,0|2,0,0]=4 14247 B17R1.957 CCOC(=O)CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000755133 [0,1,0,1,0,0|2,0,0]=4 14248 B17R1.957 CCOC(=O)CCCCCN1CCOC[C@@H]1C 34a_100009815349_100000755133 [0,1,0,1,0,0|2,0,0]=4 14249 B17R1.957 CCOC(=O)CCCCNC1CCCCC1C 2230a_100000211402_100000750268 [0,1,0,1,0,0|1,0,0]=3 14250 B17R1.957 CCOC(=O)CCCCNC1CCCCC1C 34a_100000211402_100000750268 [0,1,0,1,0,0|1,0,0]=3 14251 B17R1.957 CCOC(=O)CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000750268 [0,1,0,1,0,0|2,0,0]=4 14252 B17R1.957 CCOC(=O)CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000750268 [0,1,0,1,0,0|2,0,0]=4 14253 B17R1.957 CCOC(=O)CCCCOC1CCCCC1C 34a_100000211207_100000750268 [0,1,0,1,0,0|1,0,0]=3 14254 B17R1.957 CCOC(=O)CCCCOC1CCCCC1C 7a_100000211207_100000750268 [0,1,0,1,0,0|1,0,0]=3 14255 B17R1.957 CCOC(=O)CCCCOC1CCCCC1Cl 34a_100000038908_100000750268 [0,1,0,1,0,0|2,0,0]=4 14256 B17R1.957 CCOC(=O)CCCCOC1CCCCC1Cl 7a_100000038908_100000750268 [0,1,0,1,0,0|2,0,0]=4 14257 B17R1.957 CCOC(=O)CCCCOC1CCNCC1C 34a_100011998114_100000750268 [0,1,0,1,0,0|2,0,0]=4 14258 B17R1.957 CCOC(=O)CCCCOC1CNCCC1C 34a_100000696640_100000750268 [0,1,0,1,0,0|2,0,0]=4 14259 B17R1.957 CCOC(=O)CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000750268 [0,1,0,1,0,0|2,0,0]=4 14260 B17R1.957 CCOC(=O)CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000750268 [0,1,0,1,0,0|2,0,0]=4 14261 B17R1.957 CCOC(=O)CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000750268 [0,1,0,1,0,0|2,0,0]=4 14262 B17R1.957 CCOC(=O)CCCCSC1CCCCC1F 62a_100000750268_100015423560 [0,1,0,1,0,0|2,0,0]=4 14263 B17R1.957 CCOC(=O)CCCCSC1CCCCC1F 62a_100015423560_100000750268 [0,1,0,1,0,0|2,0,0]=4 14264 B17R1.957 CCOC(=O)CCCCSC1CCCCC1O 62a_100000038908_100000750268 [0,1,0,1,0,0|2,0,0]=4 14265 B17R1.957 CCOC(=O)CCCCSC1CCCCC1O 62a_100000750268_100000038908 [0,1,0,1,0,0|2,0,0]=4 14266 B17R1.957 CCOC(=O)CCCNCC1CCCCC1O 34a_100011216029_100009991533 [0,1,0,1,0,0|2,0,0]=4 14267 B17R1.957 CCOC(=O)CCCNCC1CCCCN1C 34a_100011228421_100009991533 [0,1,0,1,0,0|2,0,0]=4 14268 B17R1.957 CCOC(=O)CCCOCC1CCCCN1C 34a_100000225079_100009991533 [0,1,0,1,0,0|2,0,0]=4 14269 B17R1.957 CCOC(=O)CCCOCC1CCCCN1C 7a_100012001163_100015185383 [0,1,0,1,0,0|2,0,0]=4 14270 B17R1.957 CCOC(=O)CCCSCC1CCCCN1C 62a_100009991533_100015185383 [0,1,0,1,0,0|2,0,0]=4 14271 B17R1.957 CCOC(=O)CCCSCC1CCCCN1C 62a_100015185383_100009991533 [0,1,0,1,0,0|2,0,0]=4 14272 B17R1.957 CCOC(=O)CCNCCN1CCCCC1C 2230a_100000739827_100011206558 [0,1,0,1,0,0|2,0,0]=4 14273 B17R1.957 CCOC(=O)CCNCCN1CCCCC1C 34a_100000739827_100000765890 [0,1,0,1,0,0|2,0,0]=4 14274 B17R1.957 CCOC(=O)CCOCCN1CCCCC1C 34a_100011305533_100000765890 [0,1,0,1,0,0|2,0,0]=4 14275 B17R1.957 CCOC(=O)CCSCCC1CCCCN1C 62a_100000211948_100000765890 [0,1,0,1,0,0|2,0,0]=4 14276 B17R1.957 CCOC(=O)CCSCCC1CCCCN1C 62a_100000765890_100000211948 [0,1,0,1,0,0|2,0,0]=4 14277 B17R1.957 CCOC(=O)CNCCCN1CCCCC1C 34a_100000212276_100000188475 [0,1,0,1,0,0|2,0,0]=4 14278 B17R1.957 CCOC(=O)COCCCN1CCCCC1C 2230a_100000211376_100009893628 [0,1,0,1,0,0|2,0,0]=4 14279 B17R1.957 CCOC(=O)COCCCN1CCCCC1C 269982a_100000211376_100009893628 [0,1,0,1,0,0|2,0,0]=4 14280 B17R1.957 CCOC(=O)COCCCN1CCCCC1C 34a_100000211376_100009893628 [0,1,0,1,0,0|2,0,0]=4 14281 B17R1.957 CCOC(=O)COCCCN1CCCCC1C 34a_100000213889_100000188475 [0,1,0,1,0,0|2,0,0]=4 14282 B17R1.957 CCOC(=O)COCCCN1CCCCC1C 7a_100000213889_100000188475 [0,1,0,1,0,0|2,0,0]=4 14283 B17R1.957 CCOC(=O)COCCNC1CCCCC1C 2230a_100000211402_100000088970 [0,1,0,1,0,0|2,0,0]=4 14284 B17R1.957 CCOC(=O)COCCNC1CCCCC1C 34a_100000211402_100000088970 [0,1,0,1,0,0|2,0,0]=4 14285 B17R1.957 CCOC(=O)COCCOC1CCCCC1C 34a_100000211207_100000088970 [0,1,0,1,0,0|2,0,0]=4 14286 B17R1.957 CCOC(=O)COCCOC1CCCCC1C 7a_100000211207_100000088970 [0,1,0,1,0,0|2,0,0]=4 14287 B17R1.958 CCOC(=O)CCCCCN1CCCC1CC 2230a_100000754278_100000755133 [0,1,0,1,0,0|1,0,0]=3 14288 B17R1.958 CCOC(=O)CCCCCN1CCCC1CC 269982a_100000754278_100000755133 [0,1,0,1,0,0|1,0,0]=3 14289 B17R1.958 CCOC(=O)CCCCCN1CCCC1CC 34a_100000754278_100000755133 [0,1,0,1,0,0|1,0,0]=3 14290 B17R1.958 CCOC(=O)CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000755133 [0,1,0,1,0,0|2,0,0]=4 14291 B17R1.958 CCOC(=O)CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000755133 [0,1,0,1,0,0|2,0,0]=4 14292 B17R1.958 CCOC(=O)CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000755133 [0,1,0,1,0,0|2,0,0]=4 14293 B17R1.958 CCOC(=O)CCCNCC1CCCN1CC 2230a_100000211693_100009991533 [0,1,0,1,0,0|2,0,0]=4 14294 B17R1.958 CCOC(=O)CCCOC[C@H]1CCCN1CC 34a_100011739246_100009991533 [0,1,0,1,0,0|2,0,0]=4 14295 B17R1.958 CCOC(=O)CCCOC[C@H]1CCCN1CC 7a_100011739246_100011215271 [0,1,0,1,0,0|2,0,0]=4 14296 B17R1.958 CCOC(=O)COCCCN1CCCC1CC 2230a_100000754278_100009893628 [0,1,0,1,0,0|2,0,0]=4 14297 B17R1.958 CCOC(=O)COCCCN1CCCC1CC 269982a_100000754278_100009893628 [0,1,0,1,0,0|2,0,0]=4 14298 B17R1.958 CCOC(=O)COCCCN1CCCC1CC 34a_100000754278_100009893628 [0,1,0,1,0,0|2,0,0]=4 14299 B17R1.995 CCCC(=O)COCCCCC1CCCCC1 7a_100011215267_100000747444 [0,1,0,1,0,0|1,0,0]=3 14300 B17R1.995 CCCC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100000211992 [0,1,0,1,0,0|2,0,0]=4 14301 B17R1.995 CCCC(=O)NCCCCCN1CCCCC1 527a_100000754421_100000211992 [0,1,0,1,0,0|2,0,0]=4 14302 B17R1.995 CCCC(=O)OCNCCCC1CCCCC1 2230a_100011211642_100000034017 [0,1,0,1,0,0|2,0,0]=4 14303 B17R1.995 CCCC(=O)OCNCCCC1CCCCC1 34a_100011211642_100000034017 [0,1,0,1,0,0|2,0,0]=4 14304 B17R1.995 CCCC(=O)OCOCCCC1CCCCC1 34a_100000198086_100000034017 [0,1,0,1,0,0|2,0,0]=4 14305 B17R1.995 CCCC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000034017 [0,1,0,1,0,0|2,0,0]=4 14306 B17R1.995 CCNC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100000737597 [0,1,0,1,0,0|0,0,0]=2 14307 B17R1.995 CCNC(=O)CCNCCCC1CCCCC1 34a_100025743525_100011713725 [0,1,0,1,0,0|0,0,0]=2 14308 B17R1.995 CCNC(=O)CCNCCCN1CCCCC1 34a_100025743525_100000690320 [0,1,0,1,0,0|1,0,0]=3 14309 B17R1.995 CCNC(=O)CCNCCCN1CCOCC1 34a_100025743525_100000748698 [0,1,0,1,0,0|2,0,0]=4 14310 B17R1.995 CCNC(=O)CCNCCOC1CCCCC1 34a_100025743525_100011211530 [0,1,0,1,0,0|1,0,0]=3 14311 B17R1.995 CCNC(=O)CCNCCOC1CCCCO1 34a_100025743525_100000744793 [0,1,0,1,0,0|2,0,0]=4 14312 B17R1.995 CCNC(=O)CCOCCCC1CCCCC1 7a_100000198086_100000737597 [0,1,0,1,0,0|0,0,0]=2 14313 B17R1.995 CCNC(=O)CCOCCOC1CCCCC1 7a_100011249652_100000737597 [0,1,0,1,0,0|1,0,0]=3 14314 B17R1.995 CCNC(=O)CCOCCOC1CCCCO1 7a_100000034223_100000737597 [0,1,0,1,0,0|2,0,0]=4 14315 B17R1.995 CCNC(=O)CCSCCCC1CCCCC1 62a_100000737597_100011713725 [0,1,0,1,0,0|0,0,0]=2 14316 B17R1.995 CCNC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000737597 [0,1,0,1,0,0|0,0,0]=2 14317 B17R1.995 CCNC(=O)CCSCCCN1CCCCC1 62a_100000737597_100000007876 [0,1,0,1,0,0|1,0,0]=3 14318 B17R1.995 CCNC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000737597 [0,1,0,1,0,0|1,0,0]=3 14319 B17R1.995 CCNC(=O)CCSCCCN1CCOCC1 62a_100000737597_100000748698 [0,1,0,1,0,0|2,0,0]=4 14320 B17R1.995 CCNC(=O)CCSCCOC1CCCCC1 62a_100000737597_100011211530 [0,1,0,1,0,0|1,0,0]=3 14321 B17R1.995 CCNC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000737597 [0,1,0,1,0,0|1,0,0]=3 14322 B17R1.995 CCNC(=O)CCSCCOC1CCCCO1 62a_100000737597_100000744793 [0,1,0,1,0,0|2,0,0]=4 14323 B17R1.995 CCNC(=O)CCSCCOC1CCCCO1 62a_100000744793_100000737597 [0,1,0,1,0,0|2,0,0]=4 14324 B17R1.995 CCNC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000183381 [0,1,0,1,0,0|1,0,0]=3 14325 B17R1.995 CCNC(=O)CNCCCOC1CCCCO1 2230a_100016988866_100000700653 [0,1,0,1,0,0|2,0,0]=4 14326 B17R1.995 CCNC(=O)COCCCCC1CCCCC1 34a_100011215267_100000183381 [0,1,0,1,0,0|0,0,0]=2 14327 B17R1.995 CCNC(=O)COCCCCC1CCCCC1 7a_100011215267_100000183381 [0,1,0,1,0,0|0,0,0]=2 14328 B17R1.995 CCNC(=O)COCCCCC1CCNCC1 34a_100016989291_100000183381 [0,1,0,1,0,0|1,0,0]=3 14329 B17R1.995 CCNC(=O)COCCCCN1CCOCC1 34a_100000723369_100000183381 [0,1,0,1,0,0|2,0,0]=4 14330 B17R1.995 CCNC(=O)CSCCCOC1CCCCO1 62a_100000183381_100000700653 [0,1,0,1,0,0|2,0,0]=4 14331 B17R1.995 CCNC(=O)CSCCCOC1CCCCO1 62a_100000700653_100000183381 [0,1,0,1,0,0|2,0,0]=4 14332 B17R1.995 CCNC(=O)NCCCCCN1CCCCC1 2708a_100000754421_100015525214 [0,1,0,1,0,0|1,0,0]=3 14333 B17R1.995 CCNC(=O)NCCCCCN1CCCCC1 2708a_100015525214_100000754421 [0,1,0,1,0,0|1,0,0]=3 14334 B17R1.995 CCNC(=O)NCCCCCN1CCCCC1 273464a_100000754421_100015525214 [0,1,0,1,0,0|1,0,0]=3 14335 B17R1.995 CCNC(=O)NCCCCCN1CCCCC1 273464a_100015525214_100000754421 [0,1,0,1,0,0|1,0,0]=3 14336 B17R1.995 CCNC(=O)NCCCCCN1CCCCC1 512a_100000754421_100015525214 [0,1,0,1,0,0|1,0,0]=3 14337 B17R1.995 CCNC(=O)NCCCCCN1CCCCC1 512a_100015525214_100000754421 [0,1,0,1,0,0|1,0,0]=3 14338 B17R1.995 CCNC(=O)NCCCCCN1CCOCC1 2708a_100015187005_100015525214 [0,1,0,1,0,0|2,0,0]=4 14339 B17R1.995 CCNC(=O)NCCCCCN1CCOCC1 2708a_100015525214_100015187005 [0,1,0,1,0,0|2,0,0]=4 14340 B17R1.995 CCNC(=O)NCCCCCN1CCOCC1 273464a_100015187005_100015525214 [0,1,0,1,0,0|2,0,0]=4 14341 B17R1.995 CCNC(=O)NCCCCCN1CCOCC1 273464a_100015525214_100015187005 [0,1,0,1,0,0|2,0,0]=4 14342 B17R1.995 CCNC(=O)NCCCCCN1CCOCC1 512a_100015187005_100015525214 [0,1,0,1,0,0|2,0,0]=4 14343 B17R1.995 CCNC(=O)NCCCCCN1CCOCC1 512a_100015525214_100015187005 [0,1,0,1,0,0|2,0,0]=4 14344 B17R1.995 CCNC(=O)NCCOCCN1CCCCC1 2708a_100011651313_100015525214 [0,1,0,1,0,0|2,0,0]=4 14345 B17R1.995 CCNC(=O)NCCOCCN1CCCCC1 2708a_100015525214_100011651313 [0,1,0,1,0,0|2,0,0]=4 14346 B17R1.995 CCNC(=O)NCCOCCN1CCCCC1 273464a_100011651313_100015525214 [0,1,0,1,0,0|2,0,0]=4 14347 B17R1.995 CCNC(=O)NCCOCCN1CCCCC1 273464a_100015525214_100011651313 [0,1,0,1,0,0|2,0,0]=4 14348 B17R1.995 CCOC(=O)CCCCCCN1CCCOC1 2230a_100000131196_100009814379 [0,1,0,1,0,0|2,0,0]=4 14349 B17R1.995 CCOC(=O)CCCCCCN1CCCOC1 269982a_100000131196_100009814379 [0,1,0,1,0,0|2,0,0]=4 14350 B17R1.995 CCOC(=O)CCCCCCN1CCCOC1 34a_100000131196_100009814379 [0,1,0,1,0,0|2,0,0]=4 14351 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 2230a_100015191051_100009814379 [0,1,0,1,0,0|2,0,0]=4 14352 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 269982a_100015191051_100009814379 [0,1,0,1,0,0|2,0,0]=4 14353 B17R1.995 CCOC(=O)CCCCCCN1CCOCC1 34a_100015191051_100009814379 [0,1,0,1,0,0|2,0,0]=4 14354 B17R1.995 CCOC(=O)CCCCCCN1CCSCC1 2230a_100000737611_100009814379 [0,1,0,1,0,0|2,0,0]=4 14355 B17R1.995 CCOC(=O)CCCCCCN1CCSCC1 269982a_100000737611_100009814379 [0,1,0,1,0,0|2,0,0]=4 14356 B17R1.995 CCOC(=O)CCCCCNC1CCCCC1 2230a_100000182618_100000755133 [0,1,0,1,0,0|1,0,0]=3 14357 B17R1.995 CCOC(=O)CCCCCNC1CCCCC1 34a_100000182618_100000755133 [0,1,0,1,0,0|1,0,0]=3 14358 B17R1.995 CCOC(=O)CCCCCNC1CCCOC1 2230a_100000719290_100000755133 [0,1,0,1,0,0|2,0,0]=4 14359 B17R1.995 CCOC(=O)CCCCCNC1CCCOC1 34a_100000719290_100000755133 [0,1,0,1,0,0|2,0,0]=4 14360 B17R1.995 CCOC(=O)CCCCCNC1CCOCC1 2230a_100000741149_100000755133 [0,1,0,1,0,0|2,0,0]=4 14361 B17R1.995 CCOC(=O)CCCCCNC1CCOCC1 34a_100000741149_100000755133 [0,1,0,1,0,0|2,0,0]=4 14362 B17R1.995 CCOC(=O)CCCCCNC1CCSCC1 2230a_100000748639_100000755133 [0,1,0,1,0,0|2,0,0]=4 14363 B17R1.995 CCOC(=O)CCCCCNC1CCSCC1 34a_100000748639_100000755133 [0,1,0,1,0,0|2,0,0]=4 14364 B17R1.995 CCOC(=O)CCCCCOC1CCCCC1 34a_100000210231_100000755133 [0,1,0,1,0,0|1,0,0]=3 14365 B17R1.995 CCOC(=O)CCCCCOC1CCCCC1 7a_100000210231_100000755133 [0,1,0,1,0,0|1,0,0]=3 14366 B17R1.995 CCOC(=O)CCCCCOC1CCCCC1 7a_100011214988_100000210327 [0,1,0,1,0,0|1,0,0]=3 14367 B17R1.995 CCOC(=O)CCCCCOC1CCCCO1 34a_100000033831_100000755133 [0,1,0,1,0,0|2,0,0]=4 14368 B17R1.995 CCOC(=O)CCCCCOC1CCCOC1 34a_100000754041_100000755133 [0,1,0,1,0,0|2,0,0]=4 14369 B17R1.995 CCOC(=O)CCCCCOC1CCCOC1 7a_100011214988_100000693364 [0,1,0,1,0,0|2,0,0]=4 14370 B17R1.995 CCOC(=O)CCCCCOC1CCCSC1 7a_100015962668_100000755133 [0,1,0,1,0,0|2,0,0]=4 14371 B17R1.995 CCOC(=O)CCCCCOC1CCOCC1 34a_100000744328_100000755133 [0,1,0,1,0,0|2,0,0]=4 14372 B17R1.995 CCOC(=O)CCCCCOC1CCOCC1 7a_100011214988_100000686592 [0,1,0,1,0,0|2,0,0]=4 14373 B17R1.995 CCOC(=O)CCCCCOC1CCSCC1 34a_100000731022_100000755133 [0,1,0,1,0,0|2,0,0]=4 14374 B17R1.995 CCOC(=O)CCCCCOC1CCSCC1 7a_100000731022_100000755133 [0,1,0,1,0,0|2,0,0]=4 14375 B17R1.995 CCOC(=O)CCCCCOC1CCSCC1 7a_100011214988_100011500858 [0,1,0,1,0,0|2,0,0]=4 14376 B17R1.995 CCOC(=O)CCCCCSC1CCCCC1 62a_100000210327_100000755133 [0,1,0,1,0,0|1,0,0]=3 14377 B17R1.995 CCOC(=O)CCCCCSC1CCCCC1 62a_100000755133_100000210327 [0,1,0,1,0,0|1,0,0]=3 14378 B17R1.995 CCOC(=O)CCCCCSC1CCCOC1 62a_100000755133_100000693364 [0,1,0,1,0,0|2,0,0]=4 14379 B17R1.995 CCOC(=O)CCCCCSC1CCOCC1 62a_100000755133_100011324220 [0,1,0,1,0,0|2,0,0]=4 14380 B17R1.995 CCOC(=O)CCCCCSC1CCSCC1 62a_100000755133_100000069128 [0,1,0,1,0,0|2,0,0]=4 14381 B17R1.995 CCOC(=O)CCCCNCC1CCCCC1 2230a_100000210473_100000750268 [0,1,0,1,0,0|1,0,0]=3 14382 B17R1.995 CCOC(=O)CCCCNCC1CCCCC1 34a_100000210473_100000750268 [0,1,0,1,0,0|1,0,0]=3 14383 B17R1.995 CCOC(=O)CCCCNCC1CCCCO1 2230a_100000174945_100000750268 [0,1,0,1,0,0|2,0,0]=4 14384 B17R1.995 CCOC(=O)CCCCNCC1CCCCO1 34a_100000174945_100000750268 [0,1,0,1,0,0|2,0,0]=4 14385 B17R1.995 CCOC(=O)CCCCNCC1CCCOC1 2230a_100000720124_100000750268 [0,1,0,1,0,0|2,0,0]=4 14386 B17R1.995 CCOC(=O)CCCCNCC1CCCOC1 34a_100000720124_100000750268 [0,1,0,1,0,0|2,0,0]=4 14387 B17R1.995 CCOC(=O)CCCCNCC1CCOCC1 2230a_100000746373_100000750268 [0,1,0,1,0,0|2,0,0]=4 14388 B17R1.995 CCOC(=O)CCCCNCC1CCOCC1 34a_100000746373_100000750268 [0,1,0,1,0,0|2,0,0]=4 14389 B17R1.995 CCOC(=O)CCCCNCC1CCSCC1 2230a_100015188806_100000750268 [0,1,0,1,0,0|2,0,0]=4 14390 B17R1.995 CCOC(=O)CCCCNCC1CCSCC1 34a_100015188806_100000750268 [0,1,0,1,0,0|2,0,0]=4 14391 B17R1.995 CCOC(=O)CCCCOCC1CCCCC1 34a_100000212181_100000750268 [0,1,0,1,0,0|1,0,0]=3 14392 B17R1.995 CCOC(=O)CCCCOCC1CCCCC1 7a_100000212181_100000750268 [0,1,0,1,0,0|1,0,0]=3 14393 B17R1.995 CCOC(=O)CCCCOCC1CCCCN1 34a_100000210821_100000750268 [0,1,0,1,0,0|2,0,0]=4 14394 B17R1.995 CCOC(=O)CCCCOCC1CCCCO1 34a_100000211370_100000750268 [0,1,0,1,0,0|2,0,0]=4 14395 B17R1.995 CCOC(=O)CCCCOCC1CCCCO1 7a_100000211370_100000750268 [0,1,0,1,0,0|2,0,0]=4 14396 B17R1.995 CCOC(=O)CCCCOCC1CCCNC1 34a_100000211344_100000750268 [0,1,0,1,0,0|2,0,0]=4 14397 B17R1.995 CCOC(=O)CCCCOCC1CCCOC1 34a_100000741520_100000750268 [0,1,0,1,0,0|2,0,0]=4 14398 B17R1.995 CCOC(=O)CCCCOCC1CCNCC1 34a_100000738675_100000750268 [0,1,0,1,0,0|2,0,0]=4 14399 B17R1.995 CCOC(=O)CCCCOCC1CCOCC1 34a_100000749013_100000750268 [0,1,0,1,0,0|2,0,0]=4 14400 B17R1.995 CCOC(=O)CCCCOCC1CCSCC1 34a_100000070558_100000750268 [0,1,0,1,0,0|2,0,0]=4 14401 B17R1.995 CCOC(=O)CCCCOCC1CCSCC1 7a_100000070558_100000750268 [0,1,0,1,0,0|2,0,0]=4 14402 B17R1.995 CCOC(=O)CCCCSCC1CCCCC1 62a_100000211423_100000750268 [0,1,0,1,0,0|1,0,0]=3 14403 B17R1.995 CCOC(=O)CCCCSCC1CCCCC1 62a_100000750268_100000211423 [0,1,0,1,0,0|1,0,0]=3 14404 B17R1.995 CCOC(=O)CCCCSCC1CCCCO1 62a_100000211543_100000750268 [0,1,0,1,0,0|2,0,0]=4 14405 B17R1.995 CCOC(=O)CCCCSCC1CCCCO1 62a_100000750268_100000211543 [0,1,0,1,0,0|2,0,0]=4 14406 B17R1.995 CCOC(=O)CCCCSCC1CCCOC1 62a_100000741521_100000750268 [0,1,0,1,0,0|2,0,0]=4 14407 B17R1.995 CCOC(=O)CCCCSCC1CCCOC1 62a_100000750268_100000741521 [0,1,0,1,0,0|2,0,0]=4 14408 B17R1.995 CCOC(=O)CCCCSCC1CCOCC1 62a_100000750268_100000749018 [0,1,0,1,0,0|2,0,0]=4 14409 B17R1.995 CCOC(=O)CCCCSCC1CCOCC1 62a_100000754603_100000750268 [0,1,0,1,0,0|2,0,0]=4 14410 B17R1.995 CCOC(=O)CCCNCCC1CCCCC1 2230a_100000738074_100009991533 [0,1,0,1,0,0|1,0,0]=3 14411 B17R1.995 CCOC(=O)CCCNCCC1CCCCC1 34a_100000738074_100009991533 [0,1,0,1,0,0|1,0,0]=3 14412 B17R1.995 CCOC(=O)CCCNCCC1CCCCO1 2230a_100015183643_100009991533 [0,1,0,1,0,0|2,0,0]=4 14413 B17R1.995 CCOC(=O)CCCNCCC1CCCCO1 34a_100015183643_100009991533 [0,1,0,1,0,0|2,0,0]=4 14414 B17R1.995 CCOC(=O)CCCNCCC1CCOCC1 2230a_100000755988_100009991533 [0,1,0,1,0,0|2,0,0]=4 14415 B17R1.995 CCOC(=O)CCCNCCC1CCOCC1 34a_100000755988_100009991533 [0,1,0,1,0,0|2,0,0]=4 14416 B17R1.995 CCOC(=O)CCCOCCC1CCCCC1 34a_100011217863_100009991533 [0,1,0,1,0,0|1,0,0]=3 14417 B17R1.995 CCOC(=O)CCCOCCC1CCCCC1 7a_100011217863_100011215271 [0,1,0,1,0,0|1,0,0]=3 14418 B17R1.995 CCOC(=O)CCCOCCC1CCCCC1 7a_100012001163_100011273959 [0,1,0,1,0,0|1,0,0]=3 14419 B17R1.995 CCOC(=O)CCCOCCC1CCCCN1 34a_100000211664_100009991533 [0,1,0,1,0,0|2,0,0]=4 14420 B17R1.995 CCOC(=O)CCCOCCC1CCCNC1 34a_100000752241_100009991533 [0,1,0,1,0,0|2,0,0]=4 14421 B17R1.995 CCOC(=O)CCCOCCC1CCNCC1 34a_100015190746_100009991533 [0,1,0,1,0,0|2,0,0]=4 14422 B17R1.995 CCOC(=O)CCCOCCC1CCOCC1 34a_100011933979_100009991533 [0,1,0,1,0,0|2,0,0]=4 14423 B17R1.995 CCOC(=O)CCCOCCC1CCOCC1 7a_100011933979_100011215271 [0,1,0,1,0,0|2,0,0]=4 14424 B17R1.995 CCOC(=O)CCCOCCC1CCOCC1 7a_100012001163_100011934994 [0,1,0,1,0,0|2,0,0]=4 14425 B17R1.995 CCOC(=O)CCCOCCN1CCCCC1 7a_100012001163_100000739454 [0,1,0,1,0,0|2,0,0]=4 14426 B17R1.995 CCOC(=O)CCCOCOC1CCCCC1 7a_100012001163_100011935260 [0,1,0,1,0,0|2,0,0]=4 14427 B17R1.995 CCOC(=O)CCCSCCC1CCCCC1 62a_100009991533_100012355289 [0,1,0,1,0,0|1,0,0]=3 14428 B17R1.995 CCOC(=O)CCCSCCC1CCCCC1 62a_100012355289_100009991533 [0,1,0,1,0,0|1,0,0]=3 14429 B17R1.995 CCOC(=O)CCCSCCC1CCOCC1 62a_100009991533_100011934994 [0,1,0,1,0,0|2,0,0]=4 14430 B17R1.995 CCOC(=O)CCCSCCC1CCOCC1 62a_100011934994_100009991533 [0,1,0,1,0,0|2,0,0]=4 14431 B17R1.995 CCOC(=O)CCCSCCN1CCCCC1 62a_100000739454_100009991533 [0,1,0,1,0,0|2,0,0]=4 14432 B17R1.995 CCOC(=O)CCCSCCN1CCCCC1 62a_100009991533_100000739454 [0,1,0,1,0,0|2,0,0]=4 14433 B17R1.995 CCOC(=O)CCCSCOC1CCCCC1 62a_100009991533_100011935260 [0,1,0,1,0,0|2,0,0]=4 14434 B17R1.995 CCOC(=O)CCCSCOC1CCCCC1 62a_100011935260_100009991533 [0,1,0,1,0,0|2,0,0]=4 14435 B17R1.995 CCOC(=O)CCNCCCC1CCCCC1 2230a_100011211642_100011206558 [0,1,0,1,0,0|1,0,0]=3 14436 B17R1.995 CCOC(=O)CCNCCCC1CCCCC1 34a_100011211642_100000765890 [0,1,0,1,0,0|1,0,0]=3 14437 B17R1.995 CCOC(=O)CCNCCOC1CCCCC1 34a_100015206981_100000765890 [0,1,0,1,0,0|2,0,0]=4 14438 B17R1.995 CCOC(=O)CCOCCCC1CCCCC1 34a_100000198086_100000765890 [0,1,0,1,0,0|1,0,0]=3 14439 B17R1.995 CCOC(=O)CCOCCCC1CCCCC1 7a_100000198086_100011206558 [0,1,0,1,0,0|1,0,0]=3 14440 B17R1.995 CCOC(=O)CCOCCCC1CCCCN1 34a_100011934581_100000765890 [0,1,0,1,0,0|2,0,0]=4 14441 B17R1.995 CCOC(=O)CCOCCCC1CCCNC1 34a_100150707839_100000765890 [0,1,0,1,0,0|2,0,0]=4 14442 B17R1.995 CCOC(=O)CCOCCCC1CCNCC1 34a_100016988962_100000765890 [0,1,0,1,0,0|2,0,0]=4 14443 B17R1.995 CCOC(=O)CCOCCCN1CCCCC1 34a_100000212458_100000765890 [0,1,0,1,0,0|2,0,0]=4 14444 B17R1.995 CCOC(=O)CCOCCNC1CCCCC1 34a_100000200466_100000765890 [0,1,0,1,0,0|2,0,0]=4 14445 B17R1.995 CCOC(=O)CCOCCOC1CCCCC1 34a_100011249652_100000765890 [0,1,0,1,0,0|2,0,0]=4 14446 B17R1.995 CCOC(=O)CCOCCOC1CCCCC1 7a_100011249652_100011206558 [0,1,0,1,0,0|2,0,0]=4 14447 B17R1.995 CCOC(=O)CCSCCCC1CCCCC1 62a_100000765890_100011713725 [0,1,0,1,0,0|1,0,0]=3 14448 B17R1.995 CCOC(=O)CCSCCCC1CCCCC1 62a_100011713725_100000765890 [0,1,0,1,0,0|1,0,0]=3 14449 B17R1.995 CCOC(=O)CCSCCCN1CCCCC1 62a_100000765890_100000007876 [0,1,0,1,0,0|2,0,0]=4 14450 B17R1.995 CCOC(=O)CCSCCCN1CCCCC1 62a_100132302099_100000765890 [0,1,0,1,0,0|2,0,0]=4 14451 B17R1.995 CCOC(=O)CCSCCOC1CCCCC1 62a_100000765890_100011211530 [0,1,0,1,0,0|2,0,0]=4 14452 B17R1.995 CCOC(=O)CCSCCOC1CCCCC1 62a_100011211530_100000765890 [0,1,0,1,0,0|2,0,0]=4 14453 B17R1.995 CCOC(=O)CNCCCOC1CCCCC1 34a_100000205933_100000188475 [0,1,0,1,0,0|2,0,0]=4 14454 B17R1.995 CCOC(=O)COCCCCC1CCCCC1 34a_100011215267_100000188475 [0,1,0,1,0,0|1,0,0]=3 14455 B17R1.995 CCOC(=O)COCCCCC1CCCCC1 7a_100011215267_100000188475 [0,1,0,1,0,0|1,0,0]=3 14456 B17R1.995 CCOC(=O)COCCCCC1CCNCC1 34a_100016989291_100000188475 [0,1,0,1,0,0|2,0,0]=4 14457 B17R1.995 CCOC(=O)COCCCNC1CCCCC1 2230a_100000182618_100009893628 [0,1,0,1,0,0|2,0,0]=4 14458 B17R1.995 CCOC(=O)COCCCNC1CCCCC1 34a_100000182618_100009893628 [0,1,0,1,0,0|2,0,0]=4 14459 B17R1.995 CCOC(=O)COCCCOC1CCCCC1 34a_100000210231_100009893628 [0,1,0,1,0,0|2,0,0]=4 14460 B17R1.995 CCOC(=O)COCCCOC1CCCCC1 7a_100000210231_100009893628 [0,1,0,1,0,0|2,0,0]=4 14461 B17R1.995 CCOC(=O)COCCCSC1CCCCC1 62a_100000210327_100009893628 [0,1,0,1,0,0|2,0,0]=4 14462 B17R1.995 CCOC(=O)COCCCSC1CCCCC1 62a_100009893628_100000210327 [0,1,0,1,0,0|2,0,0]=4 14463 B17R1.995 CCOC(=O)COCCNCC1CCCCC1 2230a_100000210473_100000088970 [0,1,0,1,0,0|2,0,0]=4 14464 B17R1.995 CCOC(=O)COCCNCC1CCCCC1 34a_100000210473_100000088970 [0,1,0,1,0,0|2,0,0]=4 14465 B17R1.995 CCOC(=O)COCCOCC1CCCCC1 34a_100000212181_100000088970 [0,1,0,1,0,0|2,0,0]=4 14466 B17R1.995 CCOC(=O)COCCOCC1CCCCC1 7a_100000212181_100000088970 [0,1,0,1,0,0|2,0,0]=4 14467 B17R1.995 CCOC(=O)COCCSCC1CCCCC1 62a_100000088970_100000211423 [0,1,0,1,0,0|2,0,0]=4 14468 B17R1.995 CCOC(=O)COCCSCC1CCCCC1 62a_100000211423_100000088970 [0,1,0,1,0,0|2,0,0]=4 14469 B17R1.995 CCOC(=O)CSCCOCC1CCCCC1 7a_200000230590_100000211423 [0,1,0,1,0,0|2,0,0]=4 14470 B17R1.995 CCOC(=O)NCCOCCC1CCCCC1 34a_100000158857_100011209188 [0,1,0,1,0,0|2,0,0]=4 14471 B17R1.995 CCOC(=O)NCCOCCC1CCCCC1 7a_100011217863_200011445536 [0,1,0,1,0,0|2,0,0]=4 14472 B17R1.995 CCOC(=O)NCCSCCC1CCCCC1 62a_100012355289_200011445536 [0,1,0,1,0,0|2,0,0]=4 14473 B17R1.995 CCOC(=O)OCSCCCC1CCCCC1 62a_100011713725_100000075025 [0,1,0,1,0,0|2,0,0]=4 14474 B17R1.995 CNNC(=O)NCCCCCN1CCCCC1 273464a_100000754421_100016993582 [0,1,0,1,0,0|2,0,0]=4 14475 B17R1.995 CNNC(=O)NCCCCCN1CCCCC1 512a_100000754421_100016993582 [0,1,0,1,0,0|2,0,0]=4 14476 B17R1.995 CNNC(=O)NCCCCCN1CCCCC1 512a_100016993582_100000754421 [0,1,0,1,0,0|2,0,0]=4 14477 B17R1.995 O=C(CNCCCOC1CCCCC1)NCO 34a_100000205933_100000185155 [0,1,0,1,0,0|2,0,0]=4 14478 B17R1.995 O=C(COCCCCC1CCCCC1)NCO 34a_100011215267_100000185155 [0,1,0,1,0,0|1,0,0]=3 14479 B17R1.995 O=C(COCCCCC1CCCCC1)NCO 7a_100011215267_100000185155 [0,1,0,1,0,0|1,0,0]=3 14480 B17R1.995 O=C(COCCCCC1CCNCC1)NCO 34a_100016989291_100000185155 [0,1,0,1,0,0|2,0,0]=4 14481 B17R1.1293 CCNC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100000737597 [0,1,0,1,0,0|1,0,0]=3 14482 B17R1.1293 CCNC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100000737597 [0,1,0,1,0,0|1,0,0]=3 14483 B17R1.1293 CCNC(=O)CCN1CCCCC1CCOC 2230a_100015186528_100000737597 [0,1,0,1,0,0|1,0,0]=3 14484 B17R1.1293 CCNC(=O)CCN1CCCCC1CCOC 269982a_100015186528_100000737597 [0,1,0,1,0,0|1,0,0]=3 14485 B17R1.1293 CCNC(=O)CNC1CCCCC1CCC#N 270004a_100016988866_100000034616 [0,1,0,1,0,0|1,0,1]=4 14486 B17R1.1293 CCOC(=O)CCN1CCCCC1CCCO 2230a_100011934581_100011206558 [0,1,0,1,0,0|2,0,0]=4 14487 B17R1.1293 CCOC(=O)CCN1CCCCC1CCCO 269982a_100011934581_100011206558 [0,1,0,1,0,0|2,0,0]=4 14488 B17R1.1293 CCOC(=O)CCN1CCCCC1CCCO 34a_100011934581_100000765890 [0,1,0,1,0,0|2,0,0]=4 14489 B17R1.1293 CCOC(=O)CCN1CCCCC1CCOC 2230a_100015186528_100011206558 [0,1,0,1,0,0|2,0,0]=4 14490 B17R1.1293 CCOC(=O)CCN1CCCCC1CCOC 269982a_100015186528_100011206558 [0,1,0,1,0,0|2,0,0]=4 14491 B17R1.1293 CCOC(=O)CCN1CCCCC1CCOC 34a_100015186528_100000765890 [0,1,0,1,0,0|2,0,0]=4 14492 B17R1.1425 BrCCCCCCCCCOCC1=NCCN1 34a_100009813782_100000737910 [0,1,0,1,0,0|2,0,0]=4 14493 B17R1.1425 BrCCCCCCCCCOCC1=NCCN1 7a_100009813782_100000737910 [0,1,0,1,0,0|2,0,0]=4 14494 B17R1.1425 CCCCCCCCCCNCC1=NCCN1 34a_100000684558_100000737910 [0,1,0,1,0,0|1,0,0]=3 14495 B17R1.1425 CCCCCCCCCCOCC1=NCCN1 34a_100000210711_100000737910 [0,1,0,1,0,0|1,0,0]=3 14496 B17R1.1425 CCCCCCCCCCOCC1=NCCN1 7a_100000210711_100000737910 [0,1,0,1,0,0|1,0,0]=3 14497 B17R1.1425 CCCCCCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210320 [0,1,0,1,0,0|1,0,1]=4 14498 B17R1.1425 CCCCCCCCCCSCC1=NCCN1 62a_100000737910_100000210320 [0,1,0,1,0,0|1,0,0]=3 14499 B17R1.1425 ClCCCCCCCCCOCC1=NCCN1 34a_100009868337_100000737910 [0,1,0,1,0,0|2,0,0]=4 14500 B17R1.1425 ClCCCCCCCCCOCC1=NCCN1 7a_100009868337_100000737910 [0,1,0,1,0,0|2,0,0]=4 14501 B17R1.1425 NCCCCCCCCCOCC1=NCCN1 34a_100000078944_100000737910 [0,1,0,1,0,0|2,0,0]=4 14502 B17R1.1425 OCCCCCCCCCNCC1=NCCN1 34a_100000078944_100000737910 [0,1,0,1,0,0|2,0,0]=4 14503 B17R1.1425 OCCCCCCCCCSCC1=NCCN1 62a_100000737910_100009813782 [0,1,0,1,0,0|2,0,0]=4 14504 B17R1.1425 OCCCCCCCCCSCC1=NCCN1 62a_100009813782_100000737910 [0,1,0,1,0,0|2,0,0]=4 14505 B17R1.1502 CCCCCC1CCCC1NCC(=O)NCC 270004a_100016988866_200000198059 [0,1,0,1,0,0|0,0,0]=2 14506 B17R1.1661 CCC1CCCCN1CCCNC(=O)NNC 273464a_100011191702_100016993582 [0,1,0,1,0,0|2,0,0]=4 14507 B17R1.1661 CCC1CCCCN1CCCNC(=O)NNC 512a_100016993582_100011191702 [0,1,0,1,0,0|2,0,0]=4 14508 B17R1.1661 CCC1CCCCN1CCNCC(=O)NCO 2230a_100000755458_100000185155 [0,1,0,1,0,0|2,0,0]=4 14509 B17R1.1661 CCC1CCCCN1CCNCC(=O)NCO 34a_100000755458_100000185155 [0,1,0,1,0,0|2,0,0]=4 14510 B17R1.1661 CCCC(=O)CNCCN1CCCCC1CC 2230a_100000755458_100000747444 [0,1,0,1,0,0|2,0,0]=4 14511 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 11a_100011191702_100000211992 [0,1,0,1,0,0|2,0,0]=4 14512 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 1626a_100011191702_100000211992 [0,1,0,1,0,0|2,0,0]=4 14513 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 240690a_100011191702_100000211992 [0,1,0,1,0,0|2,0,0]=4 14514 B17R1.1661 CCCC(=O)NCCCN1CCCCC1CC 527a_100011191702_100000211992 [0,1,0,1,0,0|2,0,0]=4 14515 B17R1.1661 CCNC(=O)CCNCC1CCCCN1CC 2230a_100000754393_100000737597 [0,1,0,1,0,0|1,0,0]=3 14516 B17R1.1661 CCNC(=O)CCOCC1CCCCN1CC 7a_100000225091_100000737597 [0,1,0,1,0,0|1,0,0]=3 14517 B17R1.1661 CCNC(=O)CNCCN1CCCCC1CC 2230a_100000755458_100000183381 [0,1,0,1,0,0|1,0,0]=3 14518 B17R1.1661 CCNC(=O)CNCCN1CCCCC1CC 34a_100000755458_100000183381 [0,1,0,1,0,0|1,0,0]=3 14519 B17R1.1661 CCNC(=O)CNCCN1CCCCC1CO 2230a_100011473795_100000183381 [0,1,0,1,0,0|2,0,0]=4 14520 B17R1.1661 CCNC(=O)CNCCN1CCCCC1CO 34a_100011473795_100000183381 [0,1,0,1,0,0|2,0,0]=4 14521 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CC 2708a_100011191702_100015525214 [0,1,0,1,0,0|1,0,0]=3 14522 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CC 2708a_100015525214_100011191702 [0,1,0,1,0,0|1,0,0]=3 14523 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CC 273464a_100011191702_100015525214 [0,1,0,1,0,0|1,0,0]=3 14524 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CC 273464a_100015525214_100011191702 [0,1,0,1,0,0|1,0,0]=3 14525 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CC 512a_100015525214_100011191702 [0,1,0,1,0,0|1,0,0]=3 14526 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CO 2708a_100015525214_200011473794 [0,1,0,1,0,0|2,0,0]=4 14527 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CO 273464a_100015525214_200011473794 [0,1,0,1,0,0|2,0,0]=4 14528 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CO 273464a_200011473794_100015525214 [0,1,0,1,0,0|2,0,0]=4 14529 B17R1.1661 CCNC(=O)NCCCN1CCCCC1CO 512a_100015525214_200011473794 [0,1,0,1,0,0|2,0,0]=4 14530 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CC 2230a_100000210034_100000750268 [0,1,0,1,0,0|1,0,0]=3 14531 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CC 269982a_100000210034_100000750268 [0,1,0,1,0,0|1,0,0]=3 14532 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CC 34a_100000210034_100000750268 [0,1,0,1,0,0|1,0,0]=3 14533 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CO 2230a_100000210821_100000750268 [0,1,0,1,0,0|2,0,0]=4 14534 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CO 269982a_100000210821_100000750268 [0,1,0,1,0,0|2,0,0]=4 14535 B17R1.1661 CCOC(=O)CCCCN1CCCCC1CO 34a_100000210821_100000750268 [0,1,0,1,0,0|2,0,0]=4 14536 B17R1.1661 CCOC(=O)CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100000750268 [0,1,0,1,0,0|2,0,0]=4 14537 B17R1.1661 CCOC(=O)CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000750268 [0,1,0,1,0,0|2,0,0]=4 14538 B17R1.1661 CCOC(=O)CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000750268 [0,1,0,1,0,0|2,0,0]=4 14539 B17R1.1661 CCOC(=O)CCCNC1CCCCC1OC 34a_100011208099_100009991533 [0,1,0,1,0,0|2,0,0]=4 14540 B17R1.1661 CCOC(=O)CCCOC1CCCCC1CC 34a_100000210738_100009991533 [0,1,0,1,0,0|1,0,0]=3 14541 B17R1.1661 CCOC(=O)CCCOC1CCCCC1CC 7a_100000210738_100011215271 [0,1,0,1,0,0|1,0,0]=3 14542 B17R1.1661 CCOC(=O)CCCOC1CCCCC1CN 34a_100011216029_100009991533 [0,1,0,1,0,0|2,0,0]=4 14543 B17R1.1661 CCOC(=O)CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100009991533 [0,1,0,1,0,0|2,0,0]=4 14544 B17R1.1661 CCOC(=O)CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100009991533 [0,1,0,1,0,0|2,0,0]=4 14545 B17R1.1661 CCOC(=O)CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100011215271 [0,1,0,1,0,0|2,0,0]=4 14546 B17R1.1661 CCOC(=O)CCNCC1CCCCN1CC 2230a_100000754393_100011206558 [0,1,0,1,0,0|2,0,0]=4 14547 B17R1.1661 CCOC(=O)CCNCC1CCCCN1CC 34a_100000754393_100000765890 [0,1,0,1,0,0|2,0,0]=4 14548 B17R1.1661 CCOC(=O)CCOCC1CCCCN1CC 34a_100000225091_100000765890 [0,1,0,1,0,0|2,0,0]=4 14549 B17R1.1661 CCOC(=O)CCOCC1CCCCN1CC 7a_100000225091_100011206558 [0,1,0,1,0,0|2,0,0]=4 14550 B17R1.1661 CCOC(=O)CNCCN1CCCCC1CC 2230a_100000755458_100000188475 [0,1,0,1,0,0|2,0,0]=4 14551 B17R1.1661 CCOC(=O)CNCCN1CCCCC1CC 34a_100000755458_100000188475 [0,1,0,1,0,0|2,0,0]=4 14552 B17R1.1661 CCOC(=O)COCCN1CCCCC1CC 2230a_100000210034_100000088970 [0,1,0,1,0,0|2,0,0]=4 14553 B17R1.1661 CCOC(=O)COCCN1CCCCC1CC 269982a_100000210034_100000088970 [0,1,0,1,0,0|2,0,0]=4 14554 B17R1.1661 CCOC(=O)COCCN1CCCCC1CC 34a_100000210034_100000088970 [0,1,0,1,0,0|2,0,0]=4 14555 B17R1.1661 CCOC(=O)NCCOC1CCCCC1CC 7a_100000210738_200011445536 [0,1,0,1,0,0|2,0,0]=4 14556 B17R1.4148 CCCCCCCCNC1CCC(=O)NC1=O 2230a_100000229939_100000694648 [0,1,0,1,0,0|1,0,1]=4 14557 B17R1.4148 CCCCCCCCNC1CCC(=O)NC1=O 2230a_100000691121_100000210759 [0,1,0,1,0,0|1,0,1]=4 14558 B17R1.4148 CCCCCCCCNC1CCC(=O)NC1=O 34a_100000691121_100000210759 [0,1,0,1,0,0|1,0,1]=4 14559 B17R1.4148 CCCCCCCCOC1CCC(=O)NC1=O 7a_100000210232_100000694648 [0,1,0,1,0,0|1,0,1]=4 14560 B17R1.4148 CCCCCCCCSC1CCC(=O)NC1=O 62a_100000210759_100000694648 [0,1,0,1,0,0|1,0,1]=4 14561 B17R1.4148 CCCCCCCCSC1CCC(=O)NC1=O 62a_100000694648_100000210317 [0,1,0,1,0,0|1,0,1]=4 14562 B17R1.4148 CCCCCCCNCC1CCC(=CC1C)C 269862a_100000229938_100000075207 [0,1,0,1,0,0|2,0,0]=4 14563 B17R1.5241 C#CCCCCCCCOCC1CCNC1=O 34a_100000133458_100153394163 [0,1,0,1,0,0|0,0,2]=4 14564 B17R1.5241 C=CCCCCCCCCNC1CCNC1=O 2230a_100016995588_100011933949 [0,1,0,1,0,0|0,0,2]=4 14565 B17R1.5241 C=CCCCCCCCCNC1CCNC1=O 34a_100016995588_100011933949 [0,1,0,1,0,0|0,0,2]=4 14566 B17R1.5241 C=CCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011933949 [0,1,0,1,0,0|0,0,2]=4 14567 B17R1.5241 C=CCCCCCCCOCC1CCNC1=O 34a_100000133458_100012355270 [0,1,0,1,0,0|0,0,2]=4 14568 B17R1.5241 CCC#CCCCCCCNC1CCNC1=O 2230a_100016995588_200000036426 [0,1,0,1,0,0|0,0,2]=4 14569 B17R1.5241 CCC#CCCCCCCNC1CCNC1=O 34a_100016995588_200000036426 [0,1,0,1,0,0|0,0,2]=4 14570 B17R1.5241 CCC#CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_200000036426 [0,1,0,1,0,0|0,0,2]=4 14571 B17R1.5241 CCCCC#CCCCOCC1CCNC1=O 34a_100000133458_200000047210 [0,1,0,1,0,0|0,0,2]=4 14572 B17R1.5241 CCCCCCCCCCNC1CCCC1=O 2230a_100000684558_100000211823 [0,1,0,1,0,0|1,0,0]=3 14573 B17R1.5241 CCCCCCCCCCNC1CCCC1=O 34a_100000684558_100000709159 [0,1,0,1,0,0|1,0,0]=3 14574 B17R1.5241 CCCCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210320 [0,1,0,1,0,0|0,0,0]=2 14575 B17R1.5241 CCCCCCCCCCNC1CCNC1=O 34a_100016995588_100000210320 [0,1,0,1,0,0|0,0,0]=2 14576 B17R1.5241 CCCCCCCCCCNC1CCOC1=O 2230a_100000684558_100000211211 [0,1,0,1,0,0|1,0,0]=3 14577 B17R1.5241 CCCCCCCCCCNC1CCOC1=O 34a_100000684558_100000211211 [0,1,0,1,0,0|1,0,0]=3 14578 B17R1.5241 CCCCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210320 [0,1,0,1,0,0|1,0,0]=3 14579 B17R1.5241 CCCCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210320 [0,1,0,1,0,0|1,0,0]=3 14580 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 34a_100000210711_100000709159 [0,1,0,1,0,0|1,0,0]=3 14581 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 34a_200000719330_100000210320 [0,1,0,1,0,0|1,0,0]=3 14582 B17R1.5241 CCCCCCCCCCOC1CCCC1=O 7a_100000210711_100000211823 [0,1,0,1,0,0|1,0,0]=3 14583 B17R1.5241 CCCCCCCCCCOC1CCOC1=O 34a_100000210711_100000211211 [0,1,0,1,0,0|1,0,0]=3 14584 B17R1.5241 CCCCCCCCCCOC1CCOC1=O 7a_100000210711_100000211211 [0,1,0,1,0,0|1,0,0]=3 14585 B17R1.5241 CCCCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210320 [0,1,0,1,0,0|0,0,0]=2 14586 B17R1.5241 CCCCCCCCCCSC1CCCC1=O 62a_100000211823_100000210320 [0,1,0,1,0,0|1,0,0]=3 14587 B17R1.5241 CCCCCCCCCCSC1CCOC1=O 62a_100000211211_100000210320 [0,1,0,1,0,0|1,0,0]=3 14588 B17R1.5241 CCCCCCCCCOCC1=CCCC1=O 34a_100000087531_100011214924 [0,1,0,1,0,0|2,0,0]=4 14589 B17R1.5241 CCCCCCCCCOCC1CCNC1=O 34a_100000133458_100011214924 [0,1,0,1,0,0|0,0,0]=2 14590 B17R1.5241 CCCCCCCCCSCN1CCCC1=O 62a_100000026320_100000210670 [0,1,0,1,0,0|2,0,0]=4 14591 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 2230a_100000229939_100000739059 [0,1,0,1,0,0|2,0,0]=4 14592 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210759 [0,1,0,1,0,0|2,0,0]=4 14593 B17R1.5241 CCCCCCCCNCCN1CCCC1=O 34a_100000229939_100000739059 [0,1,0,1,0,0|2,0,0]=4 14594 B17R1.5241 CCCCCCCCNCCN1CCNC1=O 2230a_100000229939_100000090651 [0,1,0,1,0,0|1,0,0]=3 14595 B17R1.5241 CCCCCCCCNCCN1CCNC1=O 2230a_100011207550_100000210759 [0,1,0,1,0,0|1,0,0]=3 14596 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 34a_100000210232_100000739059 [0,1,0,1,0,0|2,0,0]=4 14597 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 34a_100000211209_100000210759 [0,1,0,1,0,0|2,0,0]=4 14598 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 7a_100000210232_100000739059 [0,1,0,1,0,0|2,0,0]=4 14599 B17R1.5241 CCCCCCCCOCCN1CCCC1=O 7a_100000211209_100000210759 [0,1,0,1,0,0|2,0,0]=4 14600 B17R1.5241 CCCCCCCCOCCN1CCNC1=O 34a_100000216532_100000210759 [0,1,0,1,0,0|1,0,0]=3 14601 B17R1.5241 CCCCCCCCOCCN1CCNC1=O 7a_100000210232_100000090651 [0,1,0,1,0,0|1,0,0]=3 14602 B17R1.5241 CCCCCCCCSCCN1CCCC1=O 62a_100000210759_100000739059 [0,1,0,1,0,0|2,0,0]=4 14603 B17R1.5241 CCCCCCCCSCCN1CCCC1=O 62a_100000739059_100000210317 [0,1,0,1,0,0|2,0,0]=4 14604 B17R1.5241 CCCCCCCCSCCN1CCNC1=O 62a_100000090651_100000210317 [0,1,0,1,0,0|1,0,0]=3 14605 B17R1.5241 CCCCCCCCSCCN1CCNC1=O 62a_100000210759_100000090651 [0,1,0,1,0,0|1,0,0]=3 14606 B17R1.5241 CCCCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210681 [0,1,0,1,0,0|2,0,0]=4 14607 B17R1.5241 CCCCCCCNCCCN1CCCC1=O 34a_100000210347_100000210614 [0,1,0,1,0,0|2,0,0]=4 14608 B17R1.5241 CCCCCCCOCCCN1CCCC1=O 34a_100011216539_100000210614 [0,1,0,1,0,0|2,0,0]=4 14609 B17R1.5241 CCCCCCCOCCCN1CCCC1=O 7a_100011216539_100000210614 [0,1,0,1,0,0|2,0,0]=4 14610 B17R1.5241 CCCCCOCCOCCN1CCNC1=O 7a_100011215259_100000090651 [0,1,0,1,0,0|2,0,0]=4 14611 B17R1.5241 CCCCOCCCNCCN1CCNC1=O 2230a_200000211371_100000090651 [0,1,0,1,0,0|2,0,0]=4 14612 B17R1.5241 CCCCOCCCOCCN1CCNC1=O 7a_200011215613_100000090651 [0,1,0,1,0,0|2,0,0]=4 14613 B17R1.5241 COCCCCCCNCCN1CCNC1=O 2230a_100011207550_100011998445 [0,1,0,1,0,0|2,0,0]=4 14614 B17R1.5241 COCCCCCCOCCN1CCNC1=O 34a_100000216532_100011998445 [0,1,0,1,0,0|2,0,0]=4 14615 B17R1.5241 COCCCCCCOCCN1CCNC1=O 7a_200012092642_100000090651 [0,1,0,1,0,0|2,0,0]=4 14616 B17R1.5241 COCCCCCCSCCN1CCNC1=O 62a_100000090651_100011998445 [0,1,0,1,0,0|2,0,0]=4 14617 B17R1.5241 COCCCCCCSCCN1CCNC1=O 62a_100011998445_100000090651 [0,1,0,1,0,0|2,0,0]=4 14618 B17R1.5241 NCCCCCCCCCOC1CCCC1=O 34a_100000078944_100000709159 [0,1,0,1,0,0|2,0,0]=4 14619 B17R1.5241 NCCCCCCCCCOC1CCOC1=O 34a_100000078944_100000211211 [0,1,0,1,0,0|2,0,0]=4 14620 B17R1.5241 O=C1CCCC1NCCCCCCCCCO 2230a_100000078944_100000211823 [0,1,0,1,0,0|2,0,0]=4 14621 B17R1.5241 O=C1CCCC1NCCCCCCCCCO 34a_100000078944_100000709159 [0,1,0,1,0,0|2,0,0]=4 14622 B17R1.5241 O=C1CCCC1OCCCCCCCCCBr 34a_100009813782_100000709159 [0,1,0,1,0,0|2,0,0]=4 14623 B17R1.5241 O=C1CCCC1OCCCCCCCCCBr 7a_100009813782_100000211823 [0,1,0,1,0,0|2,0,0]=4 14624 B17R1.5241 O=C1CCCC1OCCCCCCCCCCl 34a_100009868337_100000709159 [0,1,0,1,0,0|2,0,0]=4 14625 B17R1.5241 O=C1CCCC1OCCCCCCCCCCl 7a_100009868337_100000211823 [0,1,0,1,0,0|2,0,0]=4 14626 B17R1.5241 O=C1CCCC1OCCCCCCCCCO 34a_200000719330_100009813782 [0,1,0,1,0,0|2,0,0]=4 14627 B17R1.5241 O=C1CCCC1SCCCCCCCCCO 62a_100000211823_100009813782 [0,1,0,1,0,0|2,0,0]=4 14628 B17R1.5241 O=C1CCCC1SCCCCCCCCCO 62a_100009813782_100000211823 [0,1,0,1,0,0|2,0,0]=4 14629 B17R1.5241 O=C1NCCC1COCCCCCCCCO 34a_100000133458_100000033203 [0,1,0,1,0,0|1,0,0]=3 14630 B17R1.5241 O=C1NCCC1NCCCCCCCCCO 2230a_100016995588_100009813782 [0,1,0,1,0,0|1,0,0]=3 14631 B17R1.5241 O=C1NCCC1NCCCCCCCCCO 34a_100016995588_100009813782 [0,1,0,1,0,0|1,0,0]=3 14632 B17R1.5241 O=C1NCCN1CCNCCCCCCCO 2230a_100011207550_100000760002 [0,1,0,1,0,0|2,0,0]=4 14633 B17R1.5241 O=C1NCCN1CCNCCCCCCCO 2230a_100011996573_100000090651 [0,1,0,1,0,0|2,0,0]=4 14634 B17R1.5241 O=C1NCCN1CCOCCCCCCCBr 7a_100000760002_100000090651 [0,1,0,1,0,0|2,0,0]=4 14635 B17R1.5241 O=C1NCCN1CCOCCCCCCCO 34a_100000216532_100000760002 [0,1,0,1,0,0|2,0,0]=4 14636 B17R1.5241 O=C1NCCN1CCSCCCCCCCO 62a_100000090651_100000760002 [0,1,0,1,0,0|2,0,0]=4 14637 B17R1.5241 O=C1NCCN1CCSCCCCCCCO 62a_100000760002_100000090651 [0,1,0,1,0,0|2,0,0]=4 14638 B17R1.5241 O=C1NCC[C@@H]1OCCCCCCCCCO 34a_100000688343_100009813782 [0,1,0,1,0,0|1,0,0]=3 14639 B17R1.5241 O=C1NOC[C@H]1NCCCCCCCCCO 2230a_100000765999_100009813782 [0,1,0,1,0,0|2,0,0]=4 14640 B17R1.5241 O=C1NOC[C@H]1NCCCCCCCCCO 34a_100000765999_100009813782 [0,1,0,1,0,0|2,0,0]=4 14641 B17R1.5241 O=C1OCCC1NCCCCCCCCCO 2230a_100000078944_100000211211 [0,1,0,1,0,0|2,0,0]=4 14642 B17R1.5241 O=C1OCCC1NCCCCCCCCCO 34a_100000078944_100000211211 [0,1,0,1,0,0|2,0,0]=4 14643 B17R1.5241 O=C1OCCC1OCCCCCCCCCBr 34a_100009813782_100000211211 [0,1,0,1,0,0|2,0,0]=4 14644 B17R1.5241 O=C1OCCC1OCCCCCCCCCBr 7a_100009813782_100000211211 [0,1,0,1,0,0|2,0,0]=4 14645 B17R1.5241 O=C1OCCC1OCCCCCCCCCCl 34a_100009868337_100000211211 [0,1,0,1,0,0|2,0,0]=4 14646 B17R1.5241 O=C1OCCC1OCCCCCCCCCCl 7a_100009868337_100000211211 [0,1,0,1,0,0|2,0,0]=4 14647 B17R1.5241 O=C1OCCC1SCCCCCCCCCO 62a_100000211211_100009813782 [0,1,0,1,0,0|2,0,0]=4 14648 B17R1.5241 O=C1OCCC1SCCCCCCCCCO 62a_100009813782_100000211211 [0,1,0,1,0,0|2,0,0]=4 14649 B17R1.5255 CCCCC1CCCC1NCCC(=O)NCC 269862a_100025743525_100000750825 [0,1,0,1,0,0|0,0,0]=2 14650 B17R1.5255 CCCCC1CCCC1NCCC(=O)NCC 270004a_100025743525_100000750825 [0,1,0,1,0,0|0,0,0]=2 14651 B17R1.5255 CCNC(=O)CCNC1CCCC1CCC#N 270004a_100025743525_100000073560 [0,1,0,1,0,0|1,0,1]=4 14652 B17R1.6374 CCCC(=O)CN1CCCCC1CCCOC 2230a_100011804088_100000747444 [0,1,0,1,0,0|2,0,0]=4 14653 B17R1.6374 CCCC(=O)CN1CCCCC1CCCOC 269982a_100011804088_100000747444 [0,1,0,1,0,0|2,0,0]=4 14654 B17R1.6374 CCCCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210326 [0,1,0,1,0,0|1,0,0]=3 14655 B17R1.6374 CCCCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210215 [0,1,0,1,0,0|1,0,0]=3 14656 B17R1.6374 CCNC(=O)CN1CCCCC1CCCOC 2230a_100011804088_100000183381 [0,1,0,1,0,0|1,0,0]=3 14657 B17R1.6374 CCNC(=O)CN1CCCCC1CCCOC 269982a_100011804088_100000183381 [0,1,0,1,0,0|1,0,0]=3 14658 B17R1.6374 CCNC(=O)CN1CCCCC1CCCOC 34a_100011804088_100000183381 [0,1,0,1,0,0|1,0,0]=3 14659 B17R1.6374 CCOC(=O)CC1CCCCN1CCCCF 2230a_100116209990_100000729493 [0,1,0,1,0,0|2,0,0]=4 14660 B17R1.6374 CCOC(=O)CC1CCCCN1CCCCF 269982a_100116209990_100000729493 [0,1,0,1,0,0|2,0,0]=4 14661 B17R1.6374 CCOC(=O)CC1CCCCN1CCCCO 2230a_100116209990_100000210776 [0,1,0,1,0,0|2,0,0]=4 14662 B17R1.6374 CCOC(=O)CC1CCCCN1CCCCO 269982a_100116209990_100000210776 [0,1,0,1,0,0|2,0,0]=4 14663 B17R1.6374 CCOC(=O)CC1CCCCN1CCCOC 2230a_100116209990_100000740836 [0,1,0,1,0,0|2,0,0]=4 14664 B17R1.6374 CCOC(=O)CC1CCCCN1CCCOC 269982a_100116209990_100000740836 [0,1,0,1,0,0|2,0,0]=4 14665 B17R1.6374 CCOC(=O)CC1CCCCN1CCSCC 2230a_100116209990_100000757381 [0,1,0,1,0,0|2,0,0]=4 14666 B17R1.6374 CCOC(=O)CC1CCCCN1CCSCC 269982a_100116209990_100000757381 [0,1,0,1,0,0|2,0,0]=4 14667 B17R1.6374 CCOC(=O)CN1CCCCC1CCCOC 2230a_100011804088_100000188475 [0,1,0,1,0,0|2,0,0]=4 14668 B17R1.6374 CCOC(=O)CN1CCCCC1CCCOC 269982a_100011804088_100000188475 [0,1,0,1,0,0|2,0,0]=4 14669 B17R1.6374 CCOC(=O)CN1CCCCC1CCCOC 34a_100011804088_100000188475 [0,1,0,1,0,0|2,0,0]=4 14670 B17R1.6374 CCOCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100011215890 [0,1,0,1,0,0|2,0,0]=4 14671 B17R1.6374 CCOCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100011215890 [0,1,0,1,0,0|2,0,0]=4 14672 B17R1.6374 COCCCC1CCCCN1CC(=O)NCO 2230a_100011804088_100000185155 [0,1,0,1,0,0|2,0,0]=4 14673 B17R1.6374 COCCCC1CCCCN1CC(=O)NCO 269982a_100011804088_100000185155 [0,1,0,1,0,0|2,0,0]=4 14674 B17R1.6374 COCCCC1CCCCN1CC(=O)NCO 34a_100011804088_100000185155 [0,1,0,1,0,0|2,0,0]=4 14675 B17R1.11019 C=CCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011093070 [0,1,0,1,0,0|1,0,1]=4 14676 B17R1.11019 CCCCC#CCCCCCCC(=O)C1CC1 1458a_100000210395_200000043322 [0,1,0,1,0,0|1,0,1]=4 14677 B17R1.11019 CCCCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000759014 [0,1,0,1,0,0|1,0,0]=3 14678 B17R1.11019 CCCCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000759014 [0,1,0,1,0,0|2,0,0]=4 14679 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 11a_200011215754_100000210395 [0,1,0,1,0,0|1,0,0]=3 14680 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 1626a_200011215754_100000210395 [0,1,0,1,0,0|1,0,0]=3 14681 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 240690a_200011215754_100000210395 [0,1,0,1,0,0|1,0,0]=3 14682 B17R1.11019 CCCCCCCCCCCNC(=O)C1CC1 527a_200011215754_100000210395 [0,1,0,1,0,0|1,0,0]=3 14683 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 11a_200011215754_100000701028 [0,1,0,1,0,0|2,0,0]=4 14684 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 1626a_200011215754_100000701028 [0,1,0,1,0,0|2,0,0]=4 14685 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 240690a_200011215754_100000701028 [0,1,0,1,0,0|2,0,0]=4 14686 B17R1.11019 CCCCCCCCCCCNC(=O)C1CO1 527a_200011215754_100000701028 [0,1,0,1,0,0|2,0,0]=4 14687 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 2230a_100000684558_100000746382 [0,1,0,1,0,0|1,0,0]=3 14688 B17R1.11019 CCCCCCCCCCNCC(=O)C1CC1 34a_100000684558_100000746382 [0,1,0,1,0,0|1,0,0]=3 14689 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000210711_100000746382 [0,1,0,1,0,0|1,0,0]=3 14690 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210320 [0,1,0,1,0,0|1,0,0]=3 14691 B17R1.11019 CCCCCCCCCCOCC(=O)C1CC1 7a_100000210711_100000746382 [0,1,0,1,0,0|1,0,0]=3 14692 B17R1.11019 CCCCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210320 [0,1,0,1,0,0|1,0,0]=3 14693 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 2230a_100000212291_100000140896 [0,1,0,1,0,0|2,0,0]=4 14694 B17R1.11019 CCCCCCCCCNCOC(=O)C1CC1 34a_100000212291_100000140896 [0,1,0,1,0,0|2,0,0]=4 14695 B17R1.11019 CCCCCCCCCOCOC(=O)C1CC1 34a_100000210712_100000140896 [0,1,0,1,0,0|2,0,0]=4 14696 B17R1.11019 CCCCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210670 [0,1,0,1,0,0|2,0,0]=4 14697 B17R1.11019 NCCCCCCCCCOCC(=O)C1CC1 34a_100000078944_100000746382 [0,1,0,1,0,0|2,0,0]=4 14698 B17R1.11019 O=C(CCCCCCCCCCCO)C1CC1 1458a_100000210395_100009812471 [0,1,0,1,0,0|1,0,0]=3 14699 B17R1.11019 O=C(CCCCCCCCCCCO)C1CO1 1458a_100000701028_100009812471 [0,1,0,1,0,0|2,0,0]=4 14700 B17R1.11019 O=C(CNCCCCCCCCCO)C1CC1 2230a_100000078944_100000746382 [0,1,0,1,0,0|2,0,0]=4 14701 B17R1.11019 O=C(CNCCCCCCCCCO)C1CC1 34a_100000078944_100000746382 [0,1,0,1,0,0|2,0,0]=4 14702 B17R1.11019 O=C(COCCCCCCCCCBr)C1CC1 34a_100009813782_100000746382 [0,1,0,1,0,0|2,0,0]=4 14703 B17R1.11019 O=C(COCCCCCCCCCBr)C1CC1 7a_100009813782_100000746382 [0,1,0,1,0,0|2,0,0]=4 14704 B17R1.11019 O=C(COCCCCCCCCCCl)C1CC1 34a_100009868337_100000746382 [0,1,0,1,0,0|2,0,0]=4 14705 B17R1.11019 O=C(COCCCCCCCCCCl)C1CC1 7a_100009868337_100000746382 [0,1,0,1,0,0|2,0,0]=4 14706 B17R1.11019 O=C(COCCCCCCCCCO)C1CC1 34a_100000686663_100009813782 [0,1,0,1,0,0|2,0,0]=4 14707 B17R1.11019 O=C(CSCCCCCCCCCO)C1CC1 62a_100000746382_100009813782 [0,1,0,1,0,0|2,0,0]=4 14708 B17R1.11019 O=C(CSCCCCCCCCCO)C1CC1 62a_100009813782_100000746382 [0,1,0,1,0,0|2,0,0]=4 14709 B17R1.11019 O=C(NCCCCCCCCCCO)C1CC1 240690a_100000066964_100000210395 [0,1,0,1,0,0|2,0,0]=4 14710 B17R1.16924 CCCCCCCCCNC1CC(=O)NC1=O 2230a_100102712934_100011214924 [0,1,0,1,0,0|1,0,1]=4 14711 B17R1.16924 CCCCCCCCCNC1CC(OC1=O)C 2230a_100000212291_200000216747 [0,1,0,1,0,0|2,0,0]=4 14712 B17R1.16924 CCCCCCCCCNC1CC(OC1=O)C 34a_100000212291_200000216747 [0,1,0,1,0,0|2,0,0]=4 14713 B17R1.16924 CCCCCCCCCOC1CC(OC1=O)C 34a_100000210712_200000216747 [0,1,0,1,0,0|2,0,0]=4 14714 B17R1.16924 CCCCCCCCCOC1CC(OC1=O)C 7a_100000210712_200000216747 [0,1,0,1,0,0|2,0,0]=4 14715 B17R1.16924 CCCCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210670 [0,1,0,1,0,0|2,0,0]=4 14716 B17R1.17836 CCOC(=O)CCCCCN1CCC1COC 2230a_100015195929_100000755133 [0,1,0,1,0,0|2,0,0]=4 14717 B17R1.17836 CCOC(=O)CCCCCN1CCC1COC 269982a_100015195929_100000755133 [0,1,0,1,0,0|2,0,0]=4 14718 B17R1.17836 CCOC(=O)CCCCCN1CCC1COC 34a_100015195929_100000755133 [0,1,0,1,0,0|2,0,0]=4 14719 B17R1.19162 CCOC(=O)CCCCCCCCN1CCC1 269982a_100000754969_100010175975 [0,1,0,1,0,0|1,0,0]=3 14720 B17R1.19162 CCOC(=O)CCCCCCCNC1CCC1 2230a_100000749019_100009991516 [0,1,0,1,0,0|1,0,0]=3 14721 B17R1.19162 CCOC(=O)CCCCCCCNC1CCC1 34a_100000749019_100009991516 [0,1,0,1,0,0|1,0,0]=3 14722 B17R1.19162 CCOC(=O)CCCCCCCNC1COC1 2230a_100016991112_100009991516 [0,1,0,1,0,0|2,0,0]=4 14723 B17R1.19162 CCOC(=O)CCCCCCCOC1CCC1 34a_100000748187_100009991516 [0,1,0,1,0,0|1,0,0]=3 14724 B17R1.19162 CCOC(=O)CCCCCCCOC1CSC1 7a_100000072292_100009991516 [0,1,0,1,0,0|2,0,0]=4 14725 B17R1.19162 CCOC(=O)CCCCCCNCC1CCC1 2230a_100000738700_100009814379 [0,1,0,1,0,0|1,0,0]=3 14726 B17R1.19162 CCOC(=O)CCCCCCNCC1CCC1 34a_100000738700_100009814379 [0,1,0,1,0,0|1,0,0]=3 14727 B17R1.19162 CCOC(=O)CCCCCCNCC1COC1 2230a_100015281925_100009814379 [0,1,0,1,0,0|2,0,0]=4 14728 B17R1.19162 CCOC(=O)CCCCCCNCC1COC1 34a_100015281925_100009814379 [0,1,0,1,0,0|2,0,0]=4 14729 B17R1.19162 CCOC(=O)CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100009814379 [0,1,0,1,0,0|2,0,0]=4 14730 B17R1.19162 CCOC(=O)CCCCCCNC[C@@H]1CCO1 34a_100020831831_100009814379 [0,1,0,1,0,0|2,0,0]=4 14731 B17R1.19162 CCOC(=O)CCCCCCOCC1CCC1 34a_100000760304_100009814379 [0,1,0,1,0,0|1,0,0]=3 14732 B17R1.19162 CCOC(=O)CCCCCCOCC1CCO1 34a_100000039022_100009814379 [0,1,0,1,0,0|2,0,0]=4 14733 B17R1.19162 CCOC(=O)CCCCCCOCC1CNC1 34a_100016987283_100009814379 [0,1,0,1,0,0|2,0,0]=4 14734 B17R1.19162 CCOC(=O)CCCCCCOCC1COC1 34a_100000060846_100009814379 [0,1,0,1,0,0|2,0,0]=4 14735 B17R1.19162 CCOC(=O)CCCCCCSCC1CCC1 62a_100000763275_100009814379 [0,1,0,1,0,0|1,0,0]=3 14736 B17R1.19162 CCOC(=O)CCCCCCSCC1CCO1 62a_100000103362_100009814379 [0,1,0,1,0,0|2,0,0]=4 14737 B17R1.19162 CCOC(=O)CCCCCCSCC1COC1 62a_100010264016_100009814379 [0,1,0,1,0,0|2,0,0]=4 14738 B17R1.19162 CCOC(=O)CCCCCOCCC1COC1 34a_100009855314_100000755133 [0,1,0,1,0,0|2,0,0]=4 14739 B17R1.21186 CCCC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000747444 [0,1,0,1,0,0|1,0,0]=3 14740 B17R1.21186 CCCC(=O)OCOCC1CCCCCCC1 34a_100011216312_100000034017 [0,1,0,1,0,0|2,0,0]=4 14741 B17R1.21186 CCNC(=O)CCNCC1CC/C=C\CCC1 2230a_100102730862_100000737597 [0,1,0,1,0,0|0,0,2]=4 14742 B17R1.21186 CCNC(=O)CCOCC1CCCCCCC1 7a_100011216312_100000737597 [0,1,0,1,0,0|0,0,0]=2 14743 B17R1.21186 CCNC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000183381 [0,1,0,1,0,0|0,0,0]=2 14744 B17R1.21186 CCNC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000183381 [0,1,0,1,0,0|0,0,0]=2 14745 B17R1.21186 CCOC(=O)CCCCN1CCCCCCC1 2230a_100000211400_100000750268 [0,1,0,1,0,0|1,0,0]=3 14746 B17R1.21186 CCOC(=O)CCCCN1CCCCCCC1 269982a_100000211400_100000750268 [0,1,0,1,0,0|1,0,0]=3 14747 B17R1.21186 CCOC(=O)CCCCN1CCCCCCC1 34a_100000211400_100000750268 [0,1,0,1,0,0|1,0,0]=3 14748 B17R1.21186 CCOC(=O)CCCNC1CCCCCCC1 2230a_100000211152_100009991533 [0,1,0,1,0,0|1,0,0]=3 14749 B17R1.21186 CCOC(=O)CCCNC1CCCCCCC1 34a_100000211152_100009991533 [0,1,0,1,0,0|1,0,0]=3 14750 B17R1.21186 CCOC(=O)CCCOC1CCCCCCC1 34a_100000210054_100009991533 [0,1,0,1,0,0|1,0,0]=3 14751 B17R1.21186 CCOC(=O)CCCOC1CCCCCCC1 7a_100000210054_100011215271 [0,1,0,1,0,0|1,0,0]=3 14752 B17R1.21186 CCOC(=O)CCOCC1CCCCCCC1 34a_100011216312_100000765890 [0,1,0,1,0,0|1,0,0]=3 14753 B17R1.21186 CCOC(=O)CCOCC1CCCCCCC1 7a_100011216312_100011206558 [0,1,0,1,0,0|1,0,0]=3 14754 B17R1.21186 CCOC(=O)CNCCC1CCCCCCC1 2230a_100011532352_100000188475 [0,1,0,1,0,0|1,0,0]=3 14755 B17R1.21186 CCOC(=O)CNCCC1CCCCCCC1 34a_100011532352_100000188475 [0,1,0,1,0,0|1,0,0]=3 14756 B17R1.21186 CCOC(=O)COCCN1CCCCCCC1 2230a_100000211400_100000088970 [0,1,0,1,0,0|2,0,0]=4 14757 B17R1.21186 CCOC(=O)COCCN1CCCCCCC1 269982a_100000211400_100000088970 [0,1,0,1,0,0|2,0,0]=4 14758 B17R1.21186 CCOC(=O)COCCN1CCCCCCC1 34a_100000211400_100000088970 [0,1,0,1,0,0|2,0,0]=4 14759 B17R1.21186 CCOC(=O)NCCOC1CCCCCCC1 7a_100000210054_200011445536 [0,1,0,1,0,0|2,0,0]=4 14760 B17R1.21186 O=C(CNCCC1CCCCCCC1)NCO 2230a_100011532352_100000185155 [0,1,0,1,0,0|1,0,0]=3 14761 B17R1.21186 O=C(CNCCC1CCCCCCC1)NCO 34a_100011532352_100000185155 [0,1,0,1,0,0|1,0,0]=3 14762 B17R1.21317 CCCC(C)CCCOCCN1CCNC1=O 7a_100011713154_100000090651 [0,1,0,1,0,0|2,0,0]=4 14763 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100009814379 [0,1,0,1,0,0|1,0,0]=3 14764 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100009814379 [0,1,0,1,0,0|1,0,0]=3 14765 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@H]1C 2230a_100015189458_100009814379 [0,1,0,1,0,0|1,0,0]=3 14766 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@H]1C 269982a_100015189458_100009814379 [0,1,0,1,0,0|1,0,0]=3 14767 B17R1.21317 CCOC(=O)CCCCCCN1CCC[C@H]1C 34a_100015189458_100009814379 [0,1,0,1,0,0|1,0,0]=3 14768 B17R1.21317 CCOC(=O)CCCCCCN1CCSC1C 2230a_200011216479_100009814379 [0,1,0,1,0,0|2,0,0]=4 14769 B17R1.21317 CCOC(=O)CCCCCCN1CCSC1C 269982a_200011216479_100009814379 [0,1,0,1,0,0|2,0,0]=4 14770 B17R1.21317 CCOC(=O)CCCCCCN1CCSC1C 34a_200011216479_100009814379 [0,1,0,1,0,0|2,0,0]=4 14771 B17R1.21317 CCOC(=O)CCCCCOC1CCCC1C 34a_100011216460_100000755133 [0,1,0,1,0,0|1,0,0]=3 14772 B17R1.21317 CCOC(=O)CCCCCOC1CCCC1C 7a_100011216460_100000755133 [0,1,0,1,0,0|1,0,0]=3 14773 B17R1.21317 CCOC(=O)CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000755133 [0,1,0,1,0,0|2,0,0]=4 14774 B17R1.21317 CCOC(=O)CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000755133 [0,1,0,1,0,0|2,0,0]=4 14775 B17R1.21317 CCOC(=O)CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000755133 [0,1,0,1,0,0|2,0,0]=4 14776 B17R1.21317 CCOC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_100000755133_200016002552 [0,1,0,1,0,0|2,0,0]=4 14777 B17R1.21317 CCOC(=O)CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000755133 [0,1,0,1,0,0|2,0,0]=4 14778 B17R1.21317 CCOC(=O)CCCCOCC1CCCN1C 34a_100000743107_100000750268 [0,1,0,1,0,0|2,0,0]=4 14779 B17R1.21317 CCOC(=O)CCCOCCC1CCCN1C 34a_100011215177_100009991533 [0,1,0,1,0,0|2,0,0]=4 14780 B17R1.21317 CCOC(=O)CCCOCCC1CCCN1C 7a_100011215177_100011215271 [0,1,0,1,0,0|2,0,0]=4 14781 B17R1.21317 CCOC(=O)CCCOCCC1CCCN1C 7a_100012001163_100000005710 [0,1,0,1,0,0|2,0,0]=4 14782 B17R1.21317 CCOC(=O)CCCSCCC1CCCN1C 62a_100000005710_100009991533 [0,1,0,1,0,0|2,0,0]=4 14783 B17R1.21317 CCOC(=O)CCCSCCC1CCCN1C 62a_100009991533_100000005710 [0,1,0,1,0,0|2,0,0]=4 14784 B17R1.21317 CCOC(=O)COCCCOC1CCCC1C 34a_100011216460_100009893628 [0,1,0,1,0,0|2,0,0]=4 14785 B17R1.21317 CCOC(=O)COCCCOC1CCCC1C 7a_100011216460_100009893628 [0,1,0,1,0,0|2,0,0]=4 14786 B17R1.21325 CCOC(=O)CCCCCCCN1CCC1C 269982a_100000755817_100009991516 [0,1,0,1,0,0|1,0,0]=3 14787 B17R1.21325 CCOC(=O)CCCCCCCN1CCC1C 34a_100000755817_100009991516 [0,1,0,1,0,0|1,0,0]=3 14788 B17R1.21375 CCCC(=O)COCCCN1CCCCCC1 7a_100102886287_100000747444 [0,1,0,1,0,0|2,0,0]=4 14789 B17R1.21375 CCCC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100000211992 [0,1,0,1,0,0|2,0,0]=4 14790 B17R1.21375 CCCC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100000211992 [0,1,0,1,0,0|2,0,0]=4 14791 B17R1.21375 CCCC(=O)NCCCCN1CCCCCC1 527a_100011207362_100000211992 [0,1,0,1,0,0|2,0,0]=4 14792 B17R1.21375 CCCC(=O)OCNCCC1CCCCCC1 2230a_100011532351_100000034017 [0,1,0,1,0,0|2,0,0]=4 14793 B17R1.21375 CCCC(=O)OCNCCC1CCCCCC1 34a_100011532351_100000034017 [0,1,0,1,0,0|2,0,0]=4 14794 B17R1.21375 CCNC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100000737597 [0,1,0,1,0,0|0,0,0]=2 14795 B17R1.21375 CCNC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000737597 [0,1,0,1,0,0|1,0,0]=3 14796 B17R1.21375 CCNC(=O)CCSCCN1CCCCCC1 62a_100000737597_100000722644 [0,1,0,1,0,0|1,0,0]=3 14797 B17R1.21375 CCNC(=O)COCCCN1CCCCCC1 34a_100102886287_100000183381 [0,1,0,1,0,0|1,0,0]=3 14798 B17R1.21375 CCNC(=O)COCCCN1CCCCCC1 7a_100102886287_100000183381 [0,1,0,1,0,0|1,0,0]=3 14799 B17R1.21375 CCNC(=O)NCCCCN1CCCCCC1 2708a_100011207362_100015525214 [0,1,0,1,0,0|1,0,0]=3 14800 B17R1.21375 CCNC(=O)NCCCCN1CCCCCC1 2708a_100015525214_100011207362 [0,1,0,1,0,0|1,0,0]=3 14801 B17R1.21375 CCNC(=O)NCCCCN1CCCCCC1 273464a_100011207362_100015525214 [0,1,0,1,0,0|1,0,0]=3 14802 B17R1.21375 CCNC(=O)NCCCCN1CCCCCC1 273464a_100015525214_100011207362 [0,1,0,1,0,0|1,0,0]=3 14803 B17R1.21375 CCNC(=O)NCCCCN1CCCCCC1 512a_100015525214_100011207362 [0,1,0,1,0,0|1,0,0]=3 14804 B17R1.21375 CCOC(=O)CCCCCN1CCCCCC1 2230a_100000185865_100000755133 [0,1,0,1,0,0|1,0,0]=3 14805 B17R1.21375 CCOC(=O)CCCCCN1CCCCCC1 269982a_100000185865_100000755133 [0,1,0,1,0,0|1,0,0]=3 14806 B17R1.21375 CCOC(=O)CCCCCN1CCCCCC1 34a_100000185865_100000755133 [0,1,0,1,0,0|1,0,0]=3 14807 B17R1.21375 CCOC(=O)CCCCCN1CCCOCC1 2230a_100000685342_100000755133 [0,1,0,1,0,0|2,0,0]=4 14808 B17R1.21375 CCOC(=O)CCCCCN1CCCOCC1 269982a_100000685342_100000755133 [0,1,0,1,0,0|2,0,0]=4 14809 B17R1.21375 CCOC(=O)CCCCCN1CCCOCC1 34a_100000685342_100000755133 [0,1,0,1,0,0|2,0,0]=4 14810 B17R1.21375 CCOC(=O)CCCCNC1CCCCCC1 2230a_100000210984_100000750268 [0,1,0,1,0,0|1,0,0]=3 14811 B17R1.21375 CCOC(=O)CCCCNC1CCCCCC1 34a_100000210984_100000750268 [0,1,0,1,0,0|1,0,0]=3 14812 B17R1.21375 CCOC(=O)CCCCOC1CCCCCC1 34a_100000210887_100000750268 [0,1,0,1,0,0|1,0,0]=3 14813 B17R1.21375 CCOC(=O)CCCCOC1CCCCCC1 7a_100000210887_100000750268 [0,1,0,1,0,0|1,0,0]=3 14814 B17R1.21375 CCOC(=O)CCCCSC1CCCCCC1 62a_100000750268_100011217769 [0,1,0,1,0,0|1,0,0]=3 14815 B17R1.21375 CCOC(=O)CCCCSC1CCCCCC1 62a_100011217769_100000750268 [0,1,0,1,0,0|1,0,0]=3 14816 B17R1.21375 CCOC(=O)CCCNCC1CCCCCC1 2230a_100015204231_100009991533 [0,1,0,1,0,0|1,0,0]=3 14817 B17R1.21375 CCOC(=O)CCCNCC1CCCCCC1 34a_100015204231_100009991533 [0,1,0,1,0,0|1,0,0]=3 14818 B17R1.21375 CCOC(=O)CCCOCC1CCCCCC1 34a_100000699130_100009991533 [0,1,0,1,0,0|1,0,0]=3 14819 B17R1.21375 CCOC(=O)CCCOCC1CCCCCC1 7a_100000699130_100011215271 [0,1,0,1,0,0|1,0,0]=3 14820 B17R1.21375 CCOC(=O)CCCOCC1CCCCCC1 7a_100012001163_200000696569 [0,1,0,1,0,0|1,0,0]=3 14821 B17R1.21375 CCOC(=O)CCCSCC1CCCCCC1 62a_100009991533_200000696569 [0,1,0,1,0,0|1,0,0]=3 14822 B17R1.21375 CCOC(=O)CCCSCC1CCCCCC1 62a_200000696569_100009991533 [0,1,0,1,0,0|1,0,0]=3 14823 B17R1.21375 CCOC(=O)CCNCCC1CCCCCC1 2230a_100011532351_100011206558 [0,1,0,1,0,0|1,0,0]=3 14824 B17R1.21375 CCOC(=O)CCNCCC1CCCCCC1 34a_100011532351_100000765890 [0,1,0,1,0,0|1,0,0]=3 14825 B17R1.21375 CCOC(=O)CCOCCN1CCCCCC1 34a_100000238007_100000765890 [0,1,0,1,0,0|2,0,0]=4 14826 B17R1.21375 CCOC(=O)CCSCCN1CCCCCC1 62a_100000722644_100000765890 [0,1,0,1,0,0|2,0,0]=4 14827 B17R1.21375 CCOC(=O)CCSCCN1CCCCCC1 62a_100000765890_100000722644 [0,1,0,1,0,0|2,0,0]=4 14828 B17R1.21375 CCOC(=O)COCCCN1CCCCCC1 2230a_100000185865_100009893628 [0,1,0,1,0,0|2,0,0]=4 14829 B17R1.21375 CCOC(=O)COCCCN1CCCCCC1 269982a_100000185865_100009893628 [0,1,0,1,0,0|2,0,0]=4 14830 B17R1.21375 CCOC(=O)COCCCN1CCCCCC1 34a_100000185865_100009893628 [0,1,0,1,0,0|2,0,0]=4 14831 B17R1.21375 CCOC(=O)COCCCN1CCCCCC1 34a_100102886287_100000188475 [0,1,0,1,0,0|2,0,0]=4 14832 B17R1.21375 CCOC(=O)COCCCN1CCCCCC1 7a_100102886287_100000188475 [0,1,0,1,0,0|2,0,0]=4 14833 B17R1.21375 CCOC(=O)COCCNC1CCCCCC1 2230a_100000210984_100000088970 [0,1,0,1,0,0|2,0,0]=4 14834 B17R1.21375 CCOC(=O)COCCNC1CCCCCC1 34a_100000210984_100000088970 [0,1,0,1,0,0|2,0,0]=4 14835 B17R1.21375 CCOC(=O)COCCOC1CCCCCC1 34a_100000210887_100000088970 [0,1,0,1,0,0|2,0,0]=4 14836 B17R1.21375 CCOC(=O)COCCOC1CCCCCC1 7a_100000210887_100000088970 [0,1,0,1,0,0|2,0,0]=4 14837 B17R1.21375 CCOC(=O)COCCSC1CCCCCC1 62a_100000088970_100011217769 [0,1,0,1,0,0|2,0,0]=4 14838 B17R1.21375 CCOC(=O)COCCSC1CCCCCC1 62a_100011217769_100000088970 [0,1,0,1,0,0|2,0,0]=4 14839 B17R1.21375 CCOC(=O)NCCOCC1CCCCCC1 34a_100000158857_200000696569 [0,1,0,1,0,0|2,0,0]=4 14840 B17R1.21375 CCOC(=O)NCCOCC1CCCCCC1 7a_100000699130_200011445536 [0,1,0,1,0,0|2,0,0]=4 14841 B17R1.21375 CCOC(=O)NCCSCC1CCCCCC1 62a_200000696569_200011445536 [0,1,0,1,0,0|2,0,0]=4 14842 B17R1.21375 CNNC(=O)NCCCCN1CCCCCC1 273464a_100011207362_100016993582 [0,1,0,1,0,0|2,0,0]=4 14843 B17R1.21375 CNNC(=O)NCCCCN1CCCCCC1 512a_100016993582_100011207362 [0,1,0,1,0,0|2,0,0]=4 14844 B17R1.21375 O=C(COCCCN1CCCCCC1)NCO 34a_100102886287_100000185155 [0,1,0,1,0,0|2,0,0]=4 14845 B17R1.21375 O=C(COCCCN1CCCCCC1)NCO 7a_100102886287_100000185155 [0,1,0,1,0,0|2,0,0]=4 14846 B17R1.25106 CCCCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210314 [0,1,0,1,0,0|1,0,0]=3 14847 B17R1.25106 CCCCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210757 [0,1,0,1,0,0|1,0,0]=3 14848 B17R1.25106 CCCCCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210314 [0,1,0,1,0,0|2,0,0]=4 14849 B17R1.25106 CCCCCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210757 [0,1,0,1,0,0|2,0,0]=4 14850 B17R1.25106 CCCCCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210314 [0,1,0,1,0,0|2,0,0]=4 14851 B17R1.25106 CCCCCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210757 [0,1,0,1,0,0|2,0,0]=4 14852 B17R1.25106 CCCCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210326 [0,1,0,1,0,0|1,0,0]=3 14853 B17R1.25106 CCCCOCN1CCCCC1C(=O)OCC 2230a_100016990872_100011995733 [0,1,0,1,0,0|2,0,0]=4 14854 B17R1.25106 CCCCOCN1CCCCC1C(=O)OCC 269982a_100016990872_100011995733 [0,1,0,1,0,0|2,0,0]=4 14855 B17R1.25106 CCCOCCN1CCCCC1C(=O)OCC 2230a_100016990872_100011215938 [0,1,0,1,0,0|2,0,0]=4 14856 B17R1.25106 CCCOCCN1CCCCC1C(=O)OCC 269982a_100016990872_100011215938 [0,1,0,1,0,0|2,0,0]=4 14857 B17R1.25106 CCOC(=O)C1CCCCC1OCCCCF 7a_100000038711_100000729493 [0,1,0,1,0,0|2,0,0]=4 14858 B17R1.25106 CCOC(=O)C1CCCCC1OCCCCO 7a_100000038711_100000210776 [0,1,0,1,0,0|2,0,0]=4 14859 B17R1.25106 CCOC(=O)C1CCCCC1OCCCOC 7a_100000038711_100000740836 [0,1,0,1,0,0|2,0,0]=4 14860 B17R1.25106 CCOC(=O)C1CCCCC1OCCSCC 7a_100000038711_100000757381 [0,1,0,1,0,0|2,0,0]=4 14861 B17R1.25106 CCOC(=O)C1CCCCN1CCCCCF 2230a_100016990872_100000729378 [0,1,0,1,0,0|2,0,0]=4 14862 B17R1.25106 CCOC(=O)C1CCCCN1CCCCCF 269982a_100016990872_100000729378 [0,1,0,1,0,0|2,0,0]=4 14863 B17R1.25106 CCOC(=O)C1CCCCN1CCCCCO 2230a_100016990872_100000746330 [0,1,0,1,0,0|2,0,0]=4 14864 B17R1.25106 CCOC(=O)C1CCCCN1CCCCCO 269982a_100016990872_100000746330 [0,1,0,1,0,0|2,0,0]=4 14865 B17R1.25106 CCOC(=O)C1CCCCN1CCCCOC 2230a_100016990872_100000730899 [0,1,0,1,0,0|2,0,0]=4 14866 B17R1.25106 CCOC(=O)C1CCCCN1CCCCOC 269982a_100016990872_100000730899 [0,1,0,1,0,0|2,0,0]=4 14867 B17R1.25106 CCOCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100012232248 [0,1,0,1,0,0|2,0,0]=4 14868 B17R1.25106 CCOCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100012232248 [0,1,0,1,0,0|2,0,0]=4 14869 B17R1.25106 CCOCCOC1CCCCC1C(=O)OCC 7a_100000038711_100011215890 [0,1,0,1,0,0|2,0,0]=4 14870 B17R1.25295 C#CCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100153394163 [0,1,0,1,0,0|0,0,2]=4 14871 B17R1.25295 C#CCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100153394163 [0,1,0,1,0,0|0,0,2]=4 14872 B17R1.25295 C=CCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100012355270 [0,1,0,1,0,0|0,0,2]=4 14873 B17R1.25295 C=CCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100012355270 [0,1,0,1,0,0|0,0,2]=4 14874 B17R1.25295 CCCCC#CCCCN1CCNC(=O)CC1 2230a_100000698595_200000047210 [0,1,0,1,0,0|0,0,2]=4 14875 B17R1.25295 CCCCC#CCCCN1CCNC(=O)CC1 269982a_100000698595_200000047210 [0,1,0,1,0,0|0,0,2]=4 14876 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100011214924 [0,1,0,1,0,0|0,0,0]=2 14877 B17R1.25295 CCCCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210670 [0,1,0,1,0,0|0,0,0]=2 14878 B17R1.25295 O=C1CCN(CCN1)CCCCCCCCO 2230a_100000698595_100000033203 [0,1,0,1,0,0|1,0,0]=3 14879 B17R1.25295 O=C1CCN(CCN1)CCCCCCCCO 269982a_100000698595_100000033203 [0,1,0,1,0,0|1,0,0]=3 14880 B17R1.29104 C#CCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100012094781 [0,1,0,1,0,0|0,0,2]=4 14881 B17R1.29104 C#CCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100012094781 [0,1,0,1,0,0|0,0,2]=4 14882 B17R1.29104 C#CCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100012094781 [0,1,0,1,0,0|0,0,2]=4 14883 B17R1.29104 C=CCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000700193 [0,1,0,1,0,0|0,0,2]=4 14884 B17R1.29104 C=CCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000700193 [0,1,0,1,0,0|0,0,2]=4 14885 B17R1.29104 C=CCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000700193 [0,1,0,1,0,0|0,0,2]=4 14886 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210681 [0,1,0,1,0,0|0,0,0]=2 14887 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210681 [0,1,0,1,0,0|0,0,0]=2 14888 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210614 [0,1,0,1,0,0|0,0,0]=2 14889 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210681 [0,1,0,1,0,0|1,0,0]=3 14890 B17R1.29104 CCCCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210681 [0,1,0,1,0,0|1,0,0]=3 14891 B17R1.29104 CCCCCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210681 [0,1,0,1,0,0|2,0,0]=4 14892 B17R1.29104 CCCCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210314 [0,1,0,1,0,0|1,0,0]=3 14893 B17R1.29104 CCCCOCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000743108 [0,1,0,1,0,0|1,0,0]=3 14894 B17R1.29104 CCCCOCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000743108 [0,1,0,1,0,0|1,0,0]=3 14895 B17R1.29104 CCCCOCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000743108 [0,1,0,1,0,0|1,0,0]=3 14896 B17R1.29104 CCCCOCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000743108 [0,1,0,1,0,0|2,0,0]=4 14897 B17R1.29104 CCCCOCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000743108 [0,1,0,1,0,0|2,0,0]=4 14898 B17R1.29104 CCCOCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100011215938 [0,1,0,1,0,0|2,0,0]=4 14899 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCC#N 2230a_100020641767_100009813376 [0,1,0,1,0,0|1,0,1]=4 14900 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCC#N 269982a_100020641767_100009813376 [0,1,0,1,0,0|1,0,1]=4 14901 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCC=O 2230a_100020641767_100000139337 [0,1,0,1,0,0|1,0,1]=4 14902 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCC=O 269982a_100020641767_100000139337 [0,1,0,1,0,0|1,0,1]=4 14903 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100020641767_100015922095 [0,1,0,1,0,0|1,0,0]=3 14904 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCCF 269982a_100020641767_100015922095 [0,1,0,1,0,0|1,0,0]=3 14905 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCCF 34a_100020641767_100015922095 [0,1,0,1,0,0|1,0,0]=3 14906 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100020641767_100000766143 [0,1,0,1,0,0|1,0,0]=3 14907 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCCO 269982a_100020641767_100000766143 [0,1,0,1,0,0|1,0,0]=3 14908 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCCCCCO 34a_100020641767_100000766143 [0,1,0,1,0,0|1,0,0]=3 14909 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCOCCOC 2230a_100020641767_100000695917 [0,1,0,1,0,0|2,0,0]=4 14910 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCOCCOC 269982a_100020641767_100000695917 [0,1,0,1,0,0|2,0,0]=4 14911 B17R1.29104 CCNC(=O)[C@@H]1CCCN1CCOCCOC 34a_100020641767_100000695917 [0,1,0,1,0,0|2,0,0]=4 14912 B17R1.29104 CCOC(=O)[C@@H]1CCCN1CCCCCCF 2230a_100000703725_100015922095 [0,1,0,1,0,0|2,0,0]=4 14913 B17R1.29104 CCOC(=O)[C@@H]1CCCN1CCCCCCF 269982a_100000703725_100015922095 [0,1,0,1,0,0|2,0,0]=4 14914 B17R1.29104 CCOC(=O)[C@@H]1CCCN1CCCCCCO 2230a_100000703725_100000766143 [0,1,0,1,0,0|2,0,0]=4 14915 B17R1.29104 CCOC(=O)[C@@H]1CCCN1CCCCCCO 269982a_100000703725_100000766143 [0,1,0,1,0,0|2,0,0]=4 14916 B17R1.29104 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCCCF 7a_200015395474_100000729378 [0,1,0,1,0,0|2,0,0]=4 14917 B17R1.29104 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCCCO 7a_200015395474_100000746330 [0,1,0,1,0,0|2,0,0]=4 14918 B17R1.29104 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCCOC 7a_200015395474_100000730899 [0,1,0,1,0,0|2,0,0]=4 14919 B17R1.29104 CCOCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100012232248 [0,1,0,1,0,0|2,0,0]=4 14920 B17R1.29490 CCCCCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210759 [0,1,0,1,0,0|2,0,0]=4 14921 B17R1.29490 CCCCCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210759 [0,1,0,1,0,0|2,0,0]=4 14922 B17R1.29490 CCCCCCCCN1CCNC(=O)C1CC 34a_100000187962_100000210759 [0,1,0,1,0,0|2,0,0]=4 14923 B17R1.30587 CCNC(=O)CCNC1CCCCCCCC1 270004a_100025743525_100000038600 [0,1,0,1,0,0|0,0,0]=2 14924 B17R1.30587 CCOC(=O)CCCN1CCCCCCCC1 2230a_100000039187_100009991533 [0,1,0,1,0,0|1,0,0]=3 14925 B17R1.30587 CCOC(=O)CCCN1CCCCCCCC1 269982a_100000039187_100009991533 [0,1,0,1,0,0|1,0,0]=3 14926 B17R1.30587 CCOC(=O)CCCN1CCCCCCCC1 34a_100000039187_100009991533 [0,1,0,1,0,0|1,0,0]=3 14927 B17R1.30587 CCOC(=O)NCCN1CCCCCCCC1 269982a_100000039187_200011445536 [0,1,0,1,0,0|2,0,0]=4 14928 B17R1.1030 CCN(C)C(=O)CN1CCCCC1CCCO 2230a_100011934581_100000738999 [0,1,0,1,0,0|2,0,0]=4 14929 B17R1.1030 CCN(C)C(=O)CN1CCCCC1CCCO 269982a_100011934581_100000738999 [0,1,0,1,0,0|2,0,0]=4 14930 B17R1.1030 CCN(C)C(=O)CN1CCCCC1CCCO 34a_100011934581_100000738999 [0,1,0,1,0,0|2,0,0]=4 14931 B17R1.1030 CCN(C)C(=O)CN1CCCCC1CCOC 2230a_100015186528_100000738999 [0,1,0,1,0,0|2,0,0]=4 14932 B17R1.1030 CCN(C)C(=O)CN1CCCCC1CCOC 269982a_100015186528_100000738999 [0,1,0,1,0,0|2,0,0]=4 14933 B17R1.1030 CCN(C)C(=O)CN1CCCCC1CCOC 34a_100015186528_100000738999 [0,1,0,1,0,0|2,0,0]=4 14934 B17R1.1048 CCCCC1CCCC1NCC(=O)N(C)OC 270004a_100015207273_100000750825 [0,1,0,1,0,0|2,0,0]=4 14935 B17R1.1748 CCN(C)C(=O)CNCCN1CCCCC1C 2230a_100000739827_100000738999 [0,1,0,1,0,0|2,0,0]=4 14936 B17R1.1748 CCN(C)C(=O)CNCCN1CCCCC1C 34a_100000739827_100000738999 [0,1,0,1,0,0|2,0,0]=4 14937 B17R1.1748 CCN(C)C(=O)COCCN1CCCCC1C 34a_100011305533_100000738999 [0,1,0,1,0,0|2,0,0]=4 14938 B17R1.1748 CCN(C)C(=O)CSCCC1CCCCN1C 62a_100000211948_100000738999 [0,1,0,1,0,0|2,0,0]=4 14939 B17R1.1748 CCN(C)C(=O)CSCCC1CCCCN1C 62a_100000738999_100000211948 [0,1,0,1,0,0|2,0,0]=4 14940 B17R1.1748 CCN(C)C(=O)NCCCN1CCCCC1C 273464a_100000212276_100000225621 [0,1,0,1,0,0|2,0,0]=4 14941 B17R1.1748 CON(C)C(=O)CCCOC1CCCCC1C 7a_100000211207_100011842776 [0,1,0,1,0,0|2,0,0]=4 14942 B17R1.1782 CCC(C)C(=O)CCCCCN1CCCCC1 1458a_100012051570_100000758301 [0,1,0,1,0,0|2,0,0]=4 14943 B17R1.1782 CCN(C)C(=O)CCCCCN1CCCCC1 11a_100000225621_100012051570 [0,1,0,1,0,0|1,0,0]=3 14944 B17R1.1782 CCN(C)C(=O)CCCCCN1CCCCC1 240690a_100000225621_100012051570 [0,1,0,1,0,0|1,0,0]=3 14945 B17R1.1782 CCN(C)C(=O)CCCCCN1CCOCC1 11a_100000225621_100012051560 [0,1,0,1,0,0|2,0,0]=4 14946 B17R1.1782 CCN(C)C(=O)CCCCCN1CCOCC1 240690a_100000225621_100012051560 [0,1,0,1,0,0|2,0,0]=4 14947 B17R1.1782 CCN(C)C(=O)CNCCCC1CCCCC1 2230a_100011211642_100000738999 [0,1,0,1,0,0|1,0,0]=3 14948 B17R1.1782 CCN(C)C(=O)CNCCCC1CCCCC1 34a_100011211642_100000738999 [0,1,0,1,0,0|1,0,0]=3 14949 B17R1.1782 CCN(C)C(=O)CNCCOC1CCCCC1 34a_100015206981_100000738999 [0,1,0,1,0,0|2,0,0]=4 14950 B17R1.1782 CCN(C)C(=O)COCCCC1CCCCC1 34a_100000198086_100000738999 [0,1,0,1,0,0|1,0,0]=3 14951 B17R1.1782 CCN(C)C(=O)COCCCC1CCCCC1 7a_100000198086_100000738999 [0,1,0,1,0,0|1,0,0]=3 14952 B17R1.1782 CCN(C)C(=O)COCCCC1CCCCN1 34a_100011934581_100000738999 [0,1,0,1,0,0|2,0,0]=4 14953 B17R1.1782 CCN(C)C(=O)COCCCC1CCCNC1 34a_100150707839_100000738999 [0,1,0,1,0,0|2,0,0]=4 14954 B17R1.1782 CCN(C)C(=O)COCCCC1CCNCC1 34a_100016988962_100000738999 [0,1,0,1,0,0|2,0,0]=4 14955 B17R1.1782 CCN(C)C(=O)COCCCN1CCCCC1 34a_100000212458_100000738999 [0,1,0,1,0,0|2,0,0]=4 14956 B17R1.1782 CCN(C)C(=O)COCCNC1CCCCC1 34a_100000200466_100000738999 [0,1,0,1,0,0|2,0,0]=4 14957 B17R1.1782 CCN(C)C(=O)COCCOC1CCCCC1 34a_100011249652_100000738999 [0,1,0,1,0,0|2,0,0]=4 14958 B17R1.1782 CCN(C)C(=O)COCCOC1CCCCC1 7a_100011249652_100000738999 [0,1,0,1,0,0|2,0,0]=4 14959 B17R1.1782 CCN(C)C(=O)CSCCCC1CCCCC1 62a_100000738999_100011713725 [0,1,0,1,0,0|1,0,0]=3 14960 B17R1.1782 CCN(C)C(=O)CSCCCC1CCCCC1 62a_100011713725_100000738999 [0,1,0,1,0,0|1,0,0]=3 14961 B17R1.1782 CCN(C)C(=O)CSCCCN1CCCCC1 62a_100000738999_100000007876 [0,1,0,1,0,0|2,0,0]=4 14962 B17R1.1782 CCN(C)C(=O)CSCCCN1CCCCC1 62a_100132302099_100000738999 [0,1,0,1,0,0|2,0,0]=4 14963 B17R1.1782 CCN(C)C(=O)CSCCOC1CCCCC1 62a_100000738999_100011211530 [0,1,0,1,0,0|2,0,0]=4 14964 B17R1.1782 CCN(C)C(=O)CSCCOC1CCCCC1 62a_100011211530_100000738999 [0,1,0,1,0,0|2,0,0]=4 14965 B17R1.1782 CCN(C)C(=O)NCCCCN1CCCCC1 2708a_200011207366_100000225621 [0,1,0,1,0,0|2,0,0]=4 14966 B17R1.1782 CCN(C)C(=O)NCCCCN1CCCCC1 273464a_200011207366_100000225621 [0,1,0,1,0,0|2,0,0]=4 14967 B17R1.1782 CCN(C)C(=O)NCCCOC1CCCCC1 2708a_100000205933_100000225621 [0,1,0,1,0,0|2,0,0]=4 14968 B17R1.1782 CCN(C)C(=O)NCCCOC1CCCCC1 273464a_100000205933_100000225621 [0,1,0,1,0,0|2,0,0]=4 14969 B17R1.1782 CON(C)C(=O)CCCOCC1CCCCC1 7a_100000212181_100011842776 [0,1,0,1,0,0|2,0,0]=4 14970 B17R1.1782 CON(C)C(=O)CCCSCC1CCCCC1 62a_100000211423_100011842776 [0,1,0,1,0,0|2,0,0]=4 14971 B17R1.1782 CON(C)C(=O)CCCSCC1CCCCC1 62a_100011842776_100000211423 [0,1,0,1,0,0|2,0,0]=4 14972 B17R1.1782 CON(C)C(=O)CNCCCC1CCCCC1 2230a_100011211642_100000764215 [0,1,0,1,0,0|2,0,0]=4 14973 B17R1.1782 CON(C)C(=O)CNCCCC1CCCCC1 2230a_100015207273_100011713725 [0,1,0,1,0,0|2,0,0]=4 14974 B17R1.1782 CON(C)C(=O)COCCCC1CCCCC1 7a_100000198086_100000764215 [0,1,0,1,0,0|2,0,0]=4 14975 B17R1.1782 CON(C)C(=O)CSCCCC1CCCCC1 62a_100000764215_100011713725 [0,1,0,1,0,0|2,0,0]=4 14976 B17R1.1782 CON(C)C(=O)CSCCCC1CCCCC1 62a_100011713725_100000764215 [0,1,0,1,0,0|2,0,0]=4 14977 B17R1.1795 CCN(C)C(=O)CNCCCOC1CCCC1 34a_100000747560_100000738999 [0,1,0,1,0,0|2,0,0]=4 14978 B17R1.1795 CCN(C)C(=O)NCCCCCN1CCCC1 2708a_100011491779_100000225621 [0,1,0,1,0,0|2,0,0]=4 14979 B17R1.1795 CCN(C)C(=O)NCCCCCN1CCCC1 273464a_100011491779_100000225621 [0,1,0,1,0,0|2,0,0]=4 14980 B17R1.1795 CON(C)C(=O)CCCOCCC1CCCC1 7a_100000749090_100011842776 [0,1,0,1,0,0|2,0,0]=4 14981 B17R1.1795 CON(C)C(=O)CCCSCCC1CCCC1 62a_100000760354_100011842776 [0,1,0,1,0,0|2,0,0]=4 14982 B17R1.1795 CON(C)C(=O)CCCSCCC1CCCC1 62a_100011842776_100000760354 [0,1,0,1,0,0|2,0,0]=4 14983 B17R1.1966 CON(C)C(=O)CNC1CCCCCCCC1 270004a_100015207273_100000038600 [0,1,0,1,0,0|2,0,0]=4 14984 B17R1.2000 CCN(C)C(=O)CNCCC1CCCCCC1 2230a_100011532351_100000738999 [0,1,0,1,0,0|1,0,0]=3 14985 B17R1.2000 CCN(C)C(=O)CNCCC1CCCCCC1 34a_100011532351_100000738999 [0,1,0,1,0,0|1,0,0]=3 14986 B17R1.2000 CCN(C)C(=O)COCCN1CCCCCC1 34a_100000238007_100000738999 [0,1,0,1,0,0|2,0,0]=4 14987 B17R1.2000 CCN(C)C(=O)CSCCN1CCCCCC1 62a_100000722644_100000738999 [0,1,0,1,0,0|2,0,0]=4 14988 B17R1.2000 CCN(C)C(=O)CSCCN1CCCCCC1 62a_100000738999_100000722644 [0,1,0,1,0,0|2,0,0]=4 14989 B17R1.2000 CCN(C)C(=O)NCCCN1CCCCCC1 273464a_100000181460_100000225621 [0,1,0,1,0,0|2,0,0]=4 14990 B17R1.2000 CON(C)C(=O)CCCOC1CCCCCC1 7a_100000210887_100011842776 [0,1,0,1,0,0|2,0,0]=4 14991 B17R1.2000 CON(C)C(=O)CCCSC1CCCCCC1 62a_100011217769_100011842776 [0,1,0,1,0,0|2,0,0]=4 14992 B17R1.2000 CON(C)C(=O)CCCSC1CCCCCC1 62a_100011842776_100011217769 [0,1,0,1,0,0|2,0,0]=4 14993 B17R1.2000 CON(C)C(=O)CNCCC1CCCCCC1 2230a_100011532351_100000764215 [0,1,0,1,0,0|2,0,0]=4 14994 B17R1.2197 CCC(C)C(=O)NCCC1CCCCCCC1 11a_100011532352_100011192722 [0,1,0,1,0,0|2,0,0]=4 14995 B17R1.2197 CCC(C)C(=O)NCCC1CCCCCCC1 1626a_100011532352_100011192722 [0,1,0,1,0,0|2,0,0]=4 14996 B17R1.2197 CCC(C)C(=O)NCCC1CCCCCCC1 240690a_100011532352_100011192722 [0,1,0,1,0,0|2,0,0]=4 14997 B17R1.2197 CCC(C)C(=O)NCCC1CCCCCCC1 527a_100011532352_100011192722 [0,1,0,1,0,0|2,0,0]=4 14998 B17R1.2197 CCC(O)C(=O)NCCC1CCCCCCC1 240690a_100011532352_100011196387 [0,1,0,1,0,0|2,0,0]=4 14999 B17R1.2197 CCN(C)C(=O)COCC1CCCCCCC1 34a_100011216312_100000738999 [0,1,0,1,0,0|1,0,0]=3 15000 B17R1.2197 CCN(C)C(=O)COCC1CCCCCCC1 7a_100011216312_100000738999 [0,1,0,1,0,0|1,0,0]=3 15001 B17R1.2197 CCN(C)C(=O)NCCC1CCCCCCC1 2708a_100011532352_100000225621 [0,1,0,1,0,0|1,0,0]=3 15002 B17R1.2197 CCN(C)C(=O)NCCC1CCCCCCC1 273464a_100011532352_100000225621 [0,1,0,1,0,0|1,0,0]=3 15003 B17R1.2197 CON(C)C(=O)CCCN1CCCCCCC1 269982a_100000211400_100011842776 [0,1,0,1,0,0|2,0,0]=4 15004 B17R1.2197 CON(C)C(=O)COCC1CCCCCCC1 7a_100011216312_100000764215 [0,1,0,1,0,0|2,0,0]=4 15005 B17R1.4880 CCCC1CCCCC1NCC(=O)N(C)OC 270004a_100015207273_100011218038 [0,1,0,1,0,0|2,0,0]=4 15006 B17R1.4880 CCCC1CCCCC1OCC(=O)N(C)CC 34a_100011217265_100000738999 [0,1,0,1,0,0|1,0,0]=3 15007 B17R1.4880 CCCC1CCCCC1OCC(=O)N(C)CC 7a_100011217265_100000738999 [0,1,0,1,0,0|1,0,0]=3 15008 B17R1.4880 CCCC1CCCCC1OCC(=O)N(C)OC 7a_100011217265_100000764215 [0,1,0,1,0,0|2,0,0]=4 15009 B17R1.5247 CCCCCCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210759 [0,1,0,1,0,0|1,0,0]=3 15010 B17R1.5247 CCCCCCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210759 [0,1,0,1,0,0|1,0,0]=3 15011 B17R1.5247 CCCCCCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210681 [0,1,0,1,0,0|1,0,0]=3 15012 B17R1.5247 CCCCCCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210614 [0,1,0,1,0,0|1,0,0]=3 15013 B17R1.5247 CCCCCCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210614 [0,1,0,1,0,0|1,0,0]=3 15014 B17R1.5247 CCCCCCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210614 [0,1,0,1,0,0|1,0,0]=3 15015 B17R1.5247 CCCCOCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000743108 [0,1,0,1,0,0|2,0,0]=4 15016 B17R1.5247 CCCCOCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000743108 [0,1,0,1,0,0|2,0,0]=4 15017 B17R1.5247 CCCCOCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000743108 [0,1,0,1,0,0|2,0,0]=4 15018 B17R1.5247 CCCCOCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000743108 [0,1,0,1,0,0|2,0,0]=4 15019 B17R1.5247 CCN1CC(CC1=O)CNCCCCCCF 2230a_100011935115_100015922095 [0,1,0,1,0,0|2,0,0]=4 15020 B17R1.5247 CCN1CC(CC1=O)CNCCCCCCF 34a_100011935115_100015922095 [0,1,0,1,0,0|2,0,0]=4 15021 B17R1.5247 CCN1CC(CC1=O)CNCCCCCCO 2230a_100011935115_100000766143 [0,1,0,1,0,0|2,0,0]=4 15022 B17R1.5247 CCN1CC(CC1=O)CNCCCCCCO 34a_100011935115_100000766143 [0,1,0,1,0,0|2,0,0]=4 15023 B17R1.5247 CCN1CC(CC1=O)COCCCCCCF 34a_100000758270_100015922095 [0,1,0,1,0,0|2,0,0]=4 15024 B17R1.5247 CCN1CC(CC1=O)COCCCCCCF 7a_100000758270_100015922095 [0,1,0,1,0,0|2,0,0]=4 15025 B17R1.5247 CCN1CC(CC1=O)COCCCCCCO 34a_100000758270_100000766143 [0,1,0,1,0,0|2,0,0]=4 15026 B17R1.5247 CCN1CC(CC1=O)COCCCCCCO 7a_100000758270_100000766143 [0,1,0,1,0,0|2,0,0]=4 15027 B17R1.5247 CCN1CC(CC1=O)NCCCCCCCO 2230a_100015184948_100000760002 [0,1,0,1,0,0|2,0,0]=4 15028 B17R1.5247 CCN1CC(CC1=O)NCCCCCCCO 34a_100015184948_100000760002 [0,1,0,1,0,0|2,0,0]=4 15029 B17R1.5247 CCN1CC(CC1=O)NCCCCCCOC 2230a_100015184948_100011998445 [0,1,0,1,0,0|2,0,0]=4 15030 B17R1.5247 CCN1CC(CC1=O)NCCCCCCOC 34a_100015184948_100011998445 [0,1,0,1,0,0|2,0,0]=4 15031 B17R1.10852 CCCCCCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100011214924 [0,1,0,1,0,0|1,0,0]=3 15032 B17R1.10852 CCCCCCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210670 [0,1,0,1,0,0|1,0,0]=3 15033 B17R1.10852 CCCCCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210759 [0,1,0,1,0,0|1,0,0]=3 15034 B17R1.10852 CCCCCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210759 [0,1,0,1,0,0|1,0,0]=3 15035 B17R1.10852 CN1CCC(CC1=O)NCCCCCCCO 2230a_100000126938_100000760002 [0,1,0,1,0,0|2,0,0]=4 15036 B17R1.10852 CN1CCC(CC1=O)NCCCCCCCO 34a_100000126938_100000760002 [0,1,0,1,0,0|2,0,0]=4 15037 B17R1.10852 CN1CCN(CC1=O)CCCCCCCCO 2230a_100000187256_100000033203 [0,1,0,1,0,0|2,0,0]=4 15038 B17R1.10852 CN1CCN(CC1=O)CCCCCCCCO 269982a_100000187256_100000033203 [0,1,0,1,0,0|2,0,0]=4 15039 B17R1.10852 COCCCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100011998445 [0,1,0,1,0,0|2,0,0]=4 15040 B17R1.10852 COCCCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100011998445 [0,1,0,1,0,0|2,0,0]=4 15041 B17R1.11426 CCCN1CCCC1COCC(=O)N(C)CC 34a_200000694710_100000738999 [0,1,0,1,0,0|2,0,0]=4 15042 B17R1.11426 CCCN1CCCC1COCC(=O)N(C)CC 7a_200000694710_100000738999 [0,1,0,1,0,0|2,0,0]=4 15043 B17R1.27008 CCC1CCCCN1CCCC(=O)N(C)OC 269982a_100000210034_100011842776 [0,1,0,1,0,0|2,0,0]=4 15044 B17R1.27008 CCC1CCCCN1CCNC(=O)N(C)CC 2708a_100000755458_100000225621 [0,1,0,1,0,0|2,0,0]=4 15045 B17R1.27008 CCC1CCCCN1CCNC(=O)N(C)CC 273464a_100000755458_100000225621 [0,1,0,1,0,0|2,0,0]=4 15046 B17R1.27008 CCN(C)C(=O)CNCC1CCCCN1CC 2230a_100000754393_100000738999 [0,1,0,1,0,0|2,0,0]=4 15047 B17R1.27008 CCN(C)C(=O)CNCC1CCCCN1CC 34a_100000754393_100000738999 [0,1,0,1,0,0|2,0,0]=4 15048 B17R1.27008 CCN(C)C(=O)COCC1CCCCN1CC 34a_100000225091_100000738999 [0,1,0,1,0,0|2,0,0]=4 15049 B17R1.27008 CCN(C)C(=O)COCC1CCCCN1CC 7a_100000225091_100000738999 [0,1,0,1,0,0|2,0,0]=4 15050 B17R1.29208 CCCCCCCCCNC1CCN(C1=O)C 2230a_100000212291_100000755940 [0,1,0,1,0,0|1,0,0]=3 15051 B17R1.29208 CCCCCCCCCNC1CCN(C1=O)C 34a_100000212291_100000755940 [0,1,0,1,0,0|1,0,0]=3 15052 B17R1.29208 CCCCCCCCCOC1CCN(C1=O)C 34a_100000210712_100000755940 [0,1,0,1,0,0|1,0,0]=3 15053 B17R1.29208 CCCCCCCCCOC1CCN(C1=O)C 7a_100000210712_100000755940 [0,1,0,1,0,0|1,0,0]=3 15054 B17R1.29208 CCCCCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210670 [0,1,0,1,0,0|1,0,0]=3 15055 B17R1.29208 CCCCCCCCOCC1CCN(C1=O)C 34a_100009823153_100000210759 [0,1,0,1,0,0|1,0,0]=3 15056 B17R1.29208 CCCCCCOCCOC1CCN(C1=O)C 34a_100000691444_100000755940 [0,1,0,1,0,0|2,0,0]=4 15057 B17R1.29208 CCCCCCOCCOC1CCN(C1=O)C 7a_100000691444_100000755940 [0,1,0,1,0,0|2,0,0]=4 15058 B17R1.29208 CCCCNCCCCOC1CCN(C1=O)C 34a_200011216965_100000755940 [0,1,0,1,0,0|2,0,0]=4 15059 B17R1.29208 CCCCOCCCCOC1CCN(C1=O)C 34a_200000760531_100000755940 [0,1,0,1,0,0|2,0,0]=4 15060 B17R1.29208 CCCCOCCCCOC1CCN(C1=O)C 7a_200000760531_100000755940 [0,1,0,1,0,0|2,0,0]=4 15061 B17R1.29208 CN1CCC(C1=O)COCCCCCCCO 34a_100009823153_100000760002 [0,1,0,1,0,0|2,0,0]=4 15062 B17R1.29208 CN1CCC(C1=O)NCCCCCCCCO 2230a_102515433106_100000755940 [0,1,0,1,0,0|2,0,0]=4 15063 B17R1.29208 CN1CCC(C1=O)NCCCCCCCCO 34a_102515433106_100000755940 [0,1,0,1,0,0|2,0,0]=4 15064 B17R1.29208 CN1CCC(C1=O)OCCCCCCCCBr 34a_100009813846_100000755940 [0,1,0,1,0,0|2,0,0]=4 15065 B17R1.29208 CN1CCC(C1=O)OCCCCCCCCBr 7a_100009813846_100000755940 [0,1,0,1,0,0|2,0,0]=4 15066 B17R1.29208 CN1CCC(C1=O)OCCCCCCCCCl 34a_100000033203_100000755940 [0,1,0,1,0,0|2,0,0]=4 15067 B17R1.29208 CN1CCC(C1=O)OCCCCCCCCCl 7a_100000033203_100000755940 [0,1,0,1,0,0|2,0,0]=4 15068 B17R1.29208 CN1CCC(C1=O)OCCCCCCCCN 34a_102515433106_100000755940 [0,1,0,1,0,0|2,0,0]=4 15069 B17R1.29208 CN1CCC(C1=O)SCCCCCCCCO 62a_100000033203_100000755940 [0,1,0,1,0,0|2,0,0]=4 15070 B17R1.29208 CN1CCC(C1=O)SCCCCCCCCO 62a_100000755940_100000033203 [0,1,0,1,0,0|2,0,0]=4 15071 B17R1.29208 COCCCCCCOCC1CCN(C1=O)C 34a_100009823153_100011998445 [0,1,0,1,0,0|2,0,0]=4 15072 B17R1.29773 CCCCCCCCCC=CC(=O)N1CCC1 11a_100000754969_200015352897 [0,1,0,1,0,0|0,0,2]=4 15073 B17R1.29773 CCCCCCCCCC=CC(=O)N1CCC1 240690a_100000754969_200015352897 [0,1,0,1,0,0|0,0,2]=4 15074 B17R1.29773 CCCCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100011215454 [0,1,0,1,0,0|1,0,0]=3 15075 B17R1.29773 CCCCCCCCCCCC(=O)C1CCC1 1458a_100000210736_100000749161 [0,1,0,1,0,0|1,0,0]=3 15076 B17R1.29773 CCCCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100011215454 [0,1,0,1,0,0|1,0,0]=3 15077 B17R1.29773 CCCCCCCCCCCC(=O)C1COC1 1458a_100000210736_100000687716 [0,1,0,1,0,0|1,0,0]=3 15078 B17R1.29773 CCCCCCCCCCCC(=O)C1COC1 1458a_100000758290_100011215454 [0,1,0,1,0,0|1,0,0]=3 15079 B17R1.29773 CCCCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000210736 [0,1,0,1,0,0|0,0,0]=2 15080 B17R1.29773 CCCCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000210736 [0,1,0,1,0,0|0,0,0]=2 15081 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 11a_100000684558_100000209988 [0,1,0,1,0,0|2,0,0]=4 15082 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 1626a_100000684558_100000209988 [0,1,0,1,0,0|2,0,0]=4 15083 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 240690a_100000684558_100000209988 [0,1,0,1,0,0|2,0,0]=4 15084 B17R1.29773 CCCCCCCCCCNC(=O)C1CCC1 527a_100000684558_100000209988 [0,1,0,1,0,0|2,0,0]=4 15085 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 11a_100000684558_100000089072 [0,1,0,1,0,0|2,0,0]=4 15086 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 1626a_100000684558_100000089072 [0,1,0,1,0,0|2,0,0]=4 15087 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 240690a_100000684558_100000089072 [0,1,0,1,0,0|2,0,0]=4 15088 B17R1.29773 CCCCCCCCCCNC(=O)C1CCO1 527a_100000684558_100000089072 [0,1,0,1,0,0|2,0,0]=4 15089 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 11a_100000684558_100000758290 [0,1,0,1,0,0|2,0,0]=4 15090 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 1626a_100000684558_100000758290 [0,1,0,1,0,0|2,0,0]=4 15091 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 240690a_100000684558_100000758290 [0,1,0,1,0,0|2,0,0]=4 15092 B17R1.29773 CCCCCCCCCCNC(=O)C1COC1 527a_100000684558_100000758290 [0,1,0,1,0,0|2,0,0]=4 15093 B17R1.29773 CCCCCCCCCCNC(=O)N1CCC1 2708a_100000684558_100000754969 [0,1,0,1,0,0|1,0,0]=3 15094 B17R1.29773 CCCCCCCCCCNC(=O)N1CCC1 273464a_100000684558_100000754969 [0,1,0,1,0,0|1,0,0]=3 15095 B17R1.29773 CCCCCCCCCNCC(=O)C1CCC1 2230a_100000212291_100000686122 [0,1,0,1,0,0|2,0,0]=4 15096 B17R1.29773 CCCCCCCCCNCC(=O)C1CCC1 34a_100000212291_100000686122 [0,1,0,1,0,0|2,0,0]=4 15097 B17R1.29773 CCCCCCCCCNCC(=O)N1CCC1 2230a_100000212291_100000185095 [0,1,0,1,0,0|1,0,0]=3 15098 B17R1.29773 CCCCCCCCCNCC(=O)N1CCC1 34a_100000212291_100000185095 [0,1,0,1,0,0|1,0,0]=3 15099 B17R1.29773 CCCCCCCCCOCC(=O)C1CCC1 34a_100000210712_100000686122 [0,1,0,1,0,0|2,0,0]=4 15100 B17R1.29773 CCCCCCCCCOCC(=O)C1CCC1 7a_100000210712_100000686122 [0,1,0,1,0,0|2,0,0]=4 15101 B17R1.29773 CCCCCCCCCOCC(=O)N1CCC1 34a_100000210712_100000185095 [0,1,0,1,0,0|1,0,0]=3 15102 B17R1.29773 CCCCCCCCCOCC(=O)N1CCC1 7a_100000210712_100000185095 [0,1,0,1,0,0|1,0,0]=3 15103 B17R1.29773 CCCCCCCCCSCC(=O)C1CCC1 62a_100000686122_100000210670 [0,1,0,1,0,0|2,0,0]=4 15104 B17R1.29773 CCCCCCCCCSCC(=O)N1CCC1 62a_100000185095_100000210670 [0,1,0,1,0,0|1,0,0]=3 15105 B17R1.29773 CCCCCCOCCOCC(=O)N1CCC1 34a_100000691444_100000185095 [0,1,0,1,0,0|2,0,0]=4 15106 B17R1.29773 CCCCCCOCCOCC(=O)N1CCC1 7a_100000691444_100000185095 [0,1,0,1,0,0|2,0,0]=4 15107 B17R1.29773 CCCCNCCCCOCC(=O)N1CCC1 34a_200011216965_100000185095 [0,1,0,1,0,0|2,0,0]=4 15108 B17R1.29773 CCCCOCCCCOCC(=O)N1CCC1 34a_200000760531_100000185095 [0,1,0,1,0,0|2,0,0]=4 15109 B17R1.29773 CCCCOCCCCOCC(=O)N1CCC1 7a_200000760531_100000185095 [0,1,0,1,0,0|2,0,0]=4 15110 B17R1.29773 NCCCCCCCCOCC(=O)N1CCC1 34a_102515433106_100000185095 [0,1,0,1,0,0|2,0,0]=4 15111 B17R1.29773 O=C(CCCCCCCCCCO)C1CCC1 1458a_100000209988_100009813290 [0,1,0,1,0,0|2,0,0]=4 15112 B17R1.29773 O=C(CCCCCCCCCCO)C1CCO1 1458a_100000089072_100009813290 [0,1,0,1,0,0|2,0,0]=4 15113 B17R1.29773 O=C(CCCCCCCCCCO)C1COC1 1458a_100000758290_100009813290 [0,1,0,1,0,0|2,0,0]=4 15114 B17R1.29773 O=C(CCCCCCCCCCO)N1CCC1 240690a_100000754969_200000016029 [0,1,0,1,0,0|1,0,0]=3 15115 B17R1.29773 O=C(CNCCCCCCCCO)N1CCC1 2230a_102515433106_100000185095 [0,1,0,1,0,0|2,0,0]=4 15116 B17R1.29773 O=C(CNCCCCCCCCO)N1CCC1 34a_102515433106_100000185095 [0,1,0,1,0,0|2,0,0]=4 15117 B17R1.29773 O=C(COCCCCCCCCBr)N1CCC1 34a_100009813846_100000185095 [0,1,0,1,0,0|2,0,0]=4 15118 B17R1.29773 O=C(COCCCCCCCCBr)N1CCC1 7a_100009813846_100000185095 [0,1,0,1,0,0|2,0,0]=4 15119 B17R1.29773 O=C(COCCCCCCCCCl)N1CCC1 34a_100000033203_100000185095 [0,1,0,1,0,0|2,0,0]=4 15120 B17R1.29773 O=C(COCCCCCCCCCl)N1CCC1 7a_100000033203_100000185095 [0,1,0,1,0,0|2,0,0]=4 15121 B17R1.29773 O=C(CSCCCCCCCCO)N1CCC1 62a_100000033203_100000185095 [0,1,0,1,0,0|2,0,0]=4 15122 B17R1.29773 O=C(CSCCCCCCCCO)N1CCC1 62a_100000185095_100000033203 [0,1,0,1,0,0|2,0,0]=4 15123 B17R1.29773 O=C(NCCCCCCCCCO)N1CCC1 2708a_100000078944_100000754969 [0,1,0,1,0,0|2,0,0]=4 15124 B17R1.29773 O=C(NCCCCCCCCCO)N1CCC1 273464a_100000078944_100000754969 [0,1,0,1,0,0|2,0,0]=4 15125 B17R1.29774 CC1(CC1)C(=O)CCCCCCCCCCO 1458a_100000756474_100009813290 [0,1,0,1,0,0|2,0,0]=4 15126 B17R1.29774 CCCCCCCCCCCC(=O)C1(CC1)C 1458a_100000756474_100011215454 [0,1,0,1,0,0|1,0,0]=3 15127 B17R1.29774 CCCCCCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100011215454 [0,1,0,1,0,0|1,0,0]=3 15128 B17R1.29774 CCCCCCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100011215454 [0,1,0,1,0,0|1,0,0]=3 15129 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)C 11a_100000684558_100000756474 [0,1,0,1,0,0|2,0,0]=4 15130 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)C 1626a_100000684558_100000756474 [0,1,0,1,0,0|2,0,0]=4 15131 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)C 240690a_100000684558_100000756474 [0,1,0,1,0,0|2,0,0]=4 15132 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)C 527a_100000684558_100000756474 [0,1,0,1,0,0|2,0,0]=4 15133 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)F 11a_100000684558_100000055089 [0,1,0,1,0,0|2,0,0]=4 15134 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)F 1626a_100000684558_100000055089 [0,1,0,1,0,0|2,0,0]=4 15135 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)F 240690a_100000684558_100000055089 [0,1,0,1,0,0|2,0,0]=4 15136 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)F 527a_100000684558_100000055089 [0,1,0,1,0,0|2,0,0]=4 15137 B17R1.29774 CCCCCCCCCCNC(=O)C1(CC1)O 240690a_100000684558_100000241761 [0,1,0,1,0,0|2,0,0]=4 15138 B17R1.29774 O=C(CCCCCCCCCCO)C1(CC1)F 1458a_100000055089_100009813290 [0,1,0,1,0,0|2,0,0]=4 15139 B17R1.29774 O=C(CCCCCCCCCCO)C1(CC1)O 1458a_100000241761_100009813290 [0,1,0,1,0,0|2,0,0]=4 15140 B17R1.73265 CC1CC1C(=O)CCCCCCCCCCO 1458a_100000211227_100009813290 [0,1,0,1,0,0|2,0,0]=4 15141 B17R1.73265 CCCCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100011215454 [0,1,0,1,0,0|1,0,0]=3 15142 B17R1.73265 CCCCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215454 [0,1,0,1,0,0|1,0,0]=3 15143 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 11a_100000684558_100000211227 [0,1,0,1,0,0|2,0,0]=4 15144 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 1626a_100000684558_100000211227 [0,1,0,1,0,0|2,0,0]=4 15145 B17R1.73265 CCCCCCCCCCNC(=O)C1CC1C 527a_100000684558_100000211227 [0,1,0,1,0,0|2,0,0]=4 15146 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000684558_100015396687 [0,1,0,1,0,0|2,0,0]=4 15147 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000684558_100015396687 [0,1,0,1,0,0|2,0,0]=4 15148 B17R1.73265 CCCCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000684558_100015396687 [0,1,0,1,0,0|2,0,0]=4 15149 B17R1.73265 O=C(CCCCCCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100009813290 [0,1,0,1,0,0|2,0,0]=4 15150 B17R1.108021 CCCCCCCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210759 [0,1,0,1,0,0|1,0,0]=3 15151 B17R1.108021 CCCCCCCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210759 [0,1,0,1,0,0|1,0,0]=3 15152 B17R1.108021 CCCCCCCCN1CCC(=O)N(CC1)C 34a_100020591582_100000210759 [0,1,0,1,0,0|1,0,0]=3 15153 B17R1.108021 CN1CCN(CCC1=O)CCCCCCCO 2230a_100020591582_100000760002 [0,1,0,1,0,0|2,0,0]=4 15154 B17R1.108021 CN1CCN(CCC1=O)CCCCCCCO 269982a_100020591582_100000760002 [0,1,0,1,0,0|2,0,0]=4 15155 B17R1.108021 CN1CCN(CCC1=O)CCCCCCCO 34a_100020591582_100000760002 [0,1,0,1,0,0|2,0,0]=4 15156 B17R1.108021 COCCCCCCN1CCC(=O)N(CC1)C 2230a_100020591582_100011998445 [0,1,0,1,0,0|2,0,0]=4 15157 B17R1.108021 COCCCCCCN1CCC(=O)N(CC1)C 269982a_100020591582_100011998445 [0,1,0,1,0,0|2,0,0]=4 15158 B17R1.108021 COCCCCCCN1CCC(=O)N(CC1)C 34a_100020591582_100011998445 [0,1,0,1,0,0|2,0,0]=4 15159 B17R1.728 CCCC1CC(CCN1)NCCC(=O)NCC 270004a_100025743525_100016991347 [0,1,0,1,0,0|2,0,0]=4 15160 B17R1.728 CCCN1CCCC(C1)NCCC(=O)NCC 2230a_100011435248_100000737597 [0,1,0,1,0,0|2,0,0]=4 15161 B17R1.4851 CCOC(=O)CCCOC1CCC(CC1C)C 34a_100011539931_100009991533 [0,1,0,1,0,0|2,0,0]=4 15162 B17R1.4851 CCOC(=O)CCCOC1CCC(CC1C)C 7a_100011539931_100011215271 [0,1,0,1,0,0|2,0,0]=4 15163 B17R1.21126 CCCC(C)CO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100011216630 [0,1,0,1,0,0|2,0,0]=4 15164 B17R1.21203 CCOC(=O)CCCCN1CCCC(CC1)C 2230a_100025706717_100000750268 [0,1,0,1,0,0|2,0,0]=4 15165 B17R1.21203 CCOC(=O)CCCCN1CCCC(CC1)C 269982a_100025706717_100000750268 [0,1,0,1,0,0|2,0,0]=4 15166 B17R1.21203 CCOC(=O)CCCCN1CCCC(CC1)C 34a_100025706717_100000750268 [0,1,0,1,0,0|2,0,0]=4 15167 B17R1.21203 CCOC(=O)CCCCN1CCCC(CC1)O 2230a_100015186869_100000750268 [0,1,0,1,0,0|2,0,0]=4 15168 B17R1.21203 CCOC(=O)CCCCN1CCCC(CC1)O 269982a_100015186869_100000750268 [0,1,0,1,0,0|2,0,0]=4 15169 B17R1.21469 CCCC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 1458a_100000093966_100000210303 [0,1,0,1,0,0|1,0,1]=4 15170 B17R1.22036 CCCC(C)CN1CCCCC1C(=O)OCC 2230a_100016990872_100011216630 [0,1,0,1,0,0|2,0,0]=4 15171 B17R1.22036 CCCC(C)CN1CCCCC1C(=O)OCC 269982a_100016990872_100011216630 [0,1,0,1,0,0|2,0,0]=4 15172 B17R1.22036 CCCC(C)CN1CCCCC1C(=O)OCC 270004a_100016990872_100000243154 [0,1,0,1,0,0|2,0,0]=4 15173 B17R1.22036 CCCC(C)N1CCCCC1CC(=O)OCC 2230a_100116209990_100000766640 [0,1,0,1,0,0|2,0,0]=4 15174 B17R1.22036 CCCC(C)N1CCCCC1CC(=O)OCC 269982a_100116209990_100000766640 [0,1,0,1,0,0|2,0,0]=4 15175 B17R1.22036 CCCC(C)OC1CCCCC1C(=O)OCC 7a_100000038711_100000766640 [0,1,0,1,0,0|2,0,0]=4 15176 B17R1.31009 CCOC(=O)CCCCCCCC(=O)C1CC1 1458a_100000210395_100009991516 [0,1,0,1,0,0|1,0,1]=4 15177 B17R1.31009 CCOC(=O)CCCCCCCN(C)C1CC1 2230a_100000226674_100009991516 [0,1,0,1,0,0|2,0,0]=4 15178 B17R1.31009 CCOC(=O)CCCCCCCN(C)C1CC1 269982a_100000226674_100009991516 [0,1,0,1,0,0|2,0,0]=4 15179 B17R1.31009 CCOC(=O)CCCCCCNC(C)C1CC1 2230a_100000700016_100009814379 [0,1,0,1,0,0|2,0,0]=4 15180 B17R1.31009 CCOC(=O)CCCCCCNC(C)C1CC1 34a_100000700016_100009814379 [0,1,0,1,0,0|2,0,0]=4 15181 B17R1.31009 CCOC(=O)CCCCCCOC(C)C1CC1 34a_100000744524_100009814379 [0,1,0,1,0,0|2,0,0]=4 15182 B17R1.31009 CCOC(=O)CCCCCCOC(C)C1CC1 7a_100000744524_100009814379 [0,1,0,1,0,0|2,0,0]=4 15183 B17R1.31009 CCOC(=O)CCCCCNCC(O)C1CC1 2230a_100000751198_100000755133 [0,1,0,1,0,0|2,0,0]=4 15184 B17R1.31009 CCOC(=O)CCCCCNCC(O)C1CC1 34a_100000751198_100000755133 [0,1,0,1,0,0|2,0,0]=4 15185 B17R1.31009 CCOC(=O)CCCCCOC[C@H](N)C1CC1 34a_100020623730_100000755133 [0,1,0,1,0,0|2,0,0]=4 15186 B17R1.126692 CCOC(=O)CCCCCCNC1(CCC1)C 2230a_100000692455_100009814379 [0,1,0,1,0,0|2,0,0]=4 15187 B17R1.126692 CCOC(=O)CCCCCCNC1(CCC1)C 34a_100000692455_100009814379 [0,1,0,1,0,0|2,0,0]=4 15188 B17R1.126692 CCOC(=O)CCCCCCOC1(CCC1)C 34a_100000759064_100009814379 [0,1,0,1,0,0|2,0,0]=4 15189 B17R1.126692 CCOC(=O)CCCCCCOC1(CCC1)C 7a_100000759064_100009814379 [0,1,0,1,0,0|2,0,0]=4 15190 B17R1.126692 CCOC(=O)CCCCCNCC1(CCC1)C 2230a_100000706607_100000755133 [0,1,0,1,0,0|2,0,0]=4 15191 B17R1.126692 CCOC(=O)CCCCCNCC1(CCC1)O 2230a_100000752638_100000755133 [0,1,0,1,0,0|2,0,0]=4 15192 B17R1.126692 CCOC(=O)CCCCCOCC1(CCC1)C 7a_100011214988_100000726658 [0,1,0,1,0,0|2,0,0]=4 15193 B17R1.126692 CCOC(=O)CCCCCSCC1(CCC1)C 62a_100000726658_100000755133 [0,1,0,1,0,0|2,0,0]=4 15194 B17R1.126692 CCOC(=O)CCCCCSCC1(CCC1)C 62a_100000755133_100000726658 [0,1,0,1,0,0|2,0,0]=4 15195 B17R1.40 CCCCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210759 [0,1,0,1,0,0|0,0,1]=3 15196 B17R1.40 CCCCCCCCC(=O)N1CCNC(=O)C1 11a_100000184651_100000210188 [0,1,0,1,0,0|1,0,1]=4 15197 B17R1.40 CCCCCCCCC(=O)N1CCNC(=O)C1 1626a_100000184651_100000210188 [0,1,0,1,0,0|1,0,1]=4 15198 B17R1.40 CCCCCCCCC(=O)N1CCNC(=O)C1 240690a_100000184651_100000210188 [0,1,0,1,0,0|1,0,1]=4 15199 B17R1.40 CCCCCCCCC(=O)N1CCNC(=O)C1 527a_100000184651_100000210188 [0,1,0,1,0,0|1,0,1]=4 15200 B17R1.40 CCCCCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100011216694 [0,1,0,1,0,0|1,0,0]=3 15201 B17R1.40 CCCCCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100011216694 [0,1,0,1,0,0|2,0,0]=4 15202 B17R1.40 CCCCCCCNC(=O)C1CCNC(=O)C1 11a_100000229938_100000132800 [0,1,0,1,0,0|1,0,1]=4 15203 B17R1.40 CCCCCCCNC(=O)C1CCNC(=O)C1 1626a_100000229938_100000132800 [0,1,0,1,0,0|1,0,1]=4 15204 B17R1.40 CCCCCCCNC(=O)C1CCNC(=O)C1 240690a_100000229938_100000132800 [0,1,0,1,0,0|1,0,1]=4 15205 B17R1.40 CCCCCCCNC(=O)C1CCNC(=O)C1 527a_100000229938_100000132800 [0,1,0,1,0,0|1,0,1]=4 15206 B17R1.40 COCCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100011998445 [0,1,0,1,0,0|1,0,1]=4 15207 B17R1.40 O=C1CC(CCN1)C(=O)CCCCCCCO 1458a_100000132800_100000760002 [0,1,0,1,0,0|1,0,1]=4 15208 B17R1.1478 CCCCCCCCC(C)OCC1=NCCN1 34a_100000210740_100000737910 [0,1,0,1,0,0|2,0,0]=4 15209 B17R1.1478 CCCCCCCCC(C)OCC1=NCCN1 7a_100000210740_100000737910 [0,1,0,1,0,0|2,0,0]=4 15210 B17R1.6614 CCNC(=O)CCC(=O)CCC1CCCN1C 1458a_100000199579_100000005710 [0,1,0,1,0,0|1,0,1]=4 15211 B17R1.6634 CCNC(=O)CCC(=O)N1CCCCC1CC 11a_100000210034_100000199579 [0,1,0,1,0,0|1,0,1]=4 15212 B17R1.6634 CCNC(=O)CCC(=O)N1CCCCC1CC 1626a_100000210034_100000199579 [0,1,0,1,0,0|1,0,1]=4 15213 B17R1.6634 CCNC(=O)CCC(=O)N1CCCCC1CC 240690a_100000210034_100000199579 [0,1,0,1,0,0|1,0,1]=4 15214 B17R1.6634 CCOC(=O)CCC(C)N1CCCCC1CC 2230a_100000210034_100000748298 [0,1,0,1,0,0|2,0,0]=4 15215 B17R1.6634 CCOC(=O)CCC(C)N1CCCCC1CC 269982a_100000210034_100000748298 [0,1,0,1,0,0|2,0,0]=4 15216 B17R1.6634 CCOC(=O)CCC(C)N1CCCCC1CC 34a_100000210034_100000748298 [0,1,0,1,0,0|2,0,0]=4 15217 B17R1.6640 CCNC(=O)CCC(=O)CC1CCCCN1C 1458a_100000199579_100015185383 [0,1,0,1,0,0|1,0,1]=4 15218 B17R1.6640 CCNC(=O)CCC(=O)NC1CCCCC1C 11a_100000211402_100000199579 [0,1,0,1,0,0|1,0,1]=4 15219 B17R1.6640 CCNC(=O)CCC(=O)NC1CCCCC1C 1626a_100000211402_100000199579 [0,1,0,1,0,0|1,0,1]=4 15220 B17R1.6640 CCNC(=O)CCC(=O)NC1CCCCC1C 240690a_100000211402_100000199579 [0,1,0,1,0,0|1,0,1]=4 15221 B17R1.6640 CCNC(=O)CCN(C)CC1CCCCN1C 2230a_100015185953_100000737597 [0,1,0,1,0,0|2,0,0]=4 15222 B17R1.6640 CCNC(=O)CCN(C)CC1CCCCN1C 269982a_100015185953_100000737597 [0,1,0,1,0,0|2,0,0]=4 15223 B17R1.6640 CCOC(=O)CCC(C)NC1CCCCC1C 2230a_100000211402_100000748298 [0,1,0,1,0,0|2,0,0]=4 15224 B17R1.6640 CCOC(=O)CCC(C)NC1CCCCC1C 34a_100000211402_100000748298 [0,1,0,1,0,0|2,0,0]=4 15225 B17R1.6640 CCOC(=O)CCC(C)OC1CCCCC1C 34a_100000211207_100000748298 [0,1,0,1,0,0|2,0,0]=4 15226 B17R1.6640 CCOC(=O)CCC(C)OC1CCCCC1C 7a_100000211207_100000748298 [0,1,0,1,0,0|2,0,0]=4 15227 B17R1.6956 CCCCCCCCC(=O)NC1CCNC1=O 11a_100016995588_100000210188 [0,1,0,1,0,0|1,0,1]=4 15228 B17R1.6956 CCCCCCCCC(=O)NC1CCNC1=O 1626a_100016995588_100000210188 [0,1,0,1,0,0|1,0,1]=4 15229 B17R1.6956 CCCCCCCCC(=O)NC1CCNC1=O 240690a_100016995588_100000210188 [0,1,0,1,0,0|1,0,1]=4 15230 B17R1.6956 CCCCCCCCC(=O)NC1CCNC1=O 527a_100016995588_100000210188 [0,1,0,1,0,0|1,0,1]=4 15231 B17R1.6956 CCCCCCCCC(C)NC1CCNC1=O 270004a_100016995588_100011216694 [0,1,0,1,0,0|1,0,0]=3 15232 B17R1.6956 CCCCCCCCC(C)N[C@@H]1CONC1=O 270004a_100000765999_100011216694 [0,1,0,1,0,0|2,0,0]=4 15233 B17R1.6956 CCCCCCCCC(C)OC1CCCC1=O 34a_100000210740_100000709159 [0,1,0,1,0,0|2,0,0]=4 15234 B17R1.6956 CCCCCCCCC(C)OC1CCCC1=O 7a_100000210740_100000211823 [0,1,0,1,0,0|2,0,0]=4 15235 B17R1.6956 CCCCCCCCC(C)OC1CCOC1=O 34a_100000210740_100000211211 [0,1,0,1,0,0|2,0,0]=4 15236 B17R1.6956 CCCCCCCCC(C)OC1CCOC1=O 7a_100000210740_100000211211 [0,1,0,1,0,0|2,0,0]=4 15237 B17R1.10713 CCCCCCN1C[C@@H](C[C@H]1C(=O)OCC)O 2230a_100020626377_100000210314 [0,1,0,1,0,0|2,0,0]=4 15238 B17R1.10713 CCCCCCN1C[C@@H](C[C@H]1C(=O)OCC)O 269982a_100020626377_100000210757 [0,1,0,1,0,0|2,0,0]=4 15239 B17R1.17303 CCCCCCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210759 [0,1,0,1,0,0|2,0,0]=4 15240 B17R1.17303 CCCCCCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210614 [0,1,0,1,0,0|2,0,0]=4 15241 B17R1.17495 CCCCCN1CC[C@@H](C[C@H]1C(=O)OCC)C 2230a_200015568886_100000210326 [0,1,0,1,0,0|2,0,0]=4 15242 B17R1.17495 CCCCCN1CC[C@@H](C[C@H]1C(=O)OCC)C 269982a_200015568886_100000210215 [0,1,0,1,0,0|2,0,0]=4 15243 B17R1.18527 CCNC(=O)CCC(=O)CCC1CCCCC1 1458a_100000199579_100011273959 [0,1,0,1,0,0|0,0,1]=3 15244 B17R1.18527 CCNC(=O)CCC(=O)CCC1CCOCC1 1458a_100000199579_100011934994 [0,1,0,1,0,0|1,0,1]=4 15245 B17R1.18527 CCNC(=O)CCC(=O)CCN1CCCCC1 1458a_100000199579_100000739454 [0,1,0,1,0,0|1,0,1]=4 15246 B17R1.18527 CCNC(=O)CCC(=O)COC1CCCCC1 1458a_100000199579_100011935260 [0,1,0,1,0,0|1,0,1]=4 15247 B17R1.18527 CCNC(=O)CCC(=O)NCC1CCCCC1 11a_100000210473_100000199579 [0,1,0,1,0,0|1,0,1]=4 15248 B17R1.18527 CCNC(=O)CCC(=O)NCC1CCCCC1 1626a_100000210473_100000199579 [0,1,0,1,0,0|1,0,1]=4 15249 B17R1.18527 CCNC(=O)CCC(=O)NCC1CCCCC1 240690a_100000210473_100000199579 [0,1,0,1,0,0|1,0,1]=4 15250 B17R1.18527 CCNC(=O)CCN(C)CCC1CCCCO1 2230a_100015183322_100000737597 [0,1,0,1,0,0|2,0,0]=4 15251 B17R1.18527 CCNC(=O)CCN(C)CCC1CCCCO1 269982a_100015183322_100000737597 [0,1,0,1,0,0|2,0,0]=4 15252 B17R1.18527 CCNC(=O)CNC(=O)CCC1CCCCC1 11a_100016988866_100000211375 [0,1,0,1,0,0|1,0,1]=4 15253 B17R1.18527 CCNC(=O)CNC(=O)CCC1CCCCC1 1626a_100016988866_100000211375 [0,1,0,1,0,0|1,0,1]=4 15254 B17R1.18527 CCNC(=O)CNC(=O)CCC1CCCCC1 240690a_100016988866_100000211375 [0,1,0,1,0,0|1,0,1]=4 15255 B17R1.18527 CCNC(=O)CNC(=O)CCC1CCCCC1 527a_100016988866_100000211375 [0,1,0,1,0,0|1,0,1]=4 15256 B17R1.18527 CCNC(=O)CNC(C)CCN1CCCCC1 270004a_100016988866_100000727156 [0,1,0,1,0,0|2,0,0]=4 15257 B17R1.18527 CCNC(=O)COC(C)CNC1CCCCC1 34a_100000202029_100000183381 [0,1,0,1,0,0|2,0,0]=4 15258 B17R1.18527 CCOC(=O)CCC(=O)CCC1CCCCC1 1458a_100000183558_100011273959 [0,1,0,1,0,0|1,0,1]=4 15259 B17R1.18527 CCOC(=O)CCC(C)NCC1CCCCC1 2230a_100000210473_100000748298 [0,1,0,1,0,0|2,0,0]=4 15260 B17R1.18527 CCOC(=O)CCC(C)NCC1CCCCC1 34a_100000210473_100000748298 [0,1,0,1,0,0|2,0,0]=4 15261 B17R1.18527 CCOC(=O)CCC(C)OCC1CCCCC1 34a_100000212181_100000748298 [0,1,0,1,0,0|2,0,0]=4 15262 B17R1.18527 CCOC(=O)CCC(C)OCC1CCCCC1 7a_100000212181_100000748298 [0,1,0,1,0,0|2,0,0]=4 15263 B17R1.18527 CCOC(=O)CCC(C)SCC1CCCCC1 62a_100000211423_100000748298 [0,1,0,1,0,0|2,0,0]=4 15264 B17R1.18527 CCOC(=O)CCC(C)SCC1CCCCC1 62a_100000748298_100000211423 [0,1,0,1,0,0|2,0,0]=4 15265 B17R1.18527 CCOC(=O)CCN(C)CCC1CCCCC1 2230a_100000745921_100012355289 [0,1,0,1,0,0|2,0,0]=4 15266 B17R1.18527 CCOC(=O)CCN(C)CCC1CCCCC1 269982a_100000745921_100011273959 [0,1,0,1,0,0|2,0,0]=4 15267 B17R1.25642 CCCOC1CCCN(C1)CCC(=O)NCC 2230a_100000743837_100000737597 [0,1,0,1,0,0|2,0,0]=4 15268 B17R1.25642 CCCOC1CCCN(C1)CCC(=O)NCC 269982a_100000743837_100000737597 [0,1,0,1,0,0|2,0,0]=4 15269 B17R1.25642 CCNC(=O)CCN1CCCC(C1)CCCO 2230a_100150707839_100000737597 [0,1,0,1,0,0|2,0,0]=4 15270 B17R1.25642 CCNC(=O)CCN1CCCC(C1)CCCO 269982a_100150707839_100000737597 [0,1,0,1,0,0|2,0,0]=4 15271 B17R1.25642 CCNC(=O)CCN1CCCC(C1)CCOC 2230a_100011653411_100000737597 [0,1,0,1,0,0|2,0,0]=4 15272 B17R1.25642 CCNC(=O)CCN1CCCC(C1)CCOC 269982a_100011653411_100000737597 [0,1,0,1,0,0|2,0,0]=4 15273 B17R1.29167 CCCOCC1CCN(C1)CCC(=O)NCC 2230a_200011652792_100000737597 [0,1,0,1,0,0|2,0,0]=4 15274 B17R1.29167 CCCOCC1CCN(C1)CCC(=O)NCC 269982a_200011652792_100000737597 [0,1,0,1,0,0|2,0,0]=4 15275 B17R1.31017 CCNC(=O)CCC(=O)CCCC1CCCC1 1458a_100000199579_100011713738 [0,1,0,1,0,0|0,0,1]=3 15276 B17R1.31017 CCNC(=O)CCC(=O)CCCN1CCCC1 1458a_100000199579_100011445909 [0,1,0,1,0,0|1,0,1]=4 15277 B17R1.31017 CCNC(=O)CCC(=O)NCCC1CCCC1 11a_100000739158_100000199579 [0,1,0,1,0,0|1,0,1]=4 15278 B17R1.31017 CCNC(=O)CCC(=O)NCCC1CCCC1 1626a_100000739158_100000199579 [0,1,0,1,0,0|1,0,1]=4 15279 B17R1.31017 CCNC(=O)CCC(=O)NCCC1CCCC1 240690a_100000739158_100000199579 [0,1,0,1,0,0|1,0,1]=4 15280 B17R1.31017 CCNC(=O)CCN(C)CCCC1CCCC1 2230a_100015186261_100000737597 [0,1,0,1,0,0|1,0,0]=3 15281 B17R1.31017 CCNC(=O)CCN(C)CCCC1CCCC1 269982a_100015186261_100000737597 [0,1,0,1,0,0|1,0,0]=3 15282 B17R1.31017 CCNC(=O)CCN(C)CCCC1CCCO1 2230a_100011698863_100000737597 [0,1,0,1,0,0|2,0,0]=4 15283 B17R1.31017 CCNC(=O)CCN(C)CCCC1CCCO1 269982a_100011698863_100000737597 [0,1,0,1,0,0|2,0,0]=4 15284 B17R1.31017 CCNC(=O)CCN(C)CCCN1CCCC1 269982a_100000233079_100000737597 [0,1,0,1,0,0|2,0,0]=4 15285 B17R1.31017 CCOC(=O)CCC(=O)CCCC1CCCC1 1458a_100000183558_100011713738 [0,1,0,1,0,0|1,0,1]=4 15286 B17R1.31017 CCOC(=O)CCC(C)NCCC1CCCC1 2230a_100000739158_100000748298 [0,1,0,1,0,0|2,0,0]=4 15287 B17R1.31017 CCOC(=O)CCC(C)NCCC1CCCC1 34a_100000739158_100000748298 [0,1,0,1,0,0|2,0,0]=4 15288 B17R1.31017 CCOC(=O)CCC(C)OCCC1CCCC1 34a_100000749090_100000748298 [0,1,0,1,0,0|2,0,0]=4 15289 B17R1.31017 CCOC(=O)CCC(C)OCCC1CCCC1 7a_100000749090_100000748298 [0,1,0,1,0,0|2,0,0]=4 15290 B17R1.31017 CCOC(=O)CCC(C)SCCC1CCCC1 62a_100000748298_100000760354 [0,1,0,1,0,0|2,0,0]=4 15291 B17R1.31017 CCOC(=O)CCC(C)SCCC1CCCC1 62a_100000760354_100000748298 [0,1,0,1,0,0|2,0,0]=4 15292 B17R1.31017 CCOC(=O)CCN(C)CCCC1CCCC1 2230a_100000745921_100011713738 [0,1,0,1,0,0|2,0,0]=4 15293 B17R1.31017 CCOC(=O)CCN(C)CCCC1CCCC1 2230a_100015186261_100011206558 [0,1,0,1,0,0|2,0,0]=4 15294 B17R1.31017 CCOC(=O)CCN(C)CCCC1CCCC1 269982a_100000745921_100011713738 [0,1,0,1,0,0|2,0,0]=4 15295 B17R1.31017 CCOC(=O)CCN(C)CCCC1CCCC1 269982a_100015186261_100011206558 [0,1,0,1,0,0|2,0,0]=4 15296 B17R1.31017 CCOC(=O)CCN(C)CCCC1CCCC1 34a_100015186261_100000765890 [0,1,0,1,0,0|2,0,0]=4 15297 B17R1.34666 CCCCCCCCC(C)OCC(=O)C1CC1 34a_100000210740_100000746382 [0,1,0,1,0,0|2,0,0]=4 15298 B17R1.34666 CCCCCCCCC(C)OCC(=O)C1CC1 7a_100000210740_100000746382 [0,1,0,1,0,0|2,0,0]=4 15299 B17R1.49990 CCNC(=O)CCC(=O)N1CCCCCCC1 11a_100000211400_100000199579 [0,1,0,1,0,0|1,0,1]=4 15300 B17R1.49990 CCNC(=O)CCC(=O)N1CCCCCCC1 1626a_100000211400_100000199579 [0,1,0,1,0,0|1,0,1]=4 15301 B17R1.49990 CCNC(=O)CCC(=O)N1CCCCCCC1 240690a_100000211400_100000199579 [0,1,0,1,0,0|1,0,1]=4 15302 B17R1.49990 CCOC(=O)CCC(C)N1CCCCCCC1 2230a_100000211400_100000748298 [0,1,0,1,0,0|2,0,0]=4 15303 B17R1.49990 CCOC(=O)CCC(C)N1CCCCCCC1 269982a_100000211400_100000748298 [0,1,0,1,0,0|2,0,0]=4 15304 B17R1.49990 CCOC(=O)CCC(C)N1CCCCCCC1 34a_100000211400_100000748298 [0,1,0,1,0,0|2,0,0]=4 15305 B17R1.50100 CCNC(=O)CCC(=O)CC1CCCCCC1 1458a_100000199579_200000696569 [0,1,0,1,0,0|0,0,1]=3 15306 B17R1.50100 CCNC(=O)CCC(=O)NC1CCCCCC1 11a_100000210984_100000199579 [0,1,0,1,0,0|1,0,1]=4 15307 B17R1.50100 CCNC(=O)CCC(=O)NC1CCCCCC1 11a_100015525214_100000199708 [0,1,0,1,0,0|1,0,1]=4 15308 B17R1.50100 CCNC(=O)CCC(=O)NC1CCCCCC1 1626a_100000210984_100000199579 [0,1,0,1,0,0|1,0,1]=4 15309 B17R1.50100 CCNC(=O)CCC(=O)NC1CCCCCC1 240690a_100000210984_100000199579 [0,1,0,1,0,0|1,0,1]=4 15310 B17R1.50100 CCNC(=O)CCC(=O)NC1CCCCCC1 240690a_100015525214_100000199708 [0,1,0,1,0,0|1,0,1]=4 15311 B17R1.50100 CCNC(=O)CCC(=O)NC1CCCCCC1 527a_100015525214_100000199708 [0,1,0,1,0,0|1,0,1]=4 15312 B17R1.50100 CCNC(=O)CNC(=O)CC1CCCCCC1 11a_100016988866_100000685095 [0,1,0,1,0,0|1,0,1]=4 15313 B17R1.50100 CCNC(=O)CNC(=O)CC1CCCCCC1 1626a_100016988866_100000685095 [0,1,0,1,0,0|1,0,1]=4 15314 B17R1.50100 CCNC(=O)CNC(=O)CC1CCCCCC1 240690a_100016988866_100000685095 [0,1,0,1,0,0|1,0,1]=4 15315 B17R1.50100 CCNC(=O)CNC(=O)CC1CCCCCC1 527a_100016988866_100000685095 [0,1,0,1,0,0|1,0,1]=4 15316 B17R1.50100 CCOC(=O)CCC(=O)CC1CCCCCC1 1458a_100000183558_200000696569 [0,1,0,1,0,0|1,0,1]=4 15317 B17R1.50100 CCOC(=O)CCC(C)NC1CCCCCC1 2230a_100000210984_100000748298 [0,1,0,1,0,0|2,0,0]=4 15318 B17R1.50100 CCOC(=O)CCC(C)NC1CCCCCC1 34a_100000210984_100000748298 [0,1,0,1,0,0|2,0,0]=4 15319 B17R1.50100 CCOC(=O)CCC(C)OC1CCCCCC1 34a_100000210887_100000748298 [0,1,0,1,0,0|2,0,0]=4 15320 B17R1.50100 CCOC(=O)CCC(C)OC1CCCCCC1 7a_100000210887_100000748298 [0,1,0,1,0,0|2,0,0]=4 15321 B17R1.50100 CCOC(=O)CCC(C)SC1CCCCCC1 62a_100000748298_100011217769 [0,1,0,1,0,0|2,0,0]=4 15322 B17R1.50100 CCOC(=O)CCC(C)SC1CCCCCC1 62a_100011217769_100000748298 [0,1,0,1,0,0|2,0,0]=4 15323 B17R1.50100 CCOC(=O)CCN(C)CC1CCCCCC1 2230a_100000745921_200000696569 [0,1,0,1,0,0|2,0,0]=4 15324 B17R1.50100 CCOC(=O)CCN(C)CC1CCCCCC1 269982a_100000745921_200000696569 [0,1,0,1,0,0|2,0,0]=4 15325 B17R1.1484 CCCCCCCCCN(C)CC1=NCCN1 269982a_100000232482_100000737910 [0,1,0,1,0,0|2,0,0]=4 15326 B17R1.4571 CCNC(=O)CC(=O)CCC1CCCCN1C 1458a_100000718493_100000183381 [0,1,0,1,0,0|1,0,1]=4 15327 B17R1.4571 CCNC(=O)CC(=O)COC1CCCCC1C 1458a_100011223357_100000183381 [0,1,0,1,0,0|1,0,1]=4 15328 B17R1.4571 CCNC(=O)CN(C)CCC1CCCCN1C 2230a_100000741943_100000211948 [0,1,0,1,0,0|2,0,0]=4 15329 B17R1.4571 CCNC(=O)CN(C)CCC1CCCCN1C 269982a_100000741943_100000211948 [0,1,0,1,0,0|2,0,0]=4 15330 B17R1.4571 CCNC(=O)CN(C)CCN1CCCCC1C 2230a_200011233311_100000183381 [0,1,0,1,0,0|2,0,0]=4 15331 B17R1.4571 CCNC(=O)CN(C)CCN1CCCCC1C 269982a_200011233311_100000183381 [0,1,0,1,0,0|2,0,0]=4 15332 B17R1.4571 CCOC(=O)C[C@H](O)CNC1CCCCC1C 34a_100000211402_100000688340 [0,1,0,1,0,0|2,0,0]=4 15333 B17R1.4571 CCOC(=O)C[C@H](O)COC1CCCCC1C 34a_100000211207_100000688340 [0,1,0,1,0,0|2,0,0]=4 15334 B17R1.4571 CCOC(=O)C[C@H](O)COC1CCCCC1C 7a_100000211207_100000688340 [0,1,0,1,0,0|2,0,0]=4 15335 B17R1.4582 CCOC(=O)CC(C)NCCCC1CCCC1 2230a_100000736752_100009817359 [0,1,0,1,0,0|2,0,0]=4 15336 B17R1.4582 CCOC(=O)CC(C)OCCCC1CCCC1 7a_100011215328_100009817359 [0,1,0,1,0,0|2,0,0]=4 15337 B17R1.4582 CCOC(=O)CC(C)SCCCC1CCCC1 62a_100009817359_100011713738 [0,1,0,1,0,0|2,0,0]=4 15338 B17R1.4582 CCOC(=O)CC(C)SCCCC1CCCC1 62a_100011713738_100009817359 [0,1,0,1,0,0|2,0,0]=4 15339 B17R1.4582 CCOC(=O)C[C@@H](C)OCCCC1CCCC1 7a_100009816390_100011713738 [0,1,0,1,0,0|2,0,0]=4 15340 B17R1.4582 CCOC(=O)C[C@H](O)CNCCC1CCCC1 34a_100000739158_100000688340 [0,1,0,1,0,0|2,0,0]=4 15341 B17R1.4582 CCOC(=O)C[C@H](O)COCCC1CCCC1 34a_100000749090_100000688340 [0,1,0,1,0,0|2,0,0]=4 15342 B17R1.4582 CCOC(=O)C[C@H](O)COCCC1CCCC1 7a_100000749090_100000688340 [0,1,0,1,0,0|2,0,0]=4 15343 B17R1.4582 CCOC(=O)C[C@H](O)CSCCC1CCCC1 62a_100000688340_100000760354 [0,1,0,1,0,0|2,0,0]=4 15344 B17R1.4582 CCOC(=O)C[C@H](O)CSCCC1CCCC1 62a_100000760354_100000688340 [0,1,0,1,0,0|2,0,0]=4 15345 B17R1.10668 CCCCCCN1CC[C@@H](C1)CC(=O)OCC 2230a_106256037354_100000210314 [0,1,0,1,0,0|2,0,0]=4 15346 B17R1.10668 CCCCCCN1CC[C@@H](C1)CC(=O)OCC 269982a_106256037354_100000210757 [0,1,0,1,0,0|2,0,0]=4 15347 B17R1.10685 CCCCCCCCCC(=O)CC(=O)C1CC1 1458a_100000210558_100000746382 [0,1,0,1,0,0|1,0,1]=4 15348 B17R1.10685 CCCCCCCCCN(C)CC(=O)C1CC1 2230a_100000232482_100000746382 [0,1,0,1,0,0|2,0,0]=4 15349 B17R1.10685 CCCCCCCCCN(C)CC(=O)C1CC1 269982a_100000232482_100000746382 [0,1,0,1,0,0|2,0,0]=4 15350 B17R1.18145 CCCC1CCCCC1N(C)CC(=O)NCC 270004a_100000741943_100011218038 [0,1,0,1,0,0|1,0,0]=3 15351 B17R1.18145 CCCC1CCCCC1N(C)CC(=O)OCC 270004a_100000220588_100011218038 [0,1,0,1,0,0|2,0,0]=4 15352 B17R1.18145 CCCC1CCCCN1C(C)CC(=O)OCC 2230a_100000701414_100009817359 [0,1,0,1,0,0|2,0,0]=4 15353 B17R1.18145 CCCC1CCCCN1C(C)CC(=O)OCC 269982a_100000701414_100009817359 [0,1,0,1,0,0|2,0,0]=4 15354 B17R1.18145 CCCN1CCCCC1C(=O)CC(=O)NCC 1458a_100000743559_100000183381 [0,1,0,1,0,0|1,0,1]=4 15355 B17R1.18145 CCNC(=O)CN(C)C1CCCCC1OCC 270004a_100000741943_200000031474 [0,1,0,1,0,0|2,0,0]=4 15356 B17R1.18502 CCCCCCCCCC(=O)C1CCCC1=O 1458a_100000210558_100000211823 [0,1,0,1,0,0|1,0,1]=4 15357 B17R1.18502 CCCCCCCCCC(=O)C1CCOC1=O 1458a_100000210558_100000211211 [0,1,0,1,0,0|1,0,1]=4 15358 B17R1.18502 CCCCCCCCCN(C)C1CCCC1=O 2230a_100000232482_100000211823 [0,1,0,1,0,0|2,0,0]=4 15359 B17R1.18502 CCCCCCCCCN(C)C1CCCC1=O 269982a_100000232482_100000211823 [0,1,0,1,0,0|2,0,0]=4 15360 B17R1.18502 CCCCCCCCCN(C)C1CCOC1=O 2230a_100000232482_100000211211 [0,1,0,1,0,0|2,0,0]=4 15361 B17R1.18502 CCCCCCCCCN(C)C1CCOC1=O 269982a_100000232482_100000211211 [0,1,0,1,0,0|2,0,0]=4 15362 B17R1.21825 CCOC(=O)CC(C)OC1CCCCC1CC 7a_100000210738_100009817359 [0,1,0,1,0,0|2,0,0]=4 15363 B17R1.21825 CCOC(=O)C[C@H](O)CN1CCCCC1CC 269982a_100000210034_100000688340 [0,1,0,1,0,0|2,0,0]=4 15364 B17R1.21825 CCOC(=O)C[C@H](O)CN1CCCCC1CC 34a_100000210034_100000688340 [0,1,0,1,0,0|2,0,0]=4 15365 B17R1.22068 CCCC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000747444 [0,1,0,1,0,0|1,0,1]=4 15366 B17R1.22068 CCNC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000183381 [0,1,0,1,0,0|0,0,1]=3 15367 B17R1.22068 CCNC(=O)CC(=O)CCCN1CCCCC1 1458a_100000742516_100000183381 [0,1,0,1,0,0|1,0,1]=4 15368 B17R1.22068 CCNC(=O)CN(C)CCCC1CCCCC1 2230a_100000741943_100011713725 [0,1,0,1,0,0|1,0,0]=3 15369 B17R1.22068 CCNC(=O)CN(C)CCCC1CCCCC1 269982a_100000741943_100011713725 [0,1,0,1,0,0|1,0,0]=3 15370 B17R1.22068 CCNC(=O)CN(C)CCCN1CCCCC1 2230a_100000741943_100000690320 [0,1,0,1,0,0|2,0,0]=4 15371 B17R1.22068 CCNC(=O)CN(C)CCCN1CCCCC1 269982a_100000741943_100000690320 [0,1,0,1,0,0|2,0,0]=4 15372 B17R1.22068 CCNC(=O)CN(C)CCOC1CCCCC1 2230a_100000741943_100011211530 [0,1,0,1,0,0|2,0,0]=4 15373 B17R1.22068 CCNC(=O)CN(C)CCOC1CCCCC1 269982a_100000741943_100011211530 [0,1,0,1,0,0|2,0,0]=4 15374 B17R1.22068 CCOC(=O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000188475 [0,1,0,1,0,0|1,0,1]=4 15375 B17R1.22068 CCOC(=O)CC(=O)CCCC1CCCCC1 1458a_100000243816_100011713725 [0,1,0,1,0,0|1,0,1]=4 15376 B17R1.22068 CCOC(=O)CC(C)NCCC1CCCCC1 2230a_100000738074_100009817359 [0,1,0,1,0,0|2,0,0]=4 15377 B17R1.22068 CCOC(=O)CC(C)OCCC1CCCCC1 7a_100011217863_100009817359 [0,1,0,1,0,0|2,0,0]=4 15378 B17R1.22068 CCOC(=O)CC(C)SCCC1CCCCC1 62a_100009817359_100012355289 [0,1,0,1,0,0|2,0,0]=4 15379 B17R1.22068 CCOC(=O)CC(C)SCCC1CCCCC1 62a_100012355289_100009817359 [0,1,0,1,0,0|2,0,0]=4 15380 B17R1.22068 CCOC(=O)CN(C)CCCC1CCCCC1 2230a_100000220588_100011713725 [0,1,0,1,0,0|2,0,0]=4 15381 B17R1.22068 CCOC(=O)C[C@@H](C)OCCC1CCCCC1 7a_100009816390_100011273959 [0,1,0,1,0,0|2,0,0]=4 15382 B17R1.22068 CCOC(=O)C[C@H](O)CNCC1CCCCC1 34a_100000210473_100000688340 [0,1,0,1,0,0|2,0,0]=4 15383 B17R1.22068 CCOC(=O)C[C@H](O)COCC1CCCCC1 34a_100000212181_100000688340 [0,1,0,1,0,0|2,0,0]=4 15384 B17R1.22068 CCOC(=O)C[C@H](O)COCC1CCCCC1 7a_100000212181_100000688340 [0,1,0,1,0,0|2,0,0]=4 15385 B17R1.22068 CCOC(=O)C[C@H](O)CSCC1CCCCC1 62a_100000211423_100000688340 [0,1,0,1,0,0|2,0,0]=4 15386 B17R1.22068 CCOC(=O)C[C@H](O)CSCC1CCCCC1 62a_100000688340_100000211423 [0,1,0,1,0,0|2,0,0]=4 15387 B17R1.22068 O=C(CCCC1CCCCC1)CC(=O)NCO 1458a_100000211478_100000185155 [0,1,0,1,0,0|1,0,1]=4 15388 B17R1.25267 CCCCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100011214924 [0,1,0,1,0,0|1,0,0]=3 15389 B17R1.25267 O=C1CN(CCCN1)CCCCCCCCO 2230a_100015190381_100000033203 [0,1,0,1,0,0|2,0,0]=4 15390 B17R1.26120 CCCCC1CCCC1N(C)CC(=O)NCC 270004a_100000741943_100000750825 [0,1,0,1,0,0|1,0,0]=3 15391 B17R1.26120 CCCCC1CCCC1N(C)CC(=O)OCC 270004a_100000220588_100000750825 [0,1,0,1,0,0|2,0,0]=4 15392 B17R1.29438 CCCCCN1CCCC(C1)CC(=O)OCC 2230a_100015200144_100000210326 [0,1,0,1,0,0|2,0,0]=4 15393 B17R1.29438 CCCCCN1CCCC(C1)CC(=O)OCC 269982a_100015200144_100000210215 [0,1,0,1,0,0|2,0,0]=4 15394 B17R1.29438 CCNC(=O)CN1CCCC(C1)CCCOC 2230a_200011934583_100000183381 [0,1,0,1,0,0|2,0,0]=4 15395 B17R1.29438 CCNC(=O)CN1CCCC(C1)CCCOC 269982a_200011934583_100000183381 [0,1,0,1,0,0|2,0,0]=4 15396 B17R1.29438 CCNC(=O)CN1CCCC(C1)CCCOC 34a_200011934583_100000183381 [0,1,0,1,0,0|2,0,0]=4 15397 B17R1.36922 CCNC(=O)CN(C)C1CCCCCCCC1 270004a_100000741943_100000038600 [0,1,0,1,0,0|1,0,0]=3 15398 B17R1.36922 CCOC(=O)CC(C)N1CCCCCCCC1 2230a_100000039187_100009817359 [0,1,0,1,0,0|2,0,0]=4 15399 B17R1.36922 CCOC(=O)CC(C)N1CCCCCCCC1 269982a_100000039187_100009817359 [0,1,0,1,0,0|2,0,0]=4 15400 B17R1.36922 CCOC(=O)CN(C)C1CCCCCCCC1 270004a_100000220588_100000038600 [0,1,0,1,0,0|2,0,0]=4 15401 B17R1.36949 CCNC(=O)CC(=O)CCN1CCCCCC1 1458a_100000740320_100000183381 [0,1,0,1,0,0|1,0,1]=4 15402 B17R1.36949 CCNC(=O)CN(C)CCN1CCCCCC1 269982a_100000741943_100000722644 [0,1,0,1,0,0|2,0,0]=4 15403 B17R1.36949 CCNC(=O)CN(C)CCN1CCCCCC1 269982a_106744473495_100000183381 [0,1,0,1,0,0|2,0,0]=4 15404 B17R1.36949 CCOC(=O)CC(C)NCC1CCCCCC1 2230a_100015204231_100009817359 [0,1,0,1,0,0|2,0,0]=4 15405 B17R1.36949 CCOC(=O)CC(C)OCC1CCCCCC1 7a_100000699130_100009817359 [0,1,0,1,0,0|2,0,0]=4 15406 B17R1.36949 CCOC(=O)CC(C)SCC1CCCCCC1 62a_100009817359_200000696569 [0,1,0,1,0,0|2,0,0]=4 15407 B17R1.36949 CCOC(=O)CC(C)SCC1CCCCCC1 62a_200000696569_100009817359 [0,1,0,1,0,0|2,0,0]=4 15408 B17R1.36949 CCOC(=O)C[C@@H](C)OCC1CCCCCC1 7a_100009816390_200000696569 [0,1,0,1,0,0|2,0,0]=4 15409 B17R1.36949 CCOC(=O)C[C@H](O)CNC1CCCCCC1 34a_100000210984_100000688340 [0,1,0,1,0,0|2,0,0]=4 15410 B17R1.36949 CCOC(=O)C[C@H](O)COC1CCCCCC1 34a_100000210887_100000688340 [0,1,0,1,0,0|2,0,0]=4 15411 B17R1.36949 CCOC(=O)C[C@H](O)COC1CCCCCC1 7a_100000210887_100000688340 [0,1,0,1,0,0|2,0,0]=4 15412 B17R1.36949 CCOC(=O)C[C@H](O)CSC1CCCCCC1 62a_100000688340_100011217769 [0,1,0,1,0,0|2,0,0]=4 15413 B17R1.36949 CCOC(=O)C[C@H](O)CSC1CCCCCC1 62a_100011217769_100000688340 [0,1,0,1,0,0|2,0,0]=4 15414 B17R1.37138 CCOC(=O)CC(C)NC1CCCCCCC1 2230a_100000211152_100009817359 [0,1,0,1,0,0|2,0,0]=4 15415 B17R1.37138 CCOC(=O)CC(C)OC1CCCCCCC1 7a_100000210054_100009817359 [0,1,0,1,0,0|2,0,0]=4 15416 B17R1.37138 CCOC(=O)C[C@H](O)CN1CCCCCCC1 269982a_100000211400_100000688340 [0,1,0,1,0,0|2,0,0]=4 15417 B17R1.37138 CCOC(=O)C[C@H](O)CN1CCCCCCC1 34a_100000211400_100000688340 [0,1,0,1,0,0|2,0,0]=4 15418 B17R1.165832 CCCCCCOC1CC(C1)CC(=O)OCC 7a_100010742785_100000210314 [0,1,0,1,0,0|2,0,0]=4 15419 B17R1.309 CCCCCCN1CCC[C@@H](C1)C(=O)OCC 2230a_100000759086_100000210314 [0,1,0,1,0,0|2,0,0]=4 15420 B17R1.309 CCCCCCN1CCC[C@@H](C1)C(=O)OCC 269982a_100000759086_100000210757 [0,1,0,1,0,0|2,0,0]=4 15421 B17R1.309 CCCCCOC1CCCC(C1)C(=O)OCC 7a_100011934014_100000210326 [0,1,0,1,0,0|2,0,0]=4 15422 B17R1.742 CCCCCCC(C)OCC1CCNC(=O)C1 34a_100009886756_100011215978 [0,1,0,1,0,0|1,0,0]=3 15423 B17R1.956 CCNC(=O)CCNCC(=O)C1CCCCC1 34a_100025743525_100000241979 [0,1,0,1,0,0|1,0,1]=4 15424 B17R1.956 CCNC(=O)CCSCC(=O)C1CCCCC1 62a_100000241979_100000737597 [0,1,0,1,0,0|1,0,1]=4 15425 B17R1.956 CCNC(=O)CCSCC(=O)C1CCCCC1 62a_100000737597_100000241979 [0,1,0,1,0,0|1,0,1]=4 15426 B17R1.956 CCNC(=O)COCCC(N)C1CCCCC1 34a_200020622111_100000183381 [0,1,0,1,0,0|1,0,0]=3 15427 B17R1.956 CCOC(=O)CCCCC(=O)C1CCCCC1 1458a_100000210647_100000750268 [0,1,0,1,0,0|1,0,1]=4 15428 B17R1.956 CCOC(=O)CCCCC(=O)C1CCCCC1 1458a_100011217402_100000210327 [0,1,0,1,0,0|1,0,1]=4 15429 B17R1.956 CCOC(=O)CCCCN(C)C1CCCCC1 2230a_100000207522_100000750268 [0,1,0,1,0,0|2,0,0]=4 15430 B17R1.956 CCOC(=O)CCCCN(C)C1CCCCC1 269982a_100000207522_100000750268 [0,1,0,1,0,0|2,0,0]=4 15431 B17R1.956 CCOC(=O)CCCCN(C)C1CCCCC1 34a_100000207522_100000750268 [0,1,0,1,0,0|2,0,0]=4 15432 B17R1.956 CCOC(=O)CCCN[C@H](C)C1CCCCC1 2230a_100025707633_100009991533 [0,1,0,1,0,0|2,0,0]=4 15433 B17R1.956 CCOC(=O)CCCN[C@H](C)C1CCCCC1 34a_100025707633_100009991533 [0,1,0,1,0,0|2,0,0]=4 15434 B17R1.956 CCOC(=O)CCCOC(C)C1CCCCC1 34a_100011216961_100009991533 [0,1,0,1,0,0|2,0,0]=4 15435 B17R1.956 CCOC(=O)CCCOC(C)C1CCCCC1 7a_100011216961_100011215271 [0,1,0,1,0,0|2,0,0]=4 15436 B17R1.956 CCOC(=O)CCOC[C@H](N)C1CCCCC1 34a_100009817630_100000765890 [0,1,0,1,0,0|2,0,0]=4 15437 B17R1.956 CCOC(=O)COCCC(N)C1CCCCC1 34a_200020622111_100000188475 [0,1,0,1,0,0|2,0,0]=4 15438 B17R1.956 NC(CCOCC(=O)NCO)C1CCCCC1 34a_200020622111_100000185155 [0,1,0,1,0,0|2,0,0]=4 15439 B17R1.1003 CCNC(=O)CCOCC(C)CN1CCCC1 7a_200011934648_100000737597 [0,1,0,1,0,0|2,0,0]=4 15440 B17R1.1003 CCOC(=O)CCCCC(=O)CC1CCCC1 1458a_100000210891_100000750268 [0,1,0,1,0,0|1,0,1]=4 15441 B17R1.1003 CCOC(=O)CCCCC(=O)CC1CCCC1 1458a_100011217402_100000740388 [0,1,0,1,0,0|1,0,1]=4 15442 B17R1.5086 CCCCCCC(C)CCOCC1=NCCN1 34a_200011024964_100000737910 [0,1,0,1,0,0|2,0,0]=4 15443 B17R1.5086 CCCCCCC(C)CCOCC1=NCCN1 7a_200011024964_100000737910 [0,1,0,1,0,0|2,0,0]=4 15444 B17R1.6494 CCCCCCC(C)CCOC1CCCC1=O 34a_200011024964_100000709159 [0,1,0,1,0,0|2,0,0]=4 15445 B17R1.6494 CCCCCCC(C)CCOC1CCCC1=O 7a_200011024964_100000211823 [0,1,0,1,0,0|2,0,0]=4 15446 B17R1.6494 CCCCCCC(C)CCOC1CCOC1=O 34a_200011024964_100000211211 [0,1,0,1,0,0|2,0,0]=4 15447 B17R1.6494 CCCCCCC(C)CCOC1CCOC1=O 7a_200011024964_100000211211 [0,1,0,1,0,0|2,0,0]=4 15448 B17R1.6494 CCCCCCC(C)NCCN1CCNC1=O 2230a_100000210919_100000090651 [0,1,0,1,0,0|2,0,0]=4 15449 B17R1.6494 CCCCCCC(C)NCCN1CCNC1=O 2230a_100011207550_100011215978 [0,1,0,1,0,0|2,0,0]=4 15450 B17R1.6494 CCCCCCC(C)NCCN1CCNC1=O 270004a_100011207550_100000210826 [0,1,0,1,0,0|2,0,0]=4 15451 B17R1.6494 CCCCCCC(C)OCCN1CCNC1=O 34a_100000216532_100011215978 [0,1,0,1,0,0|2,0,0]=4 15452 B17R1.6494 CCCCCCC(C)OCCN1CCNC1=O 7a_100000210265_100000090651 [0,1,0,1,0,0|2,0,0]=4 15453 B17R1.6494 CCCCCCC(C)SCCN1CCNC1=O 62a_100000090651_100011215978 [0,1,0,1,0,0|2,0,0]=4 15454 B17R1.6494 CCCCCCC(C)SCCN1CCNC1=O 62a_100011215978_100000090651 [0,1,0,1,0,0|2,0,0]=4 15455 B17R1.21371 CCOC(=O)CCCCC(=O)C1CCCC1C 1458a_100000690547_100000750268 [0,1,0,1,0,0|1,0,1]=4 15456 B17R1.30815 CCNC(=O)CCNCC1CCCN(C1)CC 2230a_100000747413_100000737597 [0,1,0,1,0,0|2,0,0]=4 15457 B17R1.30815 CCNC(=O)CCOCC1CCCN(C1)CC 7a_200000227639_100000737597 [0,1,0,1,0,0|2,0,0]=4 15458 B17R1.30815 CCOC(=O)CCCOC1CCCC(C1)CC 7a_100011985506_100011215271 [0,1,0,1,0,0|2,0,0]=4 15459 B17R1.40261 CCCCCCC(C)CCOCC(=O)C1CC1 34a_200011024964_100000746382 [0,1,0,1,0,0|2,0,0]=4 15460 B17R1.40261 CCCCCCC(C)CCOCC(=O)C1CC1 7a_200011024964_100000746382 [0,1,0,1,0,0|2,0,0]=4 15461 B17R1.126320 CCOC(=O)CCCNC1(CCCCCC1)C 2230a_100000704638_100009991533 [0,1,0,1,0,0|2,0,0]=4 15462 B17R1.126320 CCOC(=O)CCCNC1(CCCCCC1)C 34a_100000704638_100009991533 [0,1,0,1,0,0|2,0,0]=4 15463 B17R1.126320 CCOC(=O)CCCOC1(CCCCCC1)C 34a_100000708895_100009991533 [0,1,0,1,0,0|2,0,0]=4 15464 B17R1.126320 CCOC(=O)CCCOC1(CCCCCC1)C 7a_100000708895_100011215271 [0,1,0,1,0,0|2,0,0]=4 15465 B17R1.1531 CCCCC(C)NCCCN1CCNC(=O)C1 2230a_100000757908_200011215066 [0,1,0,1,0,0|2,0,0]=4 15466 B17R1.1531 CCCCC(C)NCCCN1CCNC(=O)C1 270004a_100000757908_100000210087 [0,1,0,1,0,0|2,0,0]=4 15467 B17R1.1576 C=CCNC(=O)CCNCCCC1CCCC1 2230a_100000736752_100011222895 [0,1,0,1,0,0|1,0,1]=4 15468 B17R1.1576 C=CCNC(=O)CCOCCCC1CCCC1 7a_100011215328_100011222895 [0,1,0,1,0,0|1,0,1]=4 15469 B17R1.1576 C=CCNC(=O)CCSCCCC1CCCC1 62a_100011222895_100011713738 [0,1,0,1,0,0|1,0,1]=4 15470 B17R1.1576 C=CCNC(=O)CCSCCCC1CCCC1 62a_100011713738_100011222895 [0,1,0,1,0,0|1,0,1]=4 15471 B17R1.1576 CCCCC(C)CCCCOCC1=NCCN1 34a_200011021034_100000737910 [0,1,0,1,0,0|2,0,0]=4 15472 B17R1.1576 CCCCC(C)CCCCOCC1=NCCN1 7a_200011021034_100000737910 [0,1,0,1,0,0|2,0,0]=4 15473 B17R1.1576 CCCNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011194427 [0,1,0,1,0,0|1,0,0]=3 15474 B17R1.1576 CCCNC(=O)CCCOCCC1CCCC1 7a_100000749090_100011194427 [0,1,0,1,0,0|1,0,0]=3 15475 B17R1.1576 CCCNC(=O)CCCSCCC1CCCC1 62a_100000760354_100011194427 [0,1,0,1,0,0|1,0,0]=3 15476 B17R1.1576 CCCNC(=O)CCCSCCC1CCCC1 62a_100011194427_100000760354 [0,1,0,1,0,0|1,0,0]=3 15477 B17R1.1576 CCCNC(=O)CCCSCCN1CCCC1 62a_100000700749_100011194427 [0,1,0,1,0,0|2,0,0]=4 15478 B17R1.1576 CCCNC(=O)CCCSCCN1CCCC1 62a_100011194427_100000004467 [0,1,0,1,0,0|2,0,0]=4 15479 B17R1.1576 CCCNC(=O)CNCCCOC1CCCC1 34a_100000747560_100000183358 [0,1,0,1,0,0|2,0,0]=4 15480 B17R1.1576 CCCNC(=O)NCCCCCN1CCCC1 2708a_100011491779_100020643023 [0,1,0,1,0,0|2,0,0]=4 15481 B17R1.1576 CCCNC(=O)NCCCCCN1CCCC1 2708a_100020643023_100011491779 [0,1,0,1,0,0|2,0,0]=4 15482 B17R1.1576 CCCNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100020643023 [0,1,0,1,0,0|2,0,0]=4 15483 B17R1.1576 CCCNC(=O)NCCCCCN1CCCC1 273464a_100020643023_100011491779 [0,1,0,1,0,0|2,0,0]=4 15484 B17R1.1576 CCCNC(=O)NCCCCCN1CCCC1 512a_100020643023_100011491779 [0,1,0,1,0,0|2,0,0]=4 15485 B17R1.1576 CCNNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100000756455 [0,1,0,1,0,0|2,0,0]=4 15486 B17R1.1576 CCNNC(=O)NCCCCCN1CCCC1 512a_100000756455_100011491779 [0,1,0,1,0,0|2,0,0]=4 15487 B17R1.1576 O=C(NCCF)NCCCCCN1CCCC1 2708a_100011491779_100000724931 [0,1,0,1,0,0|2,0,0]=4 15488 B17R1.1576 O=C(NCCF)NCCCCCN1CCCC1 273464a_100000724931_100011491779 [0,1,0,1,0,0|2,0,0]=4 15489 B17R1.1576 O=C(NCCF)NCCCCCN1CCCC1 273464a_100011491779_100000724931 [0,1,0,1,0,0|2,0,0]=4 15490 B17R1.1576 O=C(NCCO)NCCCCCN1CCCC1 2708a_100011491779_100000210304 [0,1,0,1,0,0|2,0,0]=4 15491 B17R1.1576 O=C(NCCO)NCCCCCN1CCCC1 273464a_100000210304_100011491779 [0,1,0,1,0,0|2,0,0]=4 15492 B17R1.1576 O=C(NCCO)NCCCCCN1CCCC1 273464a_100011491779_100000210304 [0,1,0,1,0,0|2,0,0]=4 15493 B17R1.9738 CCCCC(C)CCCCOC1CCCC1=O 34a_200011021034_100000709159 [0,1,0,1,0,0|2,0,0]=4 15494 B17R1.9738 CCCCC(C)CCCCOC1CCCC1=O 7a_200011021034_100000211823 [0,1,0,1,0,0|2,0,0]=4 15495 B17R1.9738 CCCCC(C)CCCCOC1CCOC1=O 34a_200011021034_100000211211 [0,1,0,1,0,0|2,0,0]=4 15496 B17R1.9738 CCCCC(C)CCCCOC1CCOC1=O 7a_200011021034_100000211211 [0,1,0,1,0,0|2,0,0]=4 15497 B17R1.21318 CCOC(=O)CCCOC1CC(CCC1C)C 34a_100011217446_100009991533 [0,1,0,1,0,0|2,0,0]=4 15498 B17R1.21318 CCOC(=O)CCCOC1CC(CCC1C)C 7a_100011217446_100011215271 [0,1,0,1,0,0|2,0,0]=4 15499 B17R1.22051 CCOC(=O)CCCCCCC(=O)C1CCC1 1458a_100000031895_100000749161 [0,1,0,1,0,0|1,0,1]=4 15500 B17R1.22051 CCOC(=O)CCCCCCC(=O)C1CCC1 1458a_100000209988_100009814379 [0,1,0,1,0,0|1,0,1]=4 15501 B17R1.22051 CCOC(=O)CCCCCCN(C)C1CCC1 2230a_100000758072_100009814379 [0,1,0,1,0,0|2,0,0]=4 15502 B17R1.22051 CCOC(=O)CCCCCCN(C)C1CCC1 269982a_100000758072_100009814379 [0,1,0,1,0,0|2,0,0]=4 15503 B17R1.22051 CCOC(=O)CCCCCCN(C)C1CCC1 34a_100000758072_100009814379 [0,1,0,1,0,0|2,0,0]=4 15504 B17R1.22051 CCOC(=O)CCCCCNC(C)C1CCC1 2230a_100016994624_100000755133 [0,1,0,1,0,0|2,0,0]=4 15505 B17R1.22051 CCOC(=O)CCCCCNC(C)C1CCC1 34a_100016994624_100000755133 [0,1,0,1,0,0|2,0,0]=4 15506 B17R1.22051 CCOC(=O)CCCCCOC(C)C1CCC1 34a_100000766398_100000755133 [0,1,0,1,0,0|2,0,0]=4 15507 B17R1.22051 CCOC(=O)CCCCCOC(C)C1CCC1 7a_100000766398_100000755133 [0,1,0,1,0,0|2,0,0]=4 15508 B17R1.22053 CCOC(=O)CCCCCCC(=O)CC1CC1 1458a_100000031895_100000742324 [0,1,0,1,0,0|1,0,1]=4 15509 B17R1.22053 CCOC(=O)CCCCCCC(=O)CC1CC1 1458a_100000738066_100009814379 [0,1,0,1,0,0|1,0,1]=4 15510 B17R1.22053 CCOC(=O)CCCCCCN(C)CC1CC1 2230a_100000741881_100009814379 [0,1,0,1,0,0|2,0,0]=4 15511 B17R1.22053 CCOC(=O)CCCCCCN(C)CC1CC1 269982a_100000741881_100009814379 [0,1,0,1,0,0|2,0,0]=4 15512 B17R1.29799 CCCCC(C)N1CCCCC1C(=O)OCC 2230a_100016990872_200011215066 [0,1,0,1,0,0|2,0,0]=4 15513 B17R1.29799 CCCCC(C)N1CCCCC1C(=O)OCC 269982a_100016990872_200011215066 [0,1,0,1,0,0|2,0,0]=4 15514 B17R1.29799 CCCCC(C)N1CCCCC1C(=O)OCC 270004a_100016990872_100000210087 [0,1,0,1,0,0|2,0,0]=4 15515 B17R1.29799 CCCNC(=O)C1CCCCC1C(=O)NCC 11a_100015525214_200000199539 [0,1,0,1,0,0|1,0,1]=4 15516 B17R1.29799 CCCNC(=O)C1CCCCC1C(=O)NCC 240690a_100015525214_200000199539 [0,1,0,1,0,0|1,0,1]=4 15517 B17R1.29799 CCCNC(=O)C1CCCCC1C(=O)NCC 527a_100015525214_200000199539 [0,1,0,1,0,0|1,0,1]=4 15518 B17R1.30495 CCCCC(C)O[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_200011215066 [0,1,0,1,0,0|2,0,0]=4 15519 B17R1.30509 CCCCC(C)CCCCOCC(=O)C1CC1 34a_200011021034_100000746382 [0,1,0,1,0,0|2,0,0]=4 15520 B17R1.30509 CCCCC(C)CCCCOCC(=O)C1CC1 7a_200011021034_100000746382 [0,1,0,1,0,0|2,0,0]=4 15521 B17R1.30673 CCOC(=O)CCCCCCN1CC(C1)CC 2230a_100015205115_100009814379 [0,1,0,1,0,0|2,0,0]=4 15522 B17R1.30673 CCOC(=O)CCCCCCN1CC(C1)CC 269982a_100015205115_100009814379 [0,1,0,1,0,0|2,0,0]=4 15523 B17R1.38272 CCOC(=O)CCCCCN1C(CCC1C)C 2230a_100000687148_100000755133 [0,1,0,1,0,0|2,0,0]=4 15524 B17R1.38272 CCOC(=O)CCCCCN1C(CCC1C)C 269982a_100000687148_100000755133 [0,1,0,1,0,0|2,0,0]=4 15525 B17R1.38272 CCOC(=O)CCCCCN1C(CCC1C)C 34a_100000687148_100000755133 [0,1,0,1,0,0|2,0,0]=4 15526 B17R1.126297 CCOC(=O)CCCCCOC1(CCCC1)C 34a_100000751722_100000755133 [0,1,0,1,0,0|2,0,0]=4 15527 B17R1.126297 CCOC(=O)CCCCCOC1(CCCC1)C 7a_100000751722_100000755133 [0,1,0,1,0,0|2,0,0]=4 15528 B17R1.126297 CCOC(=O)CCCCNCC1(CCCC1)O 2230a_100000737848_100000750268 [0,1,0,1,0,0|2,0,0]=4 15529 B17R1.126297 CCOC(=O)CCCCOCC1(CCCC1)N 34a_100000749328_100000750268 [0,1,0,1,0,0|2,0,0]=4 15530 B17R1.126297 CCOC(=O)CCCNCCC1(CCCC1)O 34a_100000719956_100009991533 [0,1,0,1,0,0|2,0,0]=4 15531 B17R1.172500 CCOC(=O)CCCCCCC(=O)C1CC1C 1458a_100000211227_100009814379 [0,1,0,1,0,0|1,0,1]=4 15532 B17R1.1001 CCNC(=O)CCOCCC(C)N1CCCC1 7a_100011935070_100000737597 [0,1,0,1,0,0|2,0,0]=4 15533 B17R1.1001 CCOC(=O)CCCCCC(=O)C1CCCC1 1458a_100000037472_100000179811 [0,1,0,1,0,0|1,0,1]=4 15534 B17R1.1001 CCOC(=O)CCCCCC(=O)C1CCCC1 1458a_100000210718_100000755133 [0,1,0,1,0,0|1,0,1]=4 15535 B17R1.1001 CCOC(=O)CCCCCN(C)C1CCCC1 2230a_100000207505_100000755133 [0,1,0,1,0,0|2,0,0]=4 15536 B17R1.1001 CCOC(=O)CCCCCN(C)C1CCCC1 269982a_100000207505_100000755133 [0,1,0,1,0,0|2,0,0]=4 15537 B17R1.1001 CCOC(=O)CCCCCN(C)C1CCCC1 34a_100000207505_100000755133 [0,1,0,1,0,0|2,0,0]=4 15538 B17R1.1001 CCOC(=O)CCCCNC(C)C1CCCC1 2230a_100015185923_100000750268 [0,1,0,1,0,0|2,0,0]=4 15539 B17R1.1001 CCOC(=O)CCCCNC(C)C1CCCC1 34a_100015185923_100000750268 [0,1,0,1,0,0|2,0,0]=4 15540 B17R1.1001 CCOC(=O)CCCCOC(C)C1CCCC1 34a_100011216366_100000750268 [0,1,0,1,0,0|2,0,0]=4 15541 B17R1.1001 CCOC(=O)CCCCOC(C)C1CCCC1 7a_100011216366_100000750268 [0,1,0,1,0,0|2,0,0]=4 15542 B17R1.1832 CCCCCC(=O)COCC1CCNC(=O)C1 34a_100009886756_200012276598 [0,1,0,1,0,0|1,0,1]=4 15543 B17R1.3233 CCCCCC(=O)N1CCC[C@H]1C(=O)NCC 11a_100020641767_100000212188 [0,1,0,1,0,0|1,0,1]=4 15544 B17R1.3233 CCCCCC(=O)N1CCC[C@H]1C(=O)NCC 1626a_100020641767_100000212188 [0,1,0,1,0,0|1,0,1]=4 15545 B17R1.3233 CCCCCC(=O)N1CCC[C@H]1C(=O)NCC 240690a_100020641767_100000212188 [0,1,0,1,0,0|1,0,1]=4 15546 B17R1.3233 CCCCCC(=O)N1CCC[C@H]1C(=O)NCC 527a_100020641767_100000212188 [0,1,0,1,0,0|1,0,1]=4 15547 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)NCC 2230a_100020641767_200011218191 [0,1,0,1,0,0|1,0,0]=3 15548 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)NCC 269982a_100020641767_200011218191 [0,1,0,1,0,0|1,0,0]=3 15549 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)NCC 270004a_100020641767_100000211708 [0,1,0,1,0,0|1,0,0]=3 15550 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)NCC 34a_100020641767_200011218191 [0,1,0,1,0,0|1,0,0]=3 15551 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)OCC 2230a_100000703725_200011218191 [0,1,0,1,0,0|2,0,0]=4 15552 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)OCC 269982a_100000703725_200011218191 [0,1,0,1,0,0|2,0,0]=4 15553 B17R1.3233 CCCCCC(C)N1CCC[C@H]1C(=O)OCC 270004a_100000703725_100000211708 [0,1,0,1,0,0|2,0,0]=4 15554 B17R1.3233 CCCSCC(C)N1CCC[C@H]1C(=O)NCC 270004a_100020641767_100011343953 [0,1,0,1,0,0|2,0,0]=4 15555 B17R1.3233 CCNC(=O)[C@@H]1CCCN1C(C)CCCSC 270004a_100020641767_100011399439 [0,1,0,1,0,0|2,0,0]=4 15556 B17R1.3233 CCNC(=O)[C@@H]1CCCN1C(C)CCOCC 270004a_100020641767_200011216536 [0,1,0,1,0,0|2,0,0]=4 15557 B17R1.21799 CCOC(=O)CCCCCC(=O)C1CC1CC 1458a_200011661523_100000755133 [0,1,0,1,0,0|1,0,1]=4 15558 B17R1.21801 CCOC(=O)CCCCCC(=O)CC1CCC1 1458a_100000037472_100000763275 [0,1,0,1,0,0|1,0,1]=4 15559 B17R1.21801 CCOC(=O)CCCCCC(=O)CC1CCC1 1458a_100000763092_100000755133 [0,1,0,1,0,0|1,0,1]=4 15560 B17R1.21801 CCOC(=O)CCCCCN(C)CC1CCC1 2230a_200000750244_100000755133 [0,1,0,1,0,0|2,0,0]=4 15561 B17R1.21801 CCOC(=O)CCCCCN(C)CC1CCC1 269982a_200000750244_100000755133 [0,1,0,1,0,0|2,0,0]=4 15562 B17R1.21801 CCOC(=O)CCCCCN(C)CC1CCC1 34a_200000750244_100000755133 [0,1,0,1,0,0|2,0,0]=4 15563 B17R1.21802 CCOC(=O)CCCCCC(=O)CCC1CC1 1458a_100000037472_100000694398 [0,1,0,1,0,0|1,0,1]=4 15564 B17R1.21802 CCOC(=O)CCCCCC(=O)CCC1CC1 1458a_100000756386_100000755133 [0,1,0,1,0,0|1,0,1]=4 15565 B17R1.125842 CCNC(=O)CNCCN1C(CCCC1C)C 2230a_100000749955_100000183381 [0,1,0,1,0,0|2,0,0]=4 15566 B17R1.125842 CCNC(=O)CNCCN1C(CCCC1C)C 34a_100000749955_100000183381 [0,1,0,1,0,0|2,0,0]=4 15567 B17R1.125842 CCNC(=O)COCCN1C(CCCC1C)C 34a_100011305576_100000183381 [0,1,0,1,0,0|2,0,0]=4 15568 B17R1.125842 CCNC(=O)COCCN1C(CCCC1C)C 7a_100011305576_100000183381 [0,1,0,1,0,0|2,0,0]=4 15569 B17R1.125842 CCOC(=O)CCCCN1C(CCCC1C)C 2230a_100000210447_100000750268 [0,1,0,1,0,0|2,0,0]=4 15570 B17R1.125842 CCOC(=O)CCCCN1C(CCCC1C)C 269982a_100000210447_100000750268 [0,1,0,1,0,0|2,0,0]=4 15571 B17R1.125842 CCOC(=O)CCCCN1C(CCCC1C)C 34a_100000210447_100000750268 [0,1,0,1,0,0|2,0,0]=4 15572 B17R1.125842 CCOC(=O)CCCOC1C(CCCC1C)C 34a_100011218088_100009991533 [0,1,0,1,0,0|2,0,0]=4 15573 B17R1.125842 CCOC(=O)CCCOC1C(CCCC1C)C 7a_100011218088_100011215271 [0,1,0,1,0,0|2,0,0]=4 15574 B17R1.126693 CCNC(=O)CCNCCC1(CCCCC1)O 2230a_100102740465_100000737597 [0,1,0,1,0,0|1,0,0]=3 15575 B17R1.126693 CCOC(=O)CCCCNC1(CCCCC1)C 2230a_100000741114_100000750268 [0,1,0,1,0,0|2,0,0]=4 15576 B17R1.126693 CCOC(=O)CCCCNC1(CCCCC1)C 34a_100000741114_100000750268 [0,1,0,1,0,0|2,0,0]=4 15577 B17R1.126693 CCOC(=O)CCCCOC1(CCCCC1)C 34a_100011215885_100000750268 [0,1,0,1,0,0|2,0,0]=4 15578 B17R1.126693 CCOC(=O)CCCCOC1(CCCCC1)C 7a_100011215885_100000750268 [0,1,0,1,0,0|2,0,0]=4 15579 B17R1.126693 CCOC(=O)CCCNCC1(CCCCC1)C 2230a_100000706052_100009991533 [0,1,0,1,0,0|2,0,0]=4 15580 B17R1.126693 CCOC(=O)CCCNCC1(CCCCC1)C 34a_100000706052_100009991533 [0,1,0,1,0,0|2,0,0]=4 15581 B17R1.126693 CCOC(=O)CCCNCC1(CCCCC1)O 2230a_100000748649_100009991533 [0,1,0,1,0,0|2,0,0]=4 15582 B17R1.126693 CCOC(=O)CCCNCC1(CCCCC1)O 34a_100000748649_100009991533 [0,1,0,1,0,0|2,0,0]=4 15583 B17R1.126693 CCOC(=O)CCCOCC1(CCCCC1)C 34a_100000688186_100009991533 [0,1,0,1,0,0|2,0,0]=4 15584 B17R1.126693 CCOC(=O)CCCOCC1(CCCCC1)C 7a_100000688186_100011215271 [0,1,0,1,0,0|2,0,0]=4 15585 B17R1.126693 CCOC(=O)CCCOCC1(CCCCC1)F 34a_100000090305_100009991533 [0,1,0,1,0,0|2,0,0]=4 15586 B17R1.126693 CCOC(=O)CCCOCC1(CCCCC1)F 7a_100000090305_100011215271 [0,1,0,1,0,0|2,0,0]=4 15587 B17R1.126693 CCOC(=O)CCCOCC1(CCCCC1)N 34a_100000740034_100009991533 [0,1,0,1,0,0|2,0,0]=4 15588 B17R1.126693 CCOC(=O)CCNCCC1(CCCCC1)O 2230a_100102740465_100011206558 [0,1,0,1,0,0|2,0,0]=4 15589 B17R1.126693 CCOC(=O)CCNCCC1(CCCCC1)O 34a_100102740465_100000765890 [0,1,0,1,0,0|2,0,0]=4 15590 B17R1.450 CC(C)NC(=O)CCSCC1CCCCN1C 62a_100000737564_100015185383 [0,1,0,1,0,0|2,0,0]=4 15591 B17R1.450 CC(C)NC(=O)CCSCC1CCCCN1C 62a_100015185383_100000737564 [0,1,0,1,0,0|2,0,0]=4 15592 B17R1.450 CC(C)NC(=O)CNCCC1CCCCN1C 2230a_100000168517_100000211948 [0,1,0,1,0,0|2,0,0]=4 15593 B17R1.450 CC(C)NC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000183996 [0,1,0,1,0,0|2,0,0]=4 15594 B17R1.450 CC(C)NC(=O)CNCCN1CCCCC1C 34a_100000739827_100000183996 [0,1,0,1,0,0|2,0,0]=4 15595 B17R1.450 CC(C)NC(=O)COCCN1CCCCC1C 34a_100011305533_100000183996 [0,1,0,1,0,0|2,0,0]=4 15596 B17R1.450 CC(C)NC(=O)CSCCC1CCCCN1C 62a_100000183996_100000211948 [0,1,0,1,0,0|2,0,0]=4 15597 B17R1.450 CC(C)NC(=O)CSCCC1CCCCN1C 62a_100000211948_100000183996 [0,1,0,1,0,0|2,0,0]=4 15598 B17R1.450 CC(C)NC(=O)NCCCN1CCCCC1C 2708a_100138425928_100000212276 [0,1,0,1,0,0|2,0,0]=4 15599 B17R1.450 CC(C)NC(=O)NCCCN1CCCCC1C 273464a_100138425928_100000212276 [0,1,0,1,0,0|2,0,0]=4 15600 B17R1.450 CC(C)NC(=O)NCCCN1CCCCC1C 512a_100138425928_100000212276 [0,1,0,1,0,0|2,0,0]=4 15601 B17R1.746 CC(C)NC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000737564 [0,1,0,1,0,0|2,0,0]=4 15602 B17R1.746 CC(C)NC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000737564 [0,1,0,1,0,0|2,0,0]=4 15603 B17R1.746 CCCC1CCCCC1NCC(=O)NC(C)C 269862a_100000168517_100011218038 [0,1,0,1,0,0|1,0,0]=3 15604 B17R1.746 CCCC1CCCCC1NCC(=O)NC(C)C 270004a_100000168517_100011218038 [0,1,0,1,0,0|1,0,0]=3 15605 B17R1.746 CCCC1CCCCC1OCC(=O)NC(=O)C 7a_100011217265_100000183797 [0,1,0,1,0,0|1,0,1]=4 15606 B17R1.746 CCCC1CCCCC1OCC(=O)NC(C)C 34a_100011217265_100000183996 [0,1,0,1,0,0|1,0,0]=3 15607 B17R1.746 CCCC1CCCCC1OCC(=O)NC(C)C 7a_100011217265_100000183996 [0,1,0,1,0,0|1,0,0]=3 15608 B17R1.746 CCCC1CCCCC1OCC(=O)OC(C)C 34a_100011217265_100011215430 [0,1,0,1,0,0|2,0,0]=4 15609 B17R1.746 CCCC1CCCCC1OCC(=O)OC(C)C 7a_100011217265_100011215430 [0,1,0,1,0,0|2,0,0]=4 15610 B17R1.746 CCCC1CCCCN1CCC(=O)NC(C)C 2230a_100000701414_100000737564 [0,1,0,1,0,0|1,0,0]=3 15611 B17R1.746 CCCC1CCCCN1CCC(=O)NC(C)C 269982a_100000701414_100000737564 [0,1,0,1,0,0|1,0,0]=3 15612 B17R1.746 CCCC1CCCCN1CCC(=O)OC(C)C 2230a_100000701414_100000760027 [0,1,0,1,0,0|2,0,0]=4 15613 B17R1.746 CCCC1CCCCN1CCC(=O)OC(C)C 269982a_100000701414_100000760027 [0,1,0,1,0,0|2,0,0]=4 15614 B17R1.746 CCCC1COCCN1CCC(=O)NC(C)C 2230a_102495339903_100000737564 [0,1,0,1,0,0|2,0,0]=4 15615 B17R1.746 CCCC1COCCN1CCC(=O)NC(C)C 269982a_102495339903_100000737564 [0,1,0,1,0,0|2,0,0]=4 15616 B17R1.746 CCOC1CCCCC1NCC(=O)NC(C)C 270004a_100000168517_200000031474 [0,1,0,1,0,0|2,0,0]=4 15617 B17R1.746 COCC1CCCCN1CCC(=O)NC(C)C 2230a_100015184032_100000737564 [0,1,0,1,0,0|2,0,0]=4 15618 B17R1.746 COCC1CCCCN1CCC(=O)NC(C)C 269982a_100015184032_100000737564 [0,1,0,1,0,0|2,0,0]=4 15619 B17R1.1306 CCCCC1CCCC1NCC(=O)NC(C)C 269862a_100000168517_100000750825 [0,1,0,1,0,0|1,0,0]=3 15620 B17R1.1306 CCCCC1CCCC1NCC(=O)NC(C)C 270004a_100000168517_100000750825 [0,1,0,1,0,0|1,0,0]=3 15621 B17R1.1410 CCN1CCCC1CNCCC(=O)NC(C)C 2230a_100000211693_100000737564 [0,1,0,1,0,0|2,0,0]=4 15622 B17R1.1410 CCN1CCC[C@@H]1COCCC(=O)NC(C)C 7a_100011739246_100000737564 [0,1,0,1,0,0|2,0,0]=4 15623 B17R1.4171 CCC1CCCCC1OCCC(=O)NC(C)C 7a_100000210738_100000737564 [0,1,0,1,0,0|1,0,0]=3 15624 B17R1.4171 CCC1CCCCC1OCCC(=O)OC(C)C 7a_100000210738_100000760027 [0,1,0,1,0,0|2,0,0]=4 15625 B17R1.4171 CCC1CCCCN1CCNC(=O)NC(C)C 2708a_100000755458_100138425928 [0,1,0,1,0,0|2,0,0]=4 15626 B17R1.4171 CCC1CCCCN1CCNC(=O)NC(C)C 2708a_100138425928_100000755458 [0,1,0,1,0,0|2,0,0]=4 15627 B17R1.4171 CCC1CCCCN1CCNC(=O)NC(C)C 273464a_100138425928_100000755458 [0,1,0,1,0,0|2,0,0]=4 15628 B17R1.4171 CCC1CCCCN1CCNC(=O)NC(C)C 512a_100000755458_100138425928 [0,1,0,1,0,0|2,0,0]=4 15629 B17R1.4171 CCC1CCCCN1CCNC(=O)NC(C)C 512a_100138425928_100000755458 [0,1,0,1,0,0|2,0,0]=4 15630 B17R1.4171 CCN1CCCCC1CNCC(=O)NC(C)C 2230a_100000754393_100000183996 [0,1,0,1,0,0|2,0,0]=4 15631 B17R1.4171 CCN1CCCCC1CNCC(=O)NC(C)C 34a_100000754393_100000183996 [0,1,0,1,0,0|2,0,0]=4 15632 B17R1.4171 CCN1CCCCC1COCC(=O)NC(C)C 34a_100000225091_100000183996 [0,1,0,1,0,0|2,0,0]=4 15633 B17R1.4171 CCN1CCCCC1COCC(=O)NC(C)C 7a_100000225091_100000183996 [0,1,0,1,0,0|2,0,0]=4 15634 B17R1.4171 CO[C@H]1CCCC[C@@H]1OCCC(=O)NC(C)C 7a_200009815850_100000737564 [0,1,0,1,0,0|2,0,0]=4 15635 B17R1.7910 CCCN1CCCC1COCC(=O)NC(C)C 34a_200000694710_100000183996 [0,1,0,1,0,0|2,0,0]=4 15636 B17R1.7910 CCCN1CCCC1COCC(=O)NC(C)C 7a_200000694710_100000183996 [0,1,0,1,0,0|2,0,0]=4 15637 B17R1.8307 CC(=O)NC(=O)COCCCC1CCCCC1 7a_100000198086_100000183797 [0,1,0,1,0,0|1,0,1]=4 15638 B17R1.8307 CC(=O)NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183797 [0,1,0,1,0,0|1,0,1]=4 15639 B17R1.8307 CC(C)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210624 [0,1,0,1,0,0|2,0,0]=4 15640 B17R1.8307 CC(C)NC(=O)CCCCCN1CCCCC1 11a_100138425928_100012051570 [0,1,0,1,0,0|1,0,0]=3 15641 B17R1.8307 CC(C)NC(=O)CCCCCN1CCCCC1 240690a_100138425928_100012051570 [0,1,0,1,0,0|1,0,0]=3 15642 B17R1.8307 CC(C)NC(=O)CCCCCN1CCOCC1 11a_100138425928_100012051560 [0,1,0,1,0,0|2,0,0]=4 15643 B17R1.8307 CC(C)NC(=O)CCCCCN1CCOCC1 240690a_100138425928_100012051560 [0,1,0,1,0,0|2,0,0]=4 15644 B17R1.8307 CC(C)NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000737564 [0,1,0,1,0,0|1,0,0]=3 15645 B17R1.8307 CC(C)NC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000737564 [0,1,0,1,0,0|2,0,0]=4 15646 B17R1.8307 CC(C)NC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000737564 [0,1,0,1,0,0|2,0,0]=4 15647 B17R1.8307 CC(C)NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000737564 [0,1,0,1,0,0|1,0,0]=3 15648 B17R1.8307 CC(C)NC(=O)CCOCCC1CCOCC1 7a_100011933979_100000737564 [0,1,0,1,0,0|2,0,0]=4 15649 B17R1.8307 CC(C)NC(=O)CCSCCC1CCCCC1 62a_100000737564_100012355289 [0,1,0,1,0,0|1,0,0]=3 15650 B17R1.8307 CC(C)NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000737564 [0,1,0,1,0,0|1,0,0]=3 15651 B17R1.8307 CC(C)NC(=O)CCSCCC1CCOCC1 62a_100000737564_100011934994 [0,1,0,1,0,0|2,0,0]=4 15652 B17R1.8307 CC(C)NC(=O)CCSCCC1CCOCC1 62a_100011934994_100000737564 [0,1,0,1,0,0|2,0,0]=4 15653 B17R1.8307 CC(C)NC(=O)CCSCCN1CCCCC1 62a_100000737564_100000739454 [0,1,0,1,0,0|2,0,0]=4 15654 B17R1.8307 CC(C)NC(=O)CCSCCN1CCCCC1 62a_100000739454_100000737564 [0,1,0,1,0,0|2,0,0]=4 15655 B17R1.8307 CC(C)NC(=O)CCSCOC1CCCCC1 62a_100000737564_100011935260 [0,1,0,1,0,0|2,0,0]=4 15656 B17R1.8307 CC(C)NC(=O)CCSCOC1CCCCC1 62a_100011935260_100000737564 [0,1,0,1,0,0|2,0,0]=4 15657 B17R1.8307 CC(C)NC(=O)CNCCCC1CCCCC1 2230a_100000168517_100011713725 [0,1,0,1,0,0|1,0,0]=3 15658 B17R1.8307 CC(C)NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183996 [0,1,0,1,0,0|1,0,0]=3 15659 B17R1.8307 CC(C)NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183996 [0,1,0,1,0,0|1,0,0]=3 15660 B17R1.8307 CC(C)NC(=O)CNCCCN1CCCCC1 2230a_100000168517_100000690320 [0,1,0,1,0,0|2,0,0]=4 15661 B17R1.8307 CC(C)NC(=O)CNCCOC1CCCCC1 2230a_100000168517_100011211530 [0,1,0,1,0,0|2,0,0]=4 15662 B17R1.8307 CC(C)NC(=O)CNCCOC1CCCCC1 34a_100015206981_100000183996 [0,1,0,1,0,0|2,0,0]=4 15663 B17R1.8307 CC(C)NC(=O)COCCCC1CCCCC1 34a_100000198086_100000183996 [0,1,0,1,0,0|1,0,0]=3 15664 B17R1.8307 CC(C)NC(=O)COCCCC1CCCCC1 7a_100000198086_100000183996 [0,1,0,1,0,0|1,0,0]=3 15665 B17R1.8307 CC(C)NC(=O)COCCCC1CCCCN1 34a_100011934581_100000183996 [0,1,0,1,0,0|2,0,0]=4 15666 B17R1.8307 CC(C)NC(=O)COCCCC1CCCNC1 34a_100150707839_100000183996 [0,1,0,1,0,0|2,0,0]=4 15667 B17R1.8307 CC(C)NC(=O)COCCCC1CCNCC1 34a_100016988962_100000183996 [0,1,0,1,0,0|2,0,0]=4 15668 B17R1.8307 CC(C)NC(=O)COCCCN1CCCCC1 34a_100000212458_100000183996 [0,1,0,1,0,0|2,0,0]=4 15669 B17R1.8307 CC(C)NC(=O)COCCNC1CCCCC1 34a_100000200466_100000183996 [0,1,0,1,0,0|2,0,0]=4 15670 B17R1.8307 CC(C)NC(=O)COCCOC1CCCCC1 34a_100011249652_100000183996 [0,1,0,1,0,0|2,0,0]=4 15671 B17R1.8307 CC(C)NC(=O)COCCOC1CCCCC1 7a_100011249652_100000183996 [0,1,0,1,0,0|2,0,0]=4 15672 B17R1.8307 CC(C)NC(=O)CSCCCC1CCCCC1 62a_100000183996_100011713725 [0,1,0,1,0,0|1,0,0]=3 15673 B17R1.8307 CC(C)NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183996 [0,1,0,1,0,0|1,0,0]=3 15674 B17R1.8307 CC(C)NC(=O)CSCCCN1CCCCC1 62a_100000183996_100000007876 [0,1,0,1,0,0|2,0,0]=4 15675 B17R1.8307 CC(C)NC(=O)CSCCCN1CCCCC1 62a_100132302099_100000183996 [0,1,0,1,0,0|2,0,0]=4 15676 B17R1.8307 CC(C)NC(=O)CSCCOC1CCCCC1 62a_100000183996_100011211530 [0,1,0,1,0,0|2,0,0]=4 15677 B17R1.8307 CC(C)NC(=O)CSCCOC1CCCCC1 62a_100011211530_100000183996 [0,1,0,1,0,0|2,0,0]=4 15678 B17R1.8307 CC(C)NC(=O)NCCCCN1CCCCC1 2708a_100138425928_200011207366 [0,1,0,1,0,0|2,0,0]=4 15679 B17R1.8307 CC(C)NC(=O)NCCCCN1CCCCC1 2708a_200011207366_100138425928 [0,1,0,1,0,0|2,0,0]=4 15680 B17R1.8307 CC(C)NC(=O)NCCCCN1CCCCC1 273464a_100138425928_200011207366 [0,1,0,1,0,0|2,0,0]=4 15681 B17R1.8307 CC(C)NC(=O)NCCCCN1CCCCC1 512a_100138425928_200011207366 [0,1,0,1,0,0|2,0,0]=4 15682 B17R1.8307 CC(C)NC(=O)NCCCOC1CCCCC1 2708a_100000205933_100138425928 [0,1,0,1,0,0|2,0,0]=4 15683 B17R1.8307 CC(C)NC(=O)NCCCOC1CCCCC1 2708a_100138425928_100000205933 [0,1,0,1,0,0|2,0,0]=4 15684 B17R1.8307 CC(C)NC(=O)NCCCOC1CCCCC1 273464a_100138425928_100000205933 [0,1,0,1,0,0|2,0,0]=4 15685 B17R1.8307 CC(C)NC(=O)NCCCOC1CCCCC1 512a_100000205933_100138425928 [0,1,0,1,0,0|2,0,0]=4 15686 B17R1.8307 CC(C)NC(=O)NCCCOC1CCCCC1 512a_100138425928_100000205933 [0,1,0,1,0,0|2,0,0]=4 15687 B17R1.8307 CC(C)OC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000760027 [0,1,0,1,0,0|2,0,0]=4 15688 B17R1.8307 CC(C)OC(=O)CCOCCC1CCCCC1 7a_100011217863_100000760027 [0,1,0,1,0,0|2,0,0]=4 15689 B17R1.8307 CC(C)OC(=O)CCSCCC1CCCCC1 62a_100000760027_100012355289 [0,1,0,1,0,0|2,0,0]=4 15690 B17R1.8307 CC(C)OC(=O)CCSCCC1CCCCC1 62a_100012355289_100000760027 [0,1,0,1,0,0|2,0,0]=4 15691 B17R1.8307 CC(C)OC(=O)CNCCCC1CCCCC1 2230a_100011211642_100011215430 [0,1,0,1,0,0|2,0,0]=4 15692 B17R1.8307 CC(C)OC(=O)CNCCCC1CCCCC1 34a_100011211642_100011215430 [0,1,0,1,0,0|2,0,0]=4 15693 B17R1.8307 CC(C)OC(=O)COCCCC1CCCCC1 34a_100000198086_100011215430 [0,1,0,1,0,0|2,0,0]=4 15694 B17R1.8307 CC(C)OC(=O)COCCCC1CCCCC1 7a_100000198086_100011215430 [0,1,0,1,0,0|2,0,0]=4 15695 B17R1.8307 CC(C)OC(=O)CSCCCC1CCCCC1 62a_100011215430_100011713725 [0,1,0,1,0,0|2,0,0]=4 15696 B17R1.8307 CC(C)OC(=O)CSCCCC1CCCCC1 62a_100011713725_100011215430 [0,1,0,1,0,0|2,0,0]=4 15697 B17R1.8307 CC(O)CC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011218427 [0,1,0,1,0,0|2,0,0]=4 15698 B17R1.8312 CC(C)NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000737564 [0,1,0,1,0,0|1,0,0]=3 15699 B17R1.8312 CC(C)NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000737564 [0,1,0,1,0,0|1,0,0]=3 15700 B17R1.8312 CC(C)NC(=O)CCOCCOC1CCCC1 7a_100000738311_100000737564 [0,1,0,1,0,0|2,0,0]=4 15701 B17R1.8312 CC(C)NC(=O)CCSCCCC1CCCC1 62a_100000737564_100011713738 [0,1,0,1,0,0|1,0,0]=3 15702 B17R1.8312 CC(C)NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000737564 [0,1,0,1,0,0|1,0,0]=3 15703 B17R1.8312 CC(C)NC(=O)CCSCCCN1CCCC1 62a_100000737564_100011445909 [0,1,0,1,0,0|2,0,0]=4 15704 B17R1.8312 CC(C)NC(=O)CCSCCCN1CCCC1 62a_100016991639_100000737564 [0,1,0,1,0,0|2,0,0]=4 15705 B17R1.8312 CC(C)NC(=O)CNCCCOC1CCCC1 34a_100000747560_100000183996 [0,1,0,1,0,0|2,0,0]=4 15706 B17R1.8312 CC(C)NC(=O)NCCCCCN1CCCC1 2708a_100011491779_100138425928 [0,1,0,1,0,0|2,0,0]=4 15707 B17R1.8312 CC(C)NC(=O)NCCCCCN1CCCC1 2708a_100138425928_100011491779 [0,1,0,1,0,0|2,0,0]=4 15708 B17R1.8312 CC(C)NC(=O)NCCCCCN1CCCC1 273464a_100138425928_100011491779 [0,1,0,1,0,0|2,0,0]=4 15709 B17R1.8312 CC(C)NC(=O)NCCCCCN1CCCC1 512a_100138425928_100011491779 [0,1,0,1,0,0|2,0,0]=4 15710 B17R1.8312 CC(C)OC(=O)CCCCCNC1CCCC1 2230a_100000211070_200010986244 [0,1,0,1,0,0|2,0,0]=4 15711 B17R1.8312 CC(C)OC(=O)CCCCCNC1CCCC1 34a_100000211070_200010986244 [0,1,0,1,0,0|2,0,0]=4 15712 B17R1.8312 CC(C)OC(=O)CCCCCOC1CCCC1 34a_100000210269_200010986244 [0,1,0,1,0,0|2,0,0]=4 15713 B17R1.8312 CC(C)OC(=O)CCCCCOC1CCCC1 7a_100000210269_200010986244 [0,1,0,1,0,0|2,0,0]=4 15714 B17R1.8312 CC(C)OC(=O)CCCCCSC1CCCC1 62a_100011217020_200010986244 [0,1,0,1,0,0|2,0,0]=4 15715 B17R1.8312 CC(C)OC(=O)CCCCCSC1CCCC1 62a_200010986244_100000179811 [0,1,0,1,0,0|2,0,0]=4 15716 B17R1.8312 CC(C)OC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000760027 [0,1,0,1,0,0|2,0,0]=4 15717 B17R1.8312 CC(C)OC(=O)CCOCCCC1CCCC1 7a_100011215328_100000760027 [0,1,0,1,0,0|2,0,0]=4 15718 B17R1.8312 CC(C)OC(=O)CCSCCCC1CCCC1 62a_100000760027_100011713738 [0,1,0,1,0,0|2,0,0]=4 15719 B17R1.8312 CC(C)OC(=O)CCSCCCC1CCCC1 62a_100011713738_100000760027 [0,1,0,1,0,0|2,0,0]=4 15720 B17R1.8930 CC(C)NC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000183996 [0,1,0,1,0,0|2,0,0]=4 15721 B17R1.8930 CC(C)NC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000183996 [0,1,0,1,0,0|2,0,0]=4 15722 B17R1.8930 CC(C)NC(=O)CN1CCCCC1CCCO 34a_100011934581_100000183996 [0,1,0,1,0,0|2,0,0]=4 15723 B17R1.8930 COCCC1CCCCN1CC(=O)NC(C)C 2230a_100015186528_100000183996 [0,1,0,1,0,0|2,0,0]=4 15724 B17R1.8930 COCCC1CCCCN1CC(=O)NC(C)C 269982a_100015186528_100000183996 [0,1,0,1,0,0|2,0,0]=4 15725 B17R1.8930 COCCC1CCCCN1CC(=O)NC(C)C 34a_100015186528_100000183996 [0,1,0,1,0,0|2,0,0]=4 15726 B17R1.11117 CC(C)OC(=O)CCCCCOCC1CC1C 34a_100000744939_200010986244 [0,1,0,1,0,0|2,0,0]=4 15727 B17R1.11117 CC(C)OC(=O)CCCCCOCC1CC1C 7a_100000744939_200010986244 [0,1,0,1,0,0|2,0,0]=4 15728 B17R1.11233 CC(C)NC(=O)CCOCCC1CCCN1C 7a_100011215177_100000737564 [0,1,0,1,0,0|2,0,0]=4 15729 B17R1.11233 CC(C)NC(=O)CCSCCC1CCCN1C 62a_100000005710_100000737564 [0,1,0,1,0,0|2,0,0]=4 15730 B17R1.11233 CC(C)NC(=O)CCSCCC1CCCN1C 62a_100000737564_100000005710 [0,1,0,1,0,0|2,0,0]=4 15731 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@@H]1C 2230a_100020605311_200010986244 [0,1,0,1,0,0|2,0,0]=4 15732 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@@H]1C 269982a_100020605311_200010986244 [0,1,0,1,0,0|2,0,0]=4 15733 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@H]1C 2230a_100015189458_200010986244 [0,1,0,1,0,0|2,0,0]=4 15734 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@H]1C 269982a_100015189458_200010986244 [0,1,0,1,0,0|2,0,0]=4 15735 B17R1.11233 CC(C)OC(=O)CCCCCN1CCC[C@H]1C 34a_100015189458_200010986244 [0,1,0,1,0,0|2,0,0]=4 15736 B17R1.16939 COCCCC1CCCCN1C(=O)NC(C)C 2708a_100138425928_100011804088 [0,1,0,1,0,0|2,0,0]=4 15737 B17R1.16939 COCCCC1CCCCN1C(=O)NC(C)C 273464a_100138425928_100011804088 [0,1,0,1,0,0|2,0,0]=4 15738 B17R1.25094 CC(C)NC(=O)[C@H]1CCCN1CCCCCF 2230a_100153395200_100000729378 [0,1,0,1,0,0|2,0,0]=4 15739 B17R1.25094 CC(C)NC(=O)[C@H]1CCCN1CCCCCF 269982a_100153395200_100000729378 [0,1,0,1,0,0|2,0,0]=4 15740 B17R1.25094 CC(C)NC(=O)[C@H]1CCCN1CCCCCF 34a_100153395200_100000729378 [0,1,0,1,0,0|2,0,0]=4 15741 B17R1.25094 CC(C)NC(=O)[C@H]1CCCN1CCCCCO 2230a_100153395200_100000746330 [0,1,0,1,0,0|2,0,0]=4 15742 B17R1.25094 CC(C)NC(=O)[C@H]1CCCN1CCCCCO 269982a_100153395200_100000746330 [0,1,0,1,0,0|2,0,0]=4 15743 B17R1.25094 CC(C)NC(=O)[C@H]1CCCN1CCCCCO 34a_100153395200_100000746330 [0,1,0,1,0,0|2,0,0]=4 15744 B17R1.25094 CCCCCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100000210314 [0,1,0,1,0,0|1,0,0]=3 15745 B17R1.25094 CCCCCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100000210757 [0,1,0,1,0,0|1,0,0]=3 15746 B17R1.25094 CCCCCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100000210314 [0,1,0,1,0,0|1,0,0]=3 15747 B17R1.25094 CCCCOCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100011995733 [0,1,0,1,0,0|2,0,0]=4 15748 B17R1.25094 CCCCOCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100011995733 [0,1,0,1,0,0|2,0,0]=4 15749 B17R1.25094 CCCCOCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100011995733 [0,1,0,1,0,0|2,0,0]=4 15750 B17R1.25094 CCCOCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100011215938 [0,1,0,1,0,0|2,0,0]=4 15751 B17R1.25094 CCCOCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100011215938 [0,1,0,1,0,0|2,0,0]=4 15752 B17R1.25094 CCCOCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100011215938 [0,1,0,1,0,0|2,0,0]=4 15753 B17R1.25094 CCOCCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100012232248 [0,1,0,1,0,0|2,0,0]=4 15754 B17R1.25094 CCOCCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100012232248 [0,1,0,1,0,0|2,0,0]=4 15755 B17R1.25094 CCOCCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100012232248 [0,1,0,1,0,0|2,0,0]=4 15756 B17R1.25094 COCCCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100000730899 [0,1,0,1,0,0|2,0,0]=4 15757 B17R1.25094 COCCCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100000730899 [0,1,0,1,0,0|2,0,0]=4 15758 B17R1.25094 COCCCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100000755781 [0,1,0,1,0,0|2,0,0]=4 15759 B17R1.26414 CC(C)OC(=O)CCCCCNCC1CCC1 2230a_100000738700_200010986244 [0,1,0,1,0,0|2,0,0]=4 15760 B17R1.26414 CC(C)OC(=O)CCCCCNCC1CCC1 34a_100000738700_200010986244 [0,1,0,1,0,0|2,0,0]=4 15761 B17R1.26414 CC(C)OC(=O)CCCCCOCC1CCC1 34a_100000760304_200010986244 [0,1,0,1,0,0|2,0,0]=4 15762 B17R1.26414 CC(C)OC(=O)CCCCCSCC1CCC1 62a_100000763275_200010986244 [0,1,0,1,0,0|2,0,0]=4 15763 B17R1.26414 CC(C)OC(=O)CCCCCSCC1CCC1 62a_200010986244_100000763275 [0,1,0,1,0,0|2,0,0]=4 15764 B17R1.29775 CCCCCCCCCC=CC(=O)NC1CC1 1626a_100000212008_200015352897 [0,1,0,1,0,0|0,0,2]=4 15765 B17R1.29775 CCCCCCCCCC=CC(=O)NC1CC1 240690a_100000212008_200015352897 [0,1,0,1,0,0|0,0,2]=4 15766 B17R1.29775 CCCCCCCCCCCC(=O)CC1CC1 1458a_100000210736_100000742324 [0,1,0,1,0,0|1,0,0]=3 15767 B17R1.29775 CCCCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100011215454 [0,1,0,1,0,0|1,0,0]=3 15768 B17R1.29775 CCCCCCCCCCCC(=O)CC1CO1 1458a_100000210736_100011216344 [0,1,0,1,0,0|1,0,0]=3 15769 B17R1.29775 CCCCCCCCCCCC(=O)CC1CS1 1458a_100000210736_100000031435 [0,1,0,1,0,0|1,0,0]=3 15770 B17R1.29775 CCCCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000210736_100000745022 [0,1,0,1,0,0|1,0,0]=3 15771 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000210736 [0,1,0,1,0,0|0,0,0]=2 15772 B17R1.29775 CCCCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000210736 [0,1,0,1,0,0|0,0,0]=2 15773 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 11a_100000684558_100000738066 [0,1,0,1,0,0|2,0,0]=4 15774 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 1626a_100000684558_100000738066 [0,1,0,1,0,0|2,0,0]=4 15775 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 240690a_100000684558_100000738066 [0,1,0,1,0,0|2,0,0]=4 15776 B17R1.29775 CCCCCCCCCCNC(=O)CC1CC1 527a_100000684558_100000738066 [0,1,0,1,0,0|2,0,0]=4 15777 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000684558 [0,1,0,1,0,0|1,0,0]=3 15778 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 2708a_100000684558_100000212008 [0,1,0,1,0,0|1,0,0]=3 15779 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000684558 [0,1,0,1,0,0|1,0,0]=3 15780 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 273464a_100000684558_100000212008 [0,1,0,1,0,0|1,0,0]=3 15781 B17R1.29775 CCCCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000684558 [0,1,0,1,0,0|1,0,0]=3 15782 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 2230a_100000212291_100000182950 [0,1,0,1,0,0|1,0,0]=3 15783 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100011214924 [0,1,0,1,0,0|1,0,0]=3 15784 B17R1.29775 CCCCCCCCCNCC(=O)NC1CC1 34a_100000212291_100000182950 [0,1,0,1,0,0|1,0,0]=3 15785 B17R1.29775 CCCCCCCCCOCC(=O)NC1CC1 34a_100000210712_100000182950 [0,1,0,1,0,0|1,0,0]=3 15786 B17R1.29775 CCCCCCCCCOCC(=O)NC1CC1 7a_100000210712_100000182950 [0,1,0,1,0,0|1,0,0]=3 15787 B17R1.29775 CCCCCCCCCSCC(=O)NC1CC1 62a_100000182950_100000210670 [0,1,0,1,0,0|1,0,0]=3 15788 B17R1.29775 CCCCCCCCNCCC(=O)NC1CC1 2230a_100000229939_100000737409 [0,1,0,1,0,0|1,0,0]=3 15789 B17R1.29775 CCCCCCCCNCCC(=O)NC1CC1 34a_100000229939_100000737409 [0,1,0,1,0,0|1,0,0]=3 15790 B17R1.29775 CCCCCCCCOCCC(=O)NC1CC1 34a_100000210232_100000737409 [0,1,0,1,0,0|1,0,0]=3 15791 B17R1.29775 CCCCCCCCSCCC(=O)NC1CC1 62a_100000210759_100000737409 [0,1,0,1,0,0|1,0,0]=3 15792 B17R1.29775 CCCCCCCCSCCC(=O)NC1CC1 62a_100000737409_100000210317 [0,1,0,1,0,0|1,0,0]=3 15793 B17R1.29775 CCCCCCOCCOCC(=O)NC1CC1 34a_100000691444_100000182950 [0,1,0,1,0,0|2,0,0]=4 15794 B17R1.29775 CCCCCCOCCOCC(=O)NC1CC1 7a_100000691444_100000182950 [0,1,0,1,0,0|2,0,0]=4 15795 B17R1.29775 CCCCCNCCOCCC(=O)NC1CC1 34a_100000224656_100000737409 [0,1,0,1,0,0|2,0,0]=4 15796 B17R1.29775 CCCCCOCCOCCC(=O)NC1CC1 34a_100011215259_100000737409 [0,1,0,1,0,0|2,0,0]=4 15797 B17R1.29775 CCCCNCCCCOCC(=O)NC1CC1 34a_200011216965_100000182950 [0,1,0,1,0,0|2,0,0]=4 15798 B17R1.29775 CCCCOCCCCOCC(=O)NC1CC1 34a_200000760531_100000182950 [0,1,0,1,0,0|2,0,0]=4 15799 B17R1.29775 CCCCOCCCCOCC(=O)NC1CC1 7a_200000760531_100000182950 [0,1,0,1,0,0|2,0,0]=4 15800 B17R1.29775 CCCCOCCCNCCC(=O)NC1CC1 2230a_200000211371_100000737409 [0,1,0,1,0,0|2,0,0]=4 15801 B17R1.29775 CCCCOCCCNCCC(=O)NC1CC1 34a_200000211371_100000737409 [0,1,0,1,0,0|2,0,0]=4 15802 B17R1.29775 CCCCOCCCOCCC(=O)NC1CC1 34a_200011215613_100000737409 [0,1,0,1,0,0|2,0,0]=4 15803 B17R1.29775 COCCCCCCOCCC(=O)NC1CC1 34a_200012092642_100000737409 [0,1,0,1,0,0|2,0,0]=4 15804 B17R1.29775 COCCCCCCSCCC(=O)NC1CC1 62a_100000737409_100011998445 [0,1,0,1,0,0|2,0,0]=4 15805 B17R1.29775 COCCCCCCSCCC(=O)NC1CC1 62a_100011998445_100000737409 [0,1,0,1,0,0|2,0,0]=4 15806 B17R1.29775 NCCCCCCCCOCC(=O)NC1CC1 34a_102515433106_100000182950 [0,1,0,1,0,0|2,0,0]=4 15807 B17R1.29775 NCCCCCCCOCCC(=O)NC1CC1 34a_100011996573_100000737409 [0,1,0,1,0,0|2,0,0]=4 15808 B17R1.29775 O=C(CCCCCCCCCCO)CC1CC1 1458a_100000738066_100009813290 [0,1,0,1,0,0|2,0,0]=4 15809 B17R1.29775 O=C(CCCCCCCCCCO)NC1CC1 240690a_100000212008_200000016029 [0,1,0,1,0,0|1,0,0]=3 15810 B17R1.29775 O=C(CCNCCCCCCCO)NC1CC1 2230a_100011996573_100000737409 [0,1,0,1,0,0|2,0,0]=4 15811 B17R1.29775 O=C(CCNCCCCCCCO)NC1CC1 34a_100011996573_100000737409 [0,1,0,1,0,0|2,0,0]=4 15812 B17R1.29775 O=C(CCOCCCCCCCBr)NC1CC1 34a_100000760002_100000737409 [0,1,0,1,0,0|2,0,0]=4 15813 B17R1.29775 O=C(CCSCCCCCCCO)NC1CC1 62a_100000737409_100000760002 [0,1,0,1,0,0|2,0,0]=4 15814 B17R1.29775 O=C(CCSCCCCCCCO)NC1CC1 62a_100000760002_100000737409 [0,1,0,1,0,0|2,0,0]=4 15815 B17R1.29775 O=C(CNCCCCCCCCO)NC1CC1 2230a_100000702991_100000033203 [0,1,0,1,0,0|2,0,0]=4 15816 B17R1.29775 O=C(CNCCCCCCCCO)NC1CC1 2230a_102515433106_100000182950 [0,1,0,1,0,0|2,0,0]=4 15817 B17R1.29775 O=C(CNCCCCCCCCO)NC1CC1 34a_102515433106_100000182950 [0,1,0,1,0,0|2,0,0]=4 15818 B17R1.29775 O=C(COCCCCCCCCBr)NC1CC1 34a_100009813846_100000182950 [0,1,0,1,0,0|2,0,0]=4 15819 B17R1.29775 O=C(COCCCCCCCCBr)NC1CC1 7a_100009813846_100000182950 [0,1,0,1,0,0|2,0,0]=4 15820 B17R1.29775 O=C(COCCCCCCCCCl)NC1CC1 34a_100000033203_100000182950 [0,1,0,1,0,0|2,0,0]=4 15821 B17R1.29775 O=C(COCCCCCCCCCl)NC1CC1 7a_100000033203_100000182950 [0,1,0,1,0,0|2,0,0]=4 15822 B17R1.29775 O=C(CSCCCCCCCCO)NC1CC1 62a_100000033203_100000182950 [0,1,0,1,0,0|2,0,0]=4 15823 B17R1.29775 O=C(CSCCCCCCCCO)NC1CC1 62a_100000182950_100000033203 [0,1,0,1,0,0|2,0,0]=4 15824 B17R1.29775 O=C(NCCCCCCCCCO)NC1CC1 2708a_100000078944_100000212008 [0,1,0,1,0,0|2,0,0]=4 15825 B17R1.29775 O=C(NCCCCCCCCCO)NC1CC1 2708a_100000212008_100000078944 [0,1,0,1,0,0|2,0,0]=4 15826 B17R1.29775 O=C(NCCCCCCCCCO)NC1CC1 273464a_100000078944_100000212008 [0,1,0,1,0,0|2,0,0]=4 15827 B17R1.29775 O=C(NCCCCCCCCCO)NC1CC1 273464a_100000212008_100000078944 [0,1,0,1,0,0|2,0,0]=4 15828 B17R1.29775 O=C(NCCCCCCCCCO)NC1CC1 512a_100000212008_100000078944 [0,1,0,1,0,0|2,0,0]=4 15829 B17R1.61968 CC(C)NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000737564 [0,1,0,1,0,0|1,0,0]=3 15830 B17R1.61968 CC(C)NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000737564 [0,1,0,1,0,0|1,0,0]=3 15831 B17R1.61968 CC(C)NC(=O)CNC1CCCCCCCC1 270004a_100000168517_100000038600 [0,1,0,1,0,0|1,0,0]=3 15832 B17R1.61968 CC(C)OC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000760027 [0,1,0,1,0,0|2,0,0]=4 15833 B17R1.61968 CC(C)OC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000760027 [0,1,0,1,0,0|2,0,0]=4 15834 B17R1.62012 CC(C)OC(=O)CCCCCNCCC1CC1 34a_100000764129_200010986244 [0,1,0,1,0,0|2,0,0]=4 15835 B17R1.62012 CC(C)OC(=O)CCCCCOCCC1CC1 34a_100000754188_200010986244 [0,1,0,1,0,0|2,0,0]=4 15836 B17R1.62012 CC(C)OC(=O)CCCCCOCCC1CC1 7a_100000754188_200010986244 [0,1,0,1,0,0|2,0,0]=4 15837 B17R1.62012 CC(C)OC(=O)CCCCCSCCC1CC1 62a_100000764125_200010986244 [0,1,0,1,0,0|2,0,0]=4 15838 B17R1.62012 CC(C)OC(=O)CCCCCSCCC1CC1 62a_200010986244_100000764125 [0,1,0,1,0,0|2,0,0]=4 15839 B17R1.103871 CC(=O)NC(=O)COCC1CCCCCCC1 7a_100011216312_100000183797 [0,1,0,1,0,0|1,0,1]=4 15840 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210554 [0,1,0,1,0,0|2,0,0]=4 15841 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210554 [0,1,0,1,0,0|2,0,0]=4 15842 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210554 [0,1,0,1,0,0|2,0,0]=4 15843 B17R1.103871 CC(C)CC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210554 [0,1,0,1,0,0|2,0,0]=4 15844 B17R1.103871 CC(C)NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000737564 [0,1,0,1,0,0|1,0,0]=3 15845 B17R1.103871 CC(C)NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000737564 [0,1,0,1,0,0|1,0,0]=3 15846 B17R1.103871 CC(C)NC(=O)COCC1CCCCCCC1 34a_100011216312_100000183996 [0,1,0,1,0,0|1,0,0]=3 15847 B17R1.103871 CC(C)NC(=O)COCC1CCCCCCC1 7a_100011216312_100000183996 [0,1,0,1,0,0|1,0,0]=3 15848 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 2708a_100011532352_100138425928 [0,1,0,1,0,0|1,0,0]=3 15849 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 2708a_100138425928_100011532352 [0,1,0,1,0,0|1,0,0]=3 15850 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 273464a_100138425928_100011532352 [0,1,0,1,0,0|1,0,0]=3 15851 B17R1.103871 CC(C)NC(=O)NCCC1CCCCCCC1 512a_100138425928_100011532352 [0,1,0,1,0,0|1,0,0]=3 15852 B17R1.103871 CC(C)OC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000760027 [0,1,0,1,0,0|2,0,0]=4 15853 B17R1.103871 CC(C)OC(=O)CCOC1CCCCCCC1 7a_100000210054_100000760027 [0,1,0,1,0,0|2,0,0]=4 15854 B17R1.103871 CC(C)OC(=O)COCC1CCCCCCC1 34a_100011216312_100011215430 [0,1,0,1,0,0|2,0,0]=4 15855 B17R1.103871 CC(C)OC(=O)COCC1CCCCCCC1 7a_100011216312_100011215430 [0,1,0,1,0,0|2,0,0]=4 15856 B17R1.103871 C[C@@H](O)CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011933948 [0,1,0,1,0,0|2,0,0]=4 15857 B17R1.151293 CC(C)NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000737564 [0,1,0,1,0,0|1,0,0]=3 15858 B17R1.151293 CC(C)NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000737564 [0,1,0,1,0,0|1,0,0]=3 15859 B17R1.151293 CC(C)NC(=O)CCSCC1CCCCCC1 62a_100000737564_200000696569 [0,1,0,1,0,0|1,0,0]=3 15860 B17R1.151293 CC(C)NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000737564 [0,1,0,1,0,0|1,0,0]=3 15861 B17R1.151293 CC(C)NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183996 [0,1,0,1,0,0|1,0,0]=3 15862 B17R1.151293 CC(C)NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183996 [0,1,0,1,0,0|1,0,0]=3 15863 B17R1.151293 CC(C)NC(=O)COCCN1CCCCCC1 34a_100000238007_100000183996 [0,1,0,1,0,0|2,0,0]=4 15864 B17R1.151293 CC(C)NC(=O)CSCCN1CCCCCC1 62a_100000183996_100000722644 [0,1,0,1,0,0|2,0,0]=4 15865 B17R1.151293 CC(C)NC(=O)CSCCN1CCCCCC1 62a_100000722644_100000183996 [0,1,0,1,0,0|2,0,0]=4 15866 B17R1.151293 CC(C)NC(=O)NCCCN1CCCCCC1 2708a_100138425928_100000181460 [0,1,0,1,0,0|2,0,0]=4 15867 B17R1.151293 CC(C)NC(=O)NCCCN1CCCCCC1 273464a_100138425928_100000181460 [0,1,0,1,0,0|2,0,0]=4 15868 B17R1.151293 CC(C)NC(=O)NCCCN1CCCCCC1 512a_100000181460_100138425928 [0,1,0,1,0,0|2,0,0]=4 15869 B17R1.151293 CC(C)NC(=O)NCCCN1CCCCCC1 512a_100138425928_100000181460 [0,1,0,1,0,0|2,0,0]=4 15870 B17R1.151293 CC(C)OC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000760027 [0,1,0,1,0,0|2,0,0]=4 15871 B17R1.151293 CC(C)OC(=O)CCOCC1CCCCCC1 7a_100000699130_100000760027 [0,1,0,1,0,0|2,0,0]=4 15872 B17R1.151293 CC(C)OC(=O)CCSCC1CCCCCC1 62a_100000760027_200000696569 [0,1,0,1,0,0|2,0,0]=4 15873 B17R1.151293 CC(C)OC(=O)CCSCC1CCCCCC1 62a_200000696569_100000760027 [0,1,0,1,0,0|2,0,0]=4 15874 B17R1.151293 CC(C)OC(=O)CNCCC1CCCCCC1 2230a_100011532351_100011215430 [0,1,0,1,0,0|2,0,0]=4 15875 B17R1.151293 CC(C)OC(=O)CNCCC1CCCCCC1 34a_100011532351_100011215430 [0,1,0,1,0,0|2,0,0]=4 15876 B17R1.1450 CCCCCCCCCNC1CCCCC1=O 34a_100000212291_100000754470 [0,1,0,1,0,0|2,0,0]=4 15877 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 2230a_100000212291_100000687798 [0,1,0,1,0,0|1,0,0]=3 15878 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 2230a_100000747585_100011214924 [0,1,0,1,0,0|1,0,0]=3 15879 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 34a_100000212291_100000687798 [0,1,0,1,0,0|1,0,0]=3 15880 B17R1.1450 CCCCCCCCCNC1CCCNC1=O 34a_100000747585_100011214924 [0,1,0,1,0,0|1,0,0]=3 15881 B17R1.1450 CCCCCCCCCNC1COCCC1=O 34a_100000212291_100012180262 [0,1,0,1,0,0|2,0,0]=4 15882 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 34a_100000210712_100000754470 [0,1,0,1,0,0|2,0,0]=4 15883 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 34a_100011214950_100011214924 [0,1,0,1,0,0|2,0,0]=4 15884 B17R1.1450 CCCCCCCCCOC1CCCCC1=O 7a_100000210712_100000204591 [0,1,0,1,0,0|2,0,0]=4 15885 B17R1.1450 CCCCCCCCCOC1CCCNC1=O 34a_100000073722_100011214924 [0,1,0,1,0,0|1,0,0]=3 15886 B17R1.1450 CCCCCCCCCOC1CCCNC1=O 34a_100000210712_100000687798 [0,1,0,1,0,0|1,0,0]=3 15887 B17R1.1450 CCCCCCCCCOC1CCCNC1=O 7a_100000210712_100000687798 [0,1,0,1,0,0|1,0,0]=3 15888 B17R1.1450 CCCCCCCCCOC1COCCC1=O 34a_100000210712_100012180262 [0,1,0,1,0,0|2,0,0]=4 15889 B17R1.1450 CCCCCCCCCOC1COCCC1=O 7a_100000210712_100012180262 [0,1,0,1,0,0|2,0,0]=4 15890 B17R1.1450 CCCCCCCCCSC1CCCCC1=O 62a_100000204591_100000210670 [0,1,0,1,0,0|2,0,0]=4 15891 B17R1.1450 CCCCCCCCCSC1CCCNC1=O 62a_100000687798_100000210670 [0,1,0,1,0,0|1,0,0]=3 15892 B17R1.1450 CCCCCCCCCSC1COCCC1=O 62a_100012180262_100000210670 [0,1,0,1,0,0|2,0,0]=4 15893 B17R1.1450 CCCCCCCCOCC1CCCCC1=O 34a_100009861125_100000210759 [0,1,0,1,0,0|2,0,0]=4 15894 B17R1.1450 CCCCCCCCOCC1CCCCC1=O 7a_100009861125_100000210759 [0,1,0,1,0,0|2,0,0]=4 15895 B17R1.1450 CCCCCCCOCCC1NCCNC1=O 34a_100000044719_100000210614 [0,1,0,1,0,0|1,0,0]=3 15896 B17R1.1450 CCCCCCOCCOC1CCCNC1=O 34a_100000691444_100000687798 [0,1,0,1,0,0|2,0,0]=4 15897 B17R1.1450 CCCCCCOCCOC1CCCNC1=O 7a_100000691444_100000687798 [0,1,0,1,0,0|2,0,0]=4 15898 B17R1.1450 CCCCNCCCCOC1CCCNC1=O 34a_200011216965_100000687798 [0,1,0,1,0,0|2,0,0]=4 15899 B17R1.1450 CCCCOCCCCOC1CCCNC1=O 34a_200000760531_100000687798 [0,1,0,1,0,0|2,0,0]=4 15900 B17R1.1450 CCCCOCCCCOC1CCCNC1=O 7a_200000760531_100000687798 [0,1,0,1,0,0|2,0,0]=4 15901 B17R1.1450 CCCCOCCOCCC1NCCNC1=O 34a_100000044719_100000743108 [0,1,0,1,0,0|2,0,0]=4 15902 B17R1.1450 NCCCCCCCCOC1CCCNC1=O 34a_102515433106_100000687798 [0,1,0,1,0,0|2,0,0]=4 15903 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 2230a_100000747585_100000033203 [0,1,0,1,0,0|2,0,0]=4 15904 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 2230a_102515433106_100000687798 [0,1,0,1,0,0|2,0,0]=4 15905 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 34a_100000747585_100000033203 [0,1,0,1,0,0|2,0,0]=4 15906 B17R1.1450 O=C1NCCCC1NCCCCCCCCO 34a_102515433106_100000687798 [0,1,0,1,0,0|2,0,0]=4 15907 B17R1.1450 O=C1NCCCC1OCCCCCCCCBr 34a_100009813846_100000687798 [0,1,0,1,0,0|2,0,0]=4 15908 B17R1.1450 O=C1NCCCC1OCCCCCCCCBr 7a_100009813846_100000687798 [0,1,0,1,0,0|2,0,0]=4 15909 B17R1.1450 O=C1NCCCC1OCCCCCCCCCl 34a_100000033203_100000687798 [0,1,0,1,0,0|2,0,0]=4 15910 B17R1.1450 O=C1NCCCC1OCCCCCCCCCl 7a_100000033203_100000687798 [0,1,0,1,0,0|2,0,0]=4 15911 B17R1.1450 O=C1NCCCC1OCCCCCCCCO 34a_100000073722_100000033203 [0,1,0,1,0,0|2,0,0]=4 15912 B17R1.1450 O=C1NCCCC1SCCCCCCCCO 62a_100000033203_100000687798 [0,1,0,1,0,0|2,0,0]=4 15913 B17R1.1450 O=C1NCCCC1SCCCCCCCCO 62a_100000687798_100000033203 [0,1,0,1,0,0|2,0,0]=4 15914 B17R1.1450 O=C1NCCNC1CCOCCCCCCF 34a_100000044719_100015922095 [0,1,0,1,0,0|2,0,0]=4 15915 B17R1.1450 O=C1NCCNC1CCOCCCCCCO 34a_100000044719_100000766143 [0,1,0,1,0,0|2,0,0]=4 15916 B17R1.1515 CC1CCCCN1CCCNC(=O)NCCF 273464a_100000212276_100000724931 [0,1,0,1,0,0|2,0,0]=4 15917 B17R1.1515 CC1CCCCN1CCCNC(=O)NCCF 273464a_100000724931_100000212276 [0,1,0,1,0,0|2,0,0]=4 15918 B17R1.1515 CC1CCCCN1CCCNC(=O)NCCO 273464a_100000210304_100000212276 [0,1,0,1,0,0|2,0,0]=4 15919 B17R1.1515 CC1CCCCN1CCCNC(=O)NCCO 273464a_100000212276_100000210304 [0,1,0,1,0,0|2,0,0]=4 15920 B17R1.1515 CCCNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011194427 [0,1,0,1,0,0|1,0,0]=3 15921 B17R1.1515 CCCNC(=O)CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011194427 [0,1,0,1,0,0|2,0,0]=4 15922 B17R1.1515 CCCNC(=O)CCCOC1CCCCC1C 7a_100000211207_100011194427 [0,1,0,1,0,0|1,0,0]=3 15923 B17R1.1515 CCCNC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011194427 [0,1,0,1,0,0|2,0,0]=4 15924 B17R1.1515 CCCNC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011194427 [0,1,0,1,0,0|2,0,0]=4 15925 B17R1.1515 CCCNC(=O)CCCSC1CCCCC1F 62a_100011194427_100015423560 [0,1,0,1,0,0|2,0,0]=4 15926 B17R1.1515 CCCNC(=O)CCCSC1CCCCC1F 62a_100015423560_100011194427 [0,1,0,1,0,0|2,0,0]=4 15927 B17R1.1515 CCCNC(=O)CCCSC1CCCCC1O 62a_100000038908_100011194427 [0,1,0,1,0,0|2,0,0]=4 15928 B17R1.1515 CCCNC(=O)CCCSC1CCCCC1O 62a_100011194427_100000038908 [0,1,0,1,0,0|2,0,0]=4 15929 B17R1.1515 CCCNC(=O)CNCCC1CCCCN1C 2230a_100000174927_100000211948 [0,1,0,1,0,0|2,0,0]=4 15930 B17R1.1515 CCCNC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000183358 [0,1,0,1,0,0|2,0,0]=4 15931 B17R1.1515 CCCNC(=O)CNCCN1CCCCC1C 34a_100000739827_100000183358 [0,1,0,1,0,0|2,0,0]=4 15932 B17R1.1515 CCCNC(=O)COCCN1CCCCC1C 34a_100011305533_100000183358 [0,1,0,1,0,0|2,0,0]=4 15933 B17R1.1515 CCCNC(=O)CSCCC1CCCCN1C 62a_100000183358_100000211948 [0,1,0,1,0,0|2,0,0]=4 15934 B17R1.1515 CCCNC(=O)CSCCC1CCCCN1C 62a_100000211948_100000183358 [0,1,0,1,0,0|2,0,0]=4 15935 B17R1.1515 CCCNC(=O)NCCCN1CCCCC1C 2708a_100020643023_100000212276 [0,1,0,1,0,0|2,0,0]=4 15936 B17R1.1515 CCCNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100020643023 [0,1,0,1,0,0|2,0,0]=4 15937 B17R1.1515 CCCNC(=O)NCCCN1CCCCC1C 273464a_100020643023_100000212276 [0,1,0,1,0,0|2,0,0]=4 15938 B17R1.1515 CCCNC(=O)NCCCN1CCCCC1C 512a_100020643023_100000212276 [0,1,0,1,0,0|2,0,0]=4 15939 B17R1.1515 CCNCC(=O)NCCOC1CCCCC1C 2230a_100015525214_100000048872 [0,1,0,1,0,0|2,0,0]=4 15940 B17R1.1515 CCNNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100000756455 [0,1,0,1,0,0|2,0,0]=4 15941 B17R1.1515 CCNNC(=O)NCCCN1CCCCC1C 512a_100000756455_100000212276 [0,1,0,1,0,0|2,0,0]=4 15942 B17R1.1515 CN1CCCCC1CCNCC(=O)NCCF 2230a_100000725713_100000211948 [0,1,0,1,0,0|2,0,0]=4 15943 B17R1.1559 C#CCNC(=O)CCCCCN1CCCCC1 11a_100000212058_100012051570 [0,1,0,1,0,0|1,0,1]=4 15944 B17R1.1559 C#CCNC(=O)CCCCCN1CCCCC1 240690a_100000212058_100012051570 [0,1,0,1,0,0|1,0,1]=4 15945 B17R1.1559 C#CCNC(=O)CNCCCC1CCCCC1 2230a_100000747989_100011713725 [0,1,0,1,0,0|1,0,1]=4 15946 B17R1.1559 C#CCNC(=O)CNCCCC1CCCCC1 34a_100000747989_100011713725 [0,1,0,1,0,0|1,0,1]=4 15947 B17R1.1559 C=CCNC(=O)CCCCCN1CCCCC1 240690a_100020586998_100012051570 [0,1,0,1,0,0|1,0,1]=4 15948 B17R1.1559 C=CCNC(=O)CCNCCC1CCCCC1 2230a_100000738074_100011222895 [0,1,0,1,0,0|1,0,1]=4 15949 B17R1.1559 C=CCNC(=O)CCOCCC1CCCCC1 7a_100011217863_100011222895 [0,1,0,1,0,0|1,0,1]=4 15950 B17R1.1559 C=CCNC(=O)CCSCCC1CCCCC1 62a_100011222895_100012355289 [0,1,0,1,0,0|1,0,1]=4 15951 B17R1.1559 C=CCNC(=O)CCSCCC1CCCCC1 62a_100012355289_100011222895 [0,1,0,1,0,0|1,0,1]=4 15952 B17R1.1559 C=CCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183597 [0,1,0,1,0,0|1,0,1]=4 15953 B17R1.1559 C=CCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183597 [0,1,0,1,0,0|1,0,1]=4 15954 B17R1.1559 C=CCNC(=O)CSCCCC1CCCCC1 62a_100000183597_100011713725 [0,1,0,1,0,0|1,0,1]=4 15955 B17R1.1559 C=CCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183597 [0,1,0,1,0,0|1,0,1]=4 15956 B17R1.1559 CCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210211 [0,1,0,1,0,0|2,0,0]=4 15957 B17R1.1559 CCCNC(=O)CCCCCN1CCCCC1 11a_100020643023_100012051570 [0,1,0,1,0,0|1,0,0]=3 15958 B17R1.1559 CCCNC(=O)CCCCCN1CCCCC1 240690a_100020643023_100012051570 [0,1,0,1,0,0|1,0,0]=3 15959 B17R1.1559 CCCNC(=O)CCCCCN1CCOCC1 11a_100020643023_100012051560 [0,1,0,1,0,0|2,0,0]=4 15960 B17R1.1559 CCCNC(=O)CCCCCN1CCOCC1 240690a_100020643023_100012051560 [0,1,0,1,0,0|2,0,0]=4 15961 B17R1.1559 CCCNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011194427 [0,1,0,1,0,0|1,0,0]=3 15962 B17R1.1559 CCCNC(=O)CCCNCC1CCCCO1 2230a_100000174945_100011194427 [0,1,0,1,0,0|2,0,0]=4 15963 B17R1.1559 CCCNC(=O)CCCNCC1CCCOC1 2230a_100000720124_100011194427 [0,1,0,1,0,0|2,0,0]=4 15964 B17R1.1559 CCCNC(=O)CCCNCC1CCOCC1 2230a_100000746373_100011194427 [0,1,0,1,0,0|2,0,0]=4 15965 B17R1.1559 CCCNC(=O)CCCNCC1CCSCC1 2230a_100015188806_100011194427 [0,1,0,1,0,0|2,0,0]=4 15966 B17R1.1559 CCCNC(=O)CCCOCC1CCCCC1 7a_100000212181_100011194427 [0,1,0,1,0,0|1,0,0]=3 15967 B17R1.1559 CCCNC(=O)CCCOCC1CCCCO1 7a_100000211370_100011194427 [0,1,0,1,0,0|2,0,0]=4 15968 B17R1.1559 CCCNC(=O)CCCOCC1CCSCC1 7a_100000070558_100011194427 [0,1,0,1,0,0|2,0,0]=4 15969 B17R1.1559 CCCNC(=O)CCCSCC1CCCCC1 62a_100000211423_100011194427 [0,1,0,1,0,0|1,0,0]=3 15970 B17R1.1559 CCCNC(=O)CCCSCC1CCCCC1 62a_100011194427_100000211423 [0,1,0,1,0,0|1,0,0]=3 15971 B17R1.1559 CCCNC(=O)CCCSCC1CCCCO1 62a_100000211543_100011194427 [0,1,0,1,0,0|2,0,0]=4 15972 B17R1.1559 CCCNC(=O)CCCSCC1CCCCO1 62a_100011194427_100000211543 [0,1,0,1,0,0|2,0,0]=4 15973 B17R1.1559 CCCNC(=O)CCCSCC1CCCOC1 62a_100000741521_100011194427 [0,1,0,1,0,0|2,0,0]=4 15974 B17R1.1559 CCCNC(=O)CCCSCC1CCCOC1 62a_100011194427_100000741521 [0,1,0,1,0,0|2,0,0]=4 15975 B17R1.1559 CCCNC(=O)CCCSCC1CCOCC1 62a_100000754603_100011194427 [0,1,0,1,0,0|2,0,0]=4 15976 B17R1.1559 CCCNC(=O)CCCSCC1CCOCC1 62a_100011194427_100000749018 [0,1,0,1,0,0|2,0,0]=4 15977 B17R1.1559 CCCNC(=O)CNCCCC1CCCCC1 2230a_100000174927_100011713725 [0,1,0,1,0,0|1,0,0]=3 15978 B17R1.1559 CCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183358 [0,1,0,1,0,0|1,0,0]=3 15979 B17R1.1559 CCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183358 [0,1,0,1,0,0|1,0,0]=3 15980 B17R1.1559 CCCNC(=O)CNCCCN1CCCCC1 2230a_100000174927_100000690320 [0,1,0,1,0,0|2,0,0]=4 15981 B17R1.1559 CCCNC(=O)CNCCOC1CCCCC1 2230a_100000174927_100011211530 [0,1,0,1,0,0|2,0,0]=4 15982 B17R1.1559 CCCNC(=O)CNCCOC1CCCCC1 34a_100015206981_100000183358 [0,1,0,1,0,0|2,0,0]=4 15983 B17R1.1559 CCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183358 [0,1,0,1,0,0|1,0,0]=3 15984 B17R1.1559 CCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183358 [0,1,0,1,0,0|1,0,0]=3 15985 B17R1.1559 CCCNC(=O)COCCCC1CCCCN1 34a_100011934581_100000183358 [0,1,0,1,0,0|2,0,0]=4 15986 B17R1.1559 CCCNC(=O)COCCCC1CCCNC1 34a_100150707839_100000183358 [0,1,0,1,0,0|2,0,0]=4 15987 B17R1.1559 CCCNC(=O)COCCCC1CCNCC1 34a_100016988962_100000183358 [0,1,0,1,0,0|2,0,0]=4 15988 B17R1.1559 CCCNC(=O)COCCCN1CCCCC1 34a_100000212458_100000183358 [0,1,0,1,0,0|2,0,0]=4 15989 B17R1.1559 CCCNC(=O)COCCNC1CCCCC1 34a_100000200466_100000183358 [0,1,0,1,0,0|2,0,0]=4 15990 B17R1.1559 CCCNC(=O)COCCOC1CCCCC1 34a_100011249652_100000183358 [0,1,0,1,0,0|2,0,0]=4 15991 B17R1.1559 CCCNC(=O)COCCOC1CCCCC1 7a_100011249652_100000183358 [0,1,0,1,0,0|2,0,0]=4 15992 B17R1.1559 CCCNC(=O)CSCCCC1CCCCC1 62a_100000183358_100011713725 [0,1,0,1,0,0|1,0,0]=3 15993 B17R1.1559 CCCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183358 [0,1,0,1,0,0|1,0,0]=3 15994 B17R1.1559 CCCNC(=O)CSCCCN1CCCCC1 62a_100000183358_100000007876 [0,1,0,1,0,0|2,0,0]=4 15995 B17R1.1559 CCCNC(=O)CSCCCN1CCCCC1 62a_100132302099_100000183358 [0,1,0,1,0,0|2,0,0]=4 15996 B17R1.1559 CCCNC(=O)CSCCOC1CCCCC1 62a_100000183358_100011211530 [0,1,0,1,0,0|2,0,0]=4 15997 B17R1.1559 CCCNC(=O)CSCCOC1CCCCC1 62a_100011211530_100000183358 [0,1,0,1,0,0|2,0,0]=4 15998 B17R1.1559 CCCNC(=O)NCCCCN1CCCCC1 2708a_100020643023_200011207366 [0,1,0,1,0,0|2,0,0]=4 15999 B17R1.1559 CCCNC(=O)NCCCCN1CCCCC1 2708a_200011207366_100020643023 [0,1,0,1,0,0|2,0,0]=4 16000 B17R1.1559 CCCNC(=O)NCCCCN1CCCCC1 273464a_100020643023_200011207366 [0,1,0,1,0,0|2,0,0]=4 16001 B17R1.1559 CCCNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100020643023 [0,1,0,1,0,0|2,0,0]=4 16002 B17R1.1559 CCCNC(=O)NCCCCN1CCCCC1 512a_100020643023_200011207366 [0,1,0,1,0,0|2,0,0]=4 16003 B17R1.1559 CCCNC(=O)NCCCOC1CCCCC1 2708a_100000205933_100020643023 [0,1,0,1,0,0|2,0,0]=4 16004 B17R1.1559 CCCNC(=O)NCCCOC1CCCCC1 2708a_100020643023_100000205933 [0,1,0,1,0,0|2,0,0]=4 16005 B17R1.1559 CCCNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100020643023 [0,1,0,1,0,0|2,0,0]=4 16006 B17R1.1559 CCCNC(=O)NCCCOC1CCCCC1 273464a_100020643023_100000205933 [0,1,0,1,0,0|2,0,0]=4 16007 B17R1.1559 CCCNC(=O)NCCCOC1CCCCC1 512a_100000205933_100020643023 [0,1,0,1,0,0|2,0,0]=4 16008 B17R1.1559 CCCNC(=O)NCCCOC1CCCCC1 512a_100020643023_100000205933 [0,1,0,1,0,0|2,0,0]=4 16009 B17R1.1559 CCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_200011215008 [0,1,0,1,0,0|2,0,0]=4 16010 B17R1.1559 CCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_200011215008 [0,1,0,1,0,0|2,0,0]=4 16011 B17R1.1559 CCCOC(=O)COCCCC1CCCCC1 34a_100000198086_200011215008 [0,1,0,1,0,0|2,0,0]=4 16012 B17R1.1559 CCCOC(=O)COCCCC1CCCCC1 7a_100000198086_200011215008 [0,1,0,1,0,0|2,0,0]=4 16013 B17R1.1559 CCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_200011215008 [0,1,0,1,0,0|2,0,0]=4 16014 B17R1.1559 CCCOC(=O)CSCCCC1CCCCC1 62a_200011215008_100011713725 [0,1,0,1,0,0|2,0,0]=4 16015 B17R1.1559 CCNCC(=O)NCCCOC1CCCCC1 2230a_100015525214_100000742070 [0,1,0,1,0,0|2,0,0]=4 16016 B17R1.1559 CCNNC(=O)CCCCCN1CCCCC1 22a_100000756455_100012051570 [0,1,0,1,0,0|1,0,0]=3 16017 B17R1.1559 CCNNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100000756455 [0,1,0,1,0,0|2,0,0]=4 16018 B17R1.1559 CCNNC(=O)NCCCCN1CCCCC1 512a_100000756455_200011207366 [0,1,0,1,0,0|2,0,0]=4 16019 B17R1.1559 CCNNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100000756455 [0,1,0,1,0,0|2,0,0]=4 16020 B17R1.1559 CCNNC(=O)NCCCOC1CCCCC1 512a_100000205933_100000756455 [0,1,0,1,0,0|2,0,0]=4 16021 B17R1.1559 CCNNC(=O)NCCCOC1CCCCC1 512a_100000756455_100000205933 [0,1,0,1,0,0|2,0,0]=4 16022 B17R1.1559 COCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000233755 [0,1,0,1,0,0|2,0,0]=4 16023 B17R1.1559 CSCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000751147 [0,1,0,1,0,0|2,0,0]=4 16024 B17R1.1559 N#CCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000736037 [0,1,0,1,0,0|1,0,1]=4 16025 B17R1.1559 N#CCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000736037 [0,1,0,1,0,0|1,0,1]=4 16026 B17R1.1559 N#CCNC(=O)CSCCCC1CCCCC1 62a_100000736037_100011713725 [0,1,0,1,0,0|1,0,1]=4 16027 B17R1.1559 N#CCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000736037 [0,1,0,1,0,0|1,0,1]=4 16028 B17R1.1559 O=C(CCCCCN1CCCCC1)NCCF 11a_100000724931_100012051570 [0,1,0,1,0,0|1,0,0]=3 16029 B17R1.1559 O=C(CCCCCN1CCCCC1)NCCF 240690a_100000724931_100012051570 [0,1,0,1,0,0|1,0,0]=3 16030 B17R1.1559 O=C(CCCCCN1CCCCC1)NCCO 240690a_100000210304_100012051570 [0,1,0,1,0,0|1,0,0]=3 16031 B17R1.1559 O=C(CCCCCN1CCOCC1)NCCF 11a_100000724931_100012051560 [0,1,0,1,0,0|2,0,0]=4 16032 B17R1.1559 O=C(CCCCCN1CCOCC1)NCCF 240690a_100000724931_100012051560 [0,1,0,1,0,0|2,0,0]=4 16033 B17R1.1559 O=C(CCCCCN1CCOCC1)NCCO 240690a_100000210304_100012051560 [0,1,0,1,0,0|2,0,0]=4 16034 B17R1.1559 O=C(CCCF)CCCCCN1CCCCC1 1458a_100012051570_100011934791 [0,1,0,1,0,0|2,0,0]=4 16035 B17R1.1559 O=C(CCCO)CCCCCN1CCCCC1 1458a_100012051570_100011215043 [0,1,0,1,0,0|2,0,0]=4 16036 B17R1.1559 O=C(CNCCCC1CCCCC1)NCCF 2230a_100000725713_100011713725 [0,1,0,1,0,0|1,0,0]=3 16037 B17R1.1559 O=C(CNCCCN1CCCCC1)NCCF 2230a_100000725713_100000690320 [0,1,0,1,0,0|2,0,0]=4 16038 B17R1.1559 O=C(CNCCOC1CCCCC1)NCCF 2230a_100000725713_100011211530 [0,1,0,1,0,0|2,0,0]=4 16039 B17R1.1559 O=C(NCCF)NCCCCN1CCCCC1 2708a_200011207366_100000724931 [0,1,0,1,0,0|2,0,0]=4 16040 B17R1.1559 O=C(NCCF)NCCCCN1CCCCC1 273464a_100000724931_200011207366 [0,1,0,1,0,0|2,0,0]=4 16041 B17R1.1559 O=C(NCCF)NCCCCN1CCCCC1 273464a_200011207366_100000724931 [0,1,0,1,0,0|2,0,0]=4 16042 B17R1.1559 O=C(NCCF)NCCCOC1CCCCC1 2708a_100000205933_100000724931 [0,1,0,1,0,0|2,0,0]=4 16043 B17R1.1559 O=C(NCCF)NCCCOC1CCCCC1 273464a_100000205933_100000724931 [0,1,0,1,0,0|2,0,0]=4 16044 B17R1.1559 O=C(NCCF)NCCCOC1CCCCC1 273464a_100000724931_100000205933 [0,1,0,1,0,0|2,0,0]=4 16045 B17R1.1559 O=C(NCCF)NCCCOC1CCCCC1 512a_100000205933_100000724931 [0,1,0,1,0,0|2,0,0]=4 16046 B17R1.1559 O=C(NCCO)NCCCCN1CCCCC1 2708a_200011207366_100000210304 [0,1,0,1,0,0|2,0,0]=4 16047 B17R1.1559 O=C(NCCO)NCCCCN1CCCCC1 273464a_100000210304_200011207366 [0,1,0,1,0,0|2,0,0]=4 16048 B17R1.1559 O=C(NCCO)NCCCCN1CCCCC1 273464a_200011207366_100000210304 [0,1,0,1,0,0|2,0,0]=4 16049 B17R1.1559 O=C(NCCO)NCCCOC1CCCCC1 2708a_100000205933_100000210304 [0,1,0,1,0,0|2,0,0]=4 16050 B17R1.1559 O=C(NCCO)NCCCOC1CCCCC1 273464a_100000205933_100000210304 [0,1,0,1,0,0|2,0,0]=4 16051 B17R1.1559 O=C(NCCO)NCCCOC1CCCCC1 273464a_100000210304_100000205933 [0,1,0,1,0,0|2,0,0]=4 16052 B17R1.1559 O=C(NCCO)NCCCOC1CCCCC1 512a_100000205933_100000210304 [0,1,0,1,0,0|2,0,0]=4 16053 B17R1.1575 C=CCNC(=O)CCOC1CCCCC1CC 7a_100000210738_100011222895 [0,1,0,1,0,0|1,0,1]=4 16054 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCF 2708a_100000755458_100000724931 [0,1,0,1,0,0|2,0,0]=4 16055 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCF 273464a_100000724931_100000755458 [0,1,0,1,0,0|2,0,0]=4 16056 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCF 273464a_100000755458_100000724931 [0,1,0,1,0,0|2,0,0]=4 16057 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCF 512a_100000755458_100000724931 [0,1,0,1,0,0|2,0,0]=4 16058 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCO 2708a_100000755458_100000210304 [0,1,0,1,0,0|2,0,0]=4 16059 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCO 273464a_100000210304_100000755458 [0,1,0,1,0,0|2,0,0]=4 16060 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCO 273464a_100000755458_100000210304 [0,1,0,1,0,0|2,0,0]=4 16061 B17R1.1575 CCC1CCCCN1CCNC(=O)NCCO 512a_100000755458_100000210304 [0,1,0,1,0,0|2,0,0]=4 16062 B17R1.1575 CCCNC(=O)CCCN1CCCCC1CC 2230a_100000210034_100011194427 [0,1,0,1,0,0|1,0,0]=3 16063 B17R1.1575 CCCNC(=O)CCCN1CCCCC1CC 269982a_100000210034_100011194427 [0,1,0,1,0,0|1,0,0]=3 16064 B17R1.1575 CCCNC(=O)CCCN1CCCCC1CO 2230a_100000210821_100011194427 [0,1,0,1,0,0|2,0,0]=4 16065 B17R1.1575 CCCNC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011194427 [0,1,0,1,0,0|2,0,0]=4 16066 B17R1.1575 CCCNC(=O)CCCN1CCOC[C@@H]1CC 2230a_100016988097_100011194427 [0,1,0,1,0,0|2,0,0]=4 16067 B17R1.1575 CCCNC(=O)CCCN1CCOC[C@@H]1CC 269982a_100016988097_100011194427 [0,1,0,1,0,0|2,0,0]=4 16068 B17R1.1575 CCCNC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000183358 [0,1,0,1,0,0|2,0,0]=4 16069 B17R1.1575 CCCNC(=O)CNCC1CCCCN1CC 34a_100000754393_100000183358 [0,1,0,1,0,0|2,0,0]=4 16070 B17R1.1575 CCCNC(=O)COCC1CCCCN1CC 34a_100000225091_100000183358 [0,1,0,1,0,0|2,0,0]=4 16071 B17R1.1575 CCCNC(=O)COCC1CCCCN1CC 7a_100000225091_100000183358 [0,1,0,1,0,0|2,0,0]=4 16072 B17R1.1575 CCCNC(=O)NCCN1CCCCC1CC 2708a_100000755458_100020643023 [0,1,0,1,0,0|2,0,0]=4 16073 B17R1.1575 CCCNC(=O)NCCN1CCCCC1CC 2708a_100020643023_100000755458 [0,1,0,1,0,0|2,0,0]=4 16074 B17R1.1575 CCCNC(=O)NCCN1CCCCC1CC 273464a_100000755458_100020643023 [0,1,0,1,0,0|2,0,0]=4 16075 B17R1.1575 CCCNC(=O)NCCN1CCCCC1CC 273464a_100020643023_100000755458 [0,1,0,1,0,0|2,0,0]=4 16076 B17R1.1575 CCCNC(=O)NCCN1CCCCC1CC 512a_100000755458_100020643023 [0,1,0,1,0,0|2,0,0]=4 16077 B17R1.1575 CCCNC(=O)NCCN1CCCCC1CC 512a_100020643023_100000755458 [0,1,0,1,0,0|2,0,0]=4 16078 B17R1.1575 CCNNC(=O)NCCN1CCCCC1CC 273464a_100000755458_100000756455 [0,1,0,1,0,0|2,0,0]=4 16079 B17R1.1575 CCNNC(=O)NCCN1CCCCC1CC 512a_100000755458_100000756455 [0,1,0,1,0,0|2,0,0]=4 16080 B17R1.1575 CCNNC(=O)NCCN1CCCCC1CC 512a_100000756455_100000755458 [0,1,0,1,0,0|2,0,0]=4 16081 B17R1.6358 CCCNC(=O)N1CCCCC1CCCOC 2708a_100020643023_100011804088 [0,1,0,1,0,0|2,0,0]=4 16082 B17R1.6358 CCCNC(=O)N1CCCCC1CCCOC 273464a_100020643023_100011804088 [0,1,0,1,0,0|2,0,0]=4 16083 B17R1.6358 COCCCC1CCCCN1C(=O)NCCF 273464a_100000724931_100011804088 [0,1,0,1,0,0|2,0,0]=4 16084 B17R1.6358 COCCCC1CCCCN1C(=O)NCCO 273464a_100000210304_100011804088 [0,1,0,1,0,0|2,0,0]=4 16085 B17R1.22112 CCCCC1CCCC1NCC(=O)NCCC 269862a_100000174927_100000750825 [0,1,0,1,0,0|1,0,0]=3 16086 B17R1.22112 CCCCC1CCCC1NCC(=O)NCCC 270004a_100000174927_100000750825 [0,1,0,1,0,0|1,0,0]=3 16087 B17R1.22112 CCCCC1CCCC1NCC(=O)NCCF 270004a_100000725713_100000750825 [0,1,0,1,0,0|1,0,0]=3 16088 B17R1.22462 CCCNC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000183358 [0,1,0,1,0,0|2,0,0]=4 16089 B17R1.22462 CCCNC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000183358 [0,1,0,1,0,0|2,0,0]=4 16090 B17R1.22462 CCCNC(=O)CN1CCCCC1CCCO 34a_100011934581_100000183358 [0,1,0,1,0,0|2,0,0]=4 16091 B17R1.22462 CCCNC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000183358 [0,1,0,1,0,0|2,0,0]=4 16092 B17R1.22462 CCCNC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000183358 [0,1,0,1,0,0|2,0,0]=4 16093 B17R1.22462 CCCNC(=O)CN1CCCCC1CCOC 34a_100015186528_100000183358 [0,1,0,1,0,0|2,0,0]=4 16094 B17R1.29865 C=CCNC(=O)CCN1CCCCC1CCC 2230a_100000701414_100011222895 [0,1,0,1,0,0|1,0,1]=4 16095 B17R1.29865 C=CCNC(=O)CCN1CCCCC1CCC 269982a_100000701414_100011222895 [0,1,0,1,0,0|1,0,1]=4 16096 B17R1.29865 C=CCNC(=O)COC1CCCCC1CCC 7a_100011217265_100000183597 [0,1,0,1,0,0|1,0,1]=4 16097 B17R1.29865 CCCC1CCCCC1NCC(=O)NCCF 270004a_100000725713_100011218038 [0,1,0,1,0,0|1,0,0]=3 16098 B17R1.29865 CCCC1CCCCC1OCC(=O)NCC#N 7a_100011217265_100000736037 [0,1,0,1,0,0|1,0,1]=4 16099 B17R1.29865 CCCNC(=O)CNC1CCCCC1CCC 269862a_100000174927_100011218038 [0,1,0,1,0,0|1,0,0]=3 16100 B17R1.29865 CCCNC(=O)CNC1CCCCC1CCC 270004a_100000174927_100011218038 [0,1,0,1,0,0|1,0,0]=3 16101 B17R1.29865 CCCNC(=O)CNC1CCCCC1OCC 270004a_100000174927_200000031474 [0,1,0,1,0,0|2,0,0]=4 16102 B17R1.29865 CCCNC(=O)COC1CCCCC1CCC 34a_100011217265_100000183358 [0,1,0,1,0,0|1,0,0]=3 16103 B17R1.29865 CCCNC(=O)COC1CCCCC1CCC 7a_100011217265_100000183358 [0,1,0,1,0,0|1,0,0]=3 16104 B17R1.29865 CCCOC(=O)COC1CCCCC1CCC 34a_100011217265_200011215008 [0,1,0,1,0,0|2,0,0]=4 16105 B17R1.29865 CCCOC(=O)COC1CCCCC1CCC 7a_100011217265_200011215008 [0,1,0,1,0,0|2,0,0]=4 16106 B17R1.29865 CCOC1CCCCC1NCC(=O)NCCF 270004a_100000725713_200000031474 [0,1,0,1,0,0|2,0,0]=4 16107 B17R1.29867 C=CCNC(=O)CCN1CCCCCCCC1 2230a_100000039187_100011222895 [0,1,0,1,0,0|1,0,1]=4 16108 B17R1.29867 C=CCNC(=O)CCN1CCCCCCCC1 269982a_100000039187_100011222895 [0,1,0,1,0,0|1,0,1]=4 16109 B17R1.29867 CCCNC(=O)CNC1CCCCCCCC1 270004a_100000174927_100000038600 [0,1,0,1,0,0|1,0,0]=3 16110 B17R1.29867 O=C(CNC1CCCCCCCC1)NCCF 270004a_100000725713_100000038600 [0,1,0,1,0,0|1,0,0]=3 16111 B17R1.29890 C=CCNC(=O)CCNCC1CCCCCC1 2230a_100015204231_100011222895 [0,1,0,1,0,0|1,0,1]=4 16112 B17R1.29890 C=CCNC(=O)CCOCC1CCCCCC1 7a_100000699130_100011222895 [0,1,0,1,0,0|1,0,1]=4 16113 B17R1.29890 C=CCNC(=O)CCSCC1CCCCCC1 62a_100011222895_200000696569 [0,1,0,1,0,0|1,0,1]=4 16114 B17R1.29890 C=CCNC(=O)CCSCC1CCCCCC1 62a_200000696569_100011222895 [0,1,0,1,0,0|1,0,1]=4 16115 B17R1.29890 C=CCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183597 [0,1,0,1,0,0|1,0,1]=4 16116 B17R1.29890 CCCNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011194427 [0,1,0,1,0,0|1,0,0]=3 16117 B17R1.29890 CCCNC(=O)CCCOC1CCCCCC1 7a_100000210887_100011194427 [0,1,0,1,0,0|1,0,0]=3 16118 B17R1.29890 CCCNC(=O)CCCSC1CCCCCC1 62a_100011194427_100011217769 [0,1,0,1,0,0|1,0,0]=3 16119 B17R1.29890 CCCNC(=O)CCCSC1CCCCCC1 62a_100011217769_100011194427 [0,1,0,1,0,0|1,0,0]=3 16120 B17R1.29890 CCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183358 [0,1,0,1,0,0|1,0,0]=3 16121 B17R1.29890 CCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183358 [0,1,0,1,0,0|1,0,0]=3 16122 B17R1.29890 CCCNC(=O)COCCN1CCCCCC1 34a_100000238007_100000183358 [0,1,0,1,0,0|2,0,0]=4 16123 B17R1.29890 CCCNC(=O)CSCCN1CCCCCC1 62a_100000183358_100000722644 [0,1,0,1,0,0|2,0,0]=4 16124 B17R1.29890 CCCNC(=O)CSCCN1CCCCCC1 62a_100000722644_100000183358 [0,1,0,1,0,0|2,0,0]=4 16125 B17R1.29890 CCCNC(=O)NCCCN1CCCCCC1 2708a_100020643023_100000181460 [0,1,0,1,0,0|2,0,0]=4 16126 B17R1.29890 CCCNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100020643023 [0,1,0,1,0,0|2,0,0]=4 16127 B17R1.29890 CCCNC(=O)NCCCN1CCCCCC1 273464a_100020643023_100000181460 [0,1,0,1,0,0|2,0,0]=4 16128 B17R1.29890 CCCNC(=O)NCCCN1CCCCCC1 512a_100000181460_100020643023 [0,1,0,1,0,0|2,0,0]=4 16129 B17R1.29890 CCCNC(=O)NCCCN1CCCCCC1 512a_100020643023_100000181460 [0,1,0,1,0,0|2,0,0]=4 16130 B17R1.29890 CCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_200011215008 [0,1,0,1,0,0|2,0,0]=4 16131 B17R1.29890 CCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_200011215008 [0,1,0,1,0,0|2,0,0]=4 16132 B17R1.29890 CCNNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100000756455 [0,1,0,1,0,0|2,0,0]=4 16133 B17R1.29890 CCNNC(=O)NCCCN1CCCCCC1 512a_100000181460_100000756455 [0,1,0,1,0,0|2,0,0]=4 16134 B17R1.29890 CCNNC(=O)NCCCN1CCCCCC1 512a_100000756455_100000181460 [0,1,0,1,0,0|2,0,0]=4 16135 B17R1.29890 N#CCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000736037 [0,1,0,1,0,0|1,0,1]=4 16136 B17R1.29890 O=C(NCCF)NCCCN1CCCCCC1 273464a_100000181460_100000724931 [0,1,0,1,0,0|2,0,0]=4 16137 B17R1.29890 O=C(NCCF)NCCCN1CCCCCC1 273464a_100000724931_100000181460 [0,1,0,1,0,0|2,0,0]=4 16138 B17R1.29890 O=C(NCCF)NCCCN1CCCCCC1 512a_100000181460_100000724931 [0,1,0,1,0,0|2,0,0]=4 16139 B17R1.29890 O=C(NCCO)NCCCN1CCCCCC1 273464a_100000181460_100000210304 [0,1,0,1,0,0|2,0,0]=4 16140 B17R1.29890 O=C(NCCO)NCCCN1CCCCCC1 273464a_100000210304_100000181460 [0,1,0,1,0,0|2,0,0]=4 16141 B17R1.29890 O=C(NCCO)NCCCN1CCCCCC1 512a_100000181460_100000210304 [0,1,0,1,0,0|2,0,0]=4 16142 B17R1.30208 C#CCNC(=O)NCCC1CCCCCCC1 2708a_100000212058_100011532352 [0,1,0,1,0,0|1,0,1]=4 16143 B17R1.30208 C#CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000212058 [0,1,0,1,0,0|1,0,1]=4 16144 B17R1.30208 C#CCNC(=O)NCCC1CCCCCCC1 273464a_100000212058_100011532352 [0,1,0,1,0,0|1,0,1]=4 16145 B17R1.30208 C#CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000212058 [0,1,0,1,0,0|1,0,1]=4 16146 B17R1.30208 C#CCNC(=O)NCCC1CCCCCCC1 512a_100000212058_100011532352 [0,1,0,1,0,0|1,0,1]=4 16147 B17R1.30208 C=CCNC(=O)CCNC1CCCCCCC1 2230a_100000211152_100011222895 [0,1,0,1,0,0|1,0,1]=4 16148 B17R1.30208 C=CCNC(=O)CCOC1CCCCCCC1 7a_100000210054_100011222895 [0,1,0,1,0,0|1,0,1]=4 16149 B17R1.30208 C=CCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183597 [0,1,0,1,0,0|1,0,1]=4 16150 B17R1.30208 C=CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100020586998 [0,1,0,1,0,0|1,0,1]=4 16151 B17R1.30208 C=CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100020586998 [0,1,0,1,0,0|1,0,1]=4 16152 B17R1.30208 C=CCNC(=O)NCCC1CCCCCCC1 273464a_100020586998_100011532352 [0,1,0,1,0,0|1,0,1]=4 16153 B17R1.30208 C=CCNC(=O)NCCC1CCCCCCC1 512a_100020586998_100011532352 [0,1,0,1,0,0|1,0,1]=4 16154 B17R1.30208 CCC=CC(=O)NCCC1CCCCCCC1 11a_100011532352_100000212282 [0,1,0,1,0,0|2,0,0]=4 16155 B17R1.30208 CCC=CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000212282 [0,1,0,1,0,0|2,0,0]=4 16156 B17R1.30208 CCC=CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000212282 [0,1,0,1,0,0|2,0,0]=4 16157 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000210183 [0,1,0,1,0,0|2,0,0]=4 16158 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000210183 [0,1,0,1,0,0|2,0,0]=4 16159 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000210183 [0,1,0,1,0,0|2,0,0]=4 16160 B17R1.30208 CCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000210183 [0,1,0,1,0,0|2,0,0]=4 16161 B17R1.30208 CCCNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011194427 [0,1,0,1,0,0|1,0,0]=3 16162 B17R1.30208 CCCNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011194427 [0,1,0,1,0,0|1,0,0]=3 16163 B17R1.30208 CCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183358 [0,1,0,1,0,0|1,0,0]=3 16164 B17R1.30208 CCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183358 [0,1,0,1,0,0|1,0,0]=3 16165 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100020643023 [0,1,0,1,0,0|1,0,0]=3 16166 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 2708a_100020643023_100011532352 [0,1,0,1,0,0|1,0,0]=3 16167 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100020643023 [0,1,0,1,0,0|1,0,0]=3 16168 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 273464a_100020643023_100011532352 [0,1,0,1,0,0|1,0,0]=3 16169 B17R1.30208 CCCNC(=O)NCCC1CCCCCCC1 512a_100020643023_100011532352 [0,1,0,1,0,0|1,0,0]=3 16170 B17R1.30208 CCCOC(=O)COCC1CCCCCCC1 34a_100011216312_200011215008 [0,1,0,1,0,0|2,0,0]=4 16171 B17R1.30208 CCCOC(=O)COCC1CCCCCCC1 7a_100011216312_200011215008 [0,1,0,1,0,0|2,0,0]=4 16172 B17R1.30208 CCNNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000756455 [0,1,0,1,0,0|1,0,0]=3 16173 B17R1.30208 CCNNC(=O)NCCC1CCCCCCC1 512a_100000756455_100011532352 [0,1,0,1,0,0|1,0,0]=3 16174 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000211967 [0,1,0,1,0,0|2,0,0]=4 16175 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000211967 [0,1,0,1,0,0|2,0,0]=4 16176 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000211967 [0,1,0,1,0,0|2,0,0]=4 16177 B17R1.30208 CCOCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000211967 [0,1,0,1,0,0|2,0,0]=4 16178 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000230394 [0,1,0,1,0,0|2,0,0]=4 16179 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000230394 [0,1,0,1,0,0|2,0,0]=4 16180 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000230394 [0,1,0,1,0,0|2,0,0]=4 16181 B17R1.30208 CCSCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000230394 [0,1,0,1,0,0|2,0,0]=4 16182 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000749529 [0,1,0,1,0,0|2,0,0]=4 16183 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000749529 [0,1,0,1,0,0|2,0,0]=4 16184 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000749529 [0,1,0,1,0,0|2,0,0]=4 16185 B17R1.30208 COCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000749529 [0,1,0,1,0,0|2,0,0]=4 16186 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000174002 [0,1,0,1,0,0|2,0,0]=4 16187 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000174002 [0,1,0,1,0,0|2,0,0]=4 16188 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000174002 [0,1,0,1,0,0|2,0,0]=4 16189 B17R1.30208 CSCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000174002 [0,1,0,1,0,0|2,0,0]=4 16190 B17R1.30208 N#CCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000736037 [0,1,0,1,0,0|1,0,1]=4 16191 B17R1.30208 N#CCNC(=O)NCCC1CCCCCCC1 2708a_100000734998_100011532352 [0,1,0,1,0,0|1,0,1]=4 16192 B17R1.30208 N#CCNC(=O)NCCC1CCCCCCC1 273464a_100000734998_100011532352 [0,1,0,1,0,0|1,0,1]=4 16193 B17R1.30208 N#CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000734998 [0,1,0,1,0,0|1,0,1]=4 16194 B17R1.30208 N#CCNC(=O)NCCC1CCCCCCC1 512a_100000734998_100011532352 [0,1,0,1,0,0|1,0,1]=4 16195 B17R1.30208 O=C(NCCF)NCCC1CCCCCCC1 2708a_100011532352_100000724931 [0,1,0,1,0,0|1,0,0]=3 16196 B17R1.30208 O=C(NCCF)NCCC1CCCCCCC1 273464a_100000724931_100011532352 [0,1,0,1,0,0|1,0,0]=3 16197 B17R1.30208 O=C(NCCF)NCCC1CCCCCCC1 273464a_100011532352_100000724931 [0,1,0,1,0,0|1,0,0]=3 16198 B17R1.30208 O=C(NCCO)NCCC1CCCCCCC1 2708a_100011532352_100000210304 [0,1,0,1,0,0|1,0,0]=3 16199 B17R1.30208 O=C(NCCO)NCCC1CCCCCCC1 273464a_100000210304_100011532352 [0,1,0,1,0,0|1,0,0]=3 16200 B17R1.30208 O=C(NCCO)NCCC1CCCCCCC1 273464a_100011532352_100000210304 [0,1,0,1,0,0|1,0,0]=3 16201 B17R1.30209 CCCNC(=O)CCCN1CCC[C@H]1COC 2230a_100020646714_100011194427 [0,1,0,1,0,0|2,0,0]=4 16202 B17R1.30209 CCCNC(=O)CCCN1CCC[C@H]1COC 269982a_100020646714_100011194427 [0,1,0,1,0,0|2,0,0]=4 16203 B17R1.30209 CCCNC(=O)COCC1CCCN1CCC 34a_200000694710_100000183358 [0,1,0,1,0,0|2,0,0]=4 16204 B17R1.30209 CCCNC(=O)COCC1CCCN1CCC 7a_200000694710_100000183358 [0,1,0,1,0,0|2,0,0]=4 16205 B17R1.34528 CCCCCCCCCCc1c([nH][nH]c1=O)C 271570a_100000061613_100000686169 [0,1,0,1,0,0|0,0,2]=4 16206 B17R1.34528 CCCCCCCCCNC1C(=O)NN=C1C 2230a_100000212291_200009843013 [0,1,0,1,0,0|1,0,1]=4 16207 B17R1.34528 CCCCCCCCCOC1C(=O)NN=C1C 7a_100000210712_200009843013 [0,1,0,1,0,0|1,0,1]=4 16208 B17R1.60382 CCCCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210759 [0,1,0,1,0,0|1,0,0]=3 16209 B17R1.60382 CCCCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210759 [0,1,0,1,0,0|1,0,0]=3 16210 B17R1.60382 CCCCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210759 [0,1,0,1,0,0|1,0,0]=3 16211 B17R1.60382 COCCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100011998445 [0,1,0,1,0,0|2,0,0]=4 16212 B17R1.60382 COCCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100011998445 [0,1,0,1,0,0|2,0,0]=4 16213 B17R1.60382 COCCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100011998445 [0,1,0,1,0,0|2,0,0]=4 16214 B17R1.60382 C[C@H]1CNC(=O)CCN1CCCCCCCO 2230a_102125656889_100000760002 [0,1,0,1,0,0|2,0,0]=4 16215 B17R1.60382 C[C@H]1CNC(=O)CCN1CCCCCCCO 269982a_102125656889_100000760002 [0,1,0,1,0,0|2,0,0]=4 16216 B17R1.60382 C[C@H]1CNC(=O)CCN1CCCCCCCO 34a_102125656889_100000760002 [0,1,0,1,0,0|2,0,0]=4 16217 B17R1.12 CCNC(=O)COCCCC1CCN(CC1)C 34a_100000083870_100000183381 [0,1,0,1,0,0|2,0,0]=4 16218 B17R1.12 CCNC(=O)COCCCC1CCN(CC1)C 7a_100000083870_100000183381 [0,1,0,1,0,0|2,0,0]=4 16219 B17R1.12 CCNC(=O)COCCCN1CCC(CC1)C 34a_200000213400_100000183381 [0,1,0,1,0,0|2,0,0]=4 16220 B17R1.12 CCNC(=O)NCCCCN1CCC(CC1)C 2708a_100000740174_100015525214 [0,1,0,1,0,0|2,0,0]=4 16221 B17R1.12 CCNC(=O)NCCCCN1CCC(CC1)C 2708a_100015525214_100000740174 [0,1,0,1,0,0|2,0,0]=4 16222 B17R1.12 CCNC(=O)NCCCCN1CCC(CC1)C 273464a_100000740174_100015525214 [0,1,0,1,0,0|2,0,0]=4 16223 B17R1.12 CCNC(=O)NCCCCN1CCC(CC1)C 273464a_100015525214_100000740174 [0,1,0,1,0,0|2,0,0]=4 16224 B17R1.12 CCNC(=O)NCCCCN1CCC(CC1)C 512a_100000740174_100015525214 [0,1,0,1,0,0|2,0,0]=4 16225 B17R1.12 CCNC(=O)NCCCCN1CCC(CC1)C 512a_100015525214_100000740174 [0,1,0,1,0,0|2,0,0]=4 16226 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)C 2230a_100000188429_100000755133 [0,1,0,1,0,0|2,0,0]=4 16227 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)C 269982a_100000188429_100000755133 [0,1,0,1,0,0|2,0,0]=4 16228 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)C 34a_100000188429_100000755133 [0,1,0,1,0,0|2,0,0]=4 16229 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)F 2230a_100015193889_100000755133 [0,1,0,1,0,0|2,0,0]=4 16230 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)F 269982a_100015193889_100000755133 [0,1,0,1,0,0|2,0,0]=4 16231 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)F 34a_100015193889_100000755133 [0,1,0,1,0,0|2,0,0]=4 16232 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)O 2230a_100025773856_100000755133 [0,1,0,1,0,0|2,0,0]=4 16233 B17R1.12 CCOC(=O)CCCCCN1CCC(CC1)O 269982a_100025773856_100000755133 [0,1,0,1,0,0|2,0,0]=4 16234 B17R1.12 CCOC(=O)CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000750268 [0,1,0,1,0,0|2,0,0]=4 16235 B17R1.12 CCOC(=O)CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000750268 [0,1,0,1,0,0|2,0,0]=4 16236 B17R1.12 CCOC(=O)CCCCOC1CCC(CC1)C 34a_100000210714_100000750268 [0,1,0,1,0,0|2,0,0]=4 16237 B17R1.12 CCOC(=O)CCCCOC1CCC(CC1)C 7a_100000210714_100000750268 [0,1,0,1,0,0|2,0,0]=4 16238 B17R1.12 CCOC(=O)CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000750268 [0,1,0,1,0,0|2,0,0]=4 16239 B17R1.12 CCOC(=O)CCCCSC1CCC(CC1)C 62a_100000750268_200011216234 [0,1,0,1,0,0|2,0,0]=4 16240 B17R1.12 CCOC(=O)CCCNCC1CCC(CC1)C 2230a_103436935547_100009991533 [0,1,0,1,0,0|2,0,0]=4 16241 B17R1.12 CCOC(=O)CCCNCC1CCC(CC1)C 34a_103436935547_100009991533 [0,1,0,1,0,0|2,0,0]=4 16242 B17R1.12 CCOC(=O)CCCOCC1CCC(CC1)C 34a_100000701341_100009991533 [0,1,0,1,0,0|2,0,0]=4 16243 B17R1.12 CCOC(=O)CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009991533 [0,1,0,1,0,0|2,0,0]=4 16244 B17R1.12 CCOC(=O)CCNCCC1CCC(CC1)O 34a_200011935226_100000765890 [0,1,0,1,0,0|2,0,0]=4 16245 B17R1.12 CCOC(=O)CCOCCC1CCC(CC1)N 34a_100000070672_100000765890 [0,1,0,1,0,0|2,0,0]=4 16246 B17R1.938 CCOC(=O)CCCNC1CCCC(C1C)C 2230a_100000211273_100009991533 [0,1,0,1,0,0|2,0,0]=4 16247 B17R1.938 CCOC(=O)CCCNC1CCCC(C1C)C 34a_100000211273_100009991533 [0,1,0,1,0,0|2,0,0]=4 16248 B17R1.938 CCOC(=O)CCCOC1CCCC(C1C)C 34a_100011217532_100009991533 [0,1,0,1,0,0|2,0,0]=4 16249 B17R1.938 CCOC(=O)CCCOC1CCCC(C1C)C 7a_100011217532_100011215271 [0,1,0,1,0,0|2,0,0]=4 16250 B17R1.1022 CCNC(=O)[C@@H]1CCCN1CCCN(C)CC 2230a_100020641767_100015186262 [0,1,0,1,0,0|2,0,0]=4 16251 B17R1.1022 CCNC(=O)[C@@H]1CCCN1CCCN(C)CC 269982a_100020641767_100015186262 [0,1,0,1,0,0|2,0,0]=4 16252 B17R1.1670 CCOC(=O)CC1CCCCN1CC(C)CC 2230a_100116209990_100000748023 [0,1,0,1,0,0|2,0,0]=4 16253 B17R1.1670 CCOC(=O)CC1CCCCN1CC(C)CC 269982a_100116209990_100000748023 [0,1,0,1,0,0|2,0,0]=4 16254 B17R1.1670 CCOC(=O)CC1CCCCN1CC(O)CC 2230a_100116209990_100011218378 [0,1,0,1,0,0|2,0,0]=4 16255 B17R1.1670 CCOC(=O)CC1CCCCN1CC(O)CC 269982a_100116209990_100011218378 [0,1,0,1,0,0|2,0,0]=4 16256 B17R1.1670 CCOC(=O)CC1CCCCN1C[C@@H](C)CC 2230a_100116209990_100009816398 [0,1,0,1,0,0|2,0,0]=4 16257 B17R1.1670 CCOC(=O)CC1CCCCN1C[C@@H](C)CC 269982a_100116209990_100009816398 [0,1,0,1,0,0|2,0,0]=4 16258 B17R1.21058 CCOC(=O)C1CCCCC1OCC(C)CC 7a_100000038711_100000748023 [0,1,0,1,0,0|2,0,0]=4 16259 B17R1.21058 CCOC(=O)C1CCCCC1OCC(O)CC 7a_100000038711_100011218378 [0,1,0,1,0,0|2,0,0]=4 16260 B17R1.21058 CCOC(=O)C1CCCCC1OC[C@@H](C)CC 7a_100000038711_100009816398 [0,1,0,1,0,0|2,0,0]=4 16261 B17R1.30575 CCOC(=O)CCCCCCCNC1(CC1)C 2230a_100000757604_100009991516 [0,1,0,1,0,0|2,0,0]=4 16262 B17R1.30575 CCOC(=O)CCCCCCCOC1(CC1)C 7a_100011725673_100009991516 [0,1,0,1,0,0|2,0,0]=4 16263 B17R1.30575 CCOC(=O)CCCCCCNCC1(CC1)C 2230a_100000766693_100009814379 [0,1,0,1,0,0|2,0,0]=4 16264 B17R1.30575 CCOC(=O)CCCCCCNCC1(CC1)O 2230a_100011936951_100009814379 [0,1,0,1,0,0|2,0,0]=4 16265 B17R1.30575 CCOC(=O)CCCCCCOCC1(CC1)C 7a_100000698024_100009814379 [0,1,0,1,0,0|2,0,0]=4 16266 B17R1.30575 CCOC(=O)CCCCCCOCC1(CC1)F 34a_200000703853_100009814379 [0,1,0,1,0,0|2,0,0]=4 16267 B17R1.30575 CCOC(=O)CCCCCCOCC1(CC1)F 7a_200000703853_100009814379 [0,1,0,1,0,0|2,0,0]=4 16268 B17R1.126298 CCOC(=O)CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100009814379 [0,1,0,1,0,0|2,0,0]=4 16269 B17R1.126298 CCOC(=O)CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009814379 [0,1,0,1,0,0|2,0,0]=4 16270 B17R1.23 CC1C(=O)NCCN1CCCCCCCCO 2230a_100000750721_100000033203 [0,1,0,1,0,0|2,0,0]=4 16271 B17R1.23 CC1C(=O)NCCN1CCCCCCCCO 269982a_100000750721_100000033203 [0,1,0,1,0,0|2,0,0]=4 16272 B17R1.23 CC1C(=O)NCCN1CCCCCCCCO 34a_100000750721_100000033203 [0,1,0,1,0,0|2,0,0]=4 16273 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100011214924 [0,1,0,1,0,0|1,0,0]=3 16274 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210670 [0,1,0,1,0,0|1,0,0]=3 16275 B17R1.23 CCCCCCCCCN1CCNC(=O)C1C 34a_100000750721_100011214924 [0,1,0,1,0,0|1,0,0]=3 16276 B17R1.4139 CCCCCCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210681 [0,1,0,1,0,0|2,0,0]=4 16277 B17R1.4139 CCCCCCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210681 [0,1,0,1,0,0|2,0,0]=4 16278 B17R1.4139 CCCCCCNC1CCC(C1)C(=O)OCC 270004a_100000210581_100000077466 [0,1,0,1,0,0|2,0,0]=4 16279 B17R1.5015 CCNC(=O)C(C)NCC1CCCCN1CC 2230a_100000754393_100000230173 [0,1,0,1,0,0|2,0,0]=4 16280 B17R1.5015 CCNC(=O)C(C)NCC1CCCCN1CC 34a_100000754393_100000230173 [0,1,0,1,0,0|2,0,0]=4 16281 B17R1.5015 CCNC(=O)C(C)OCC1CCCCN1CC 34a_100000225091_100000230173 [0,1,0,1,0,0|2,0,0]=4 16282 B17R1.5015 CCNC(=O)C(C)OCC1CCCCN1CC 7a_100000225091_100000230173 [0,1,0,1,0,0|2,0,0]=4 16283 B17R1.5024 CCNC(=O)C(=O)NCCCC1CCCCC1 1626a_100011211642_200011297158 [0,1,0,1,0,0|1,0,1]=4 16284 B17R1.5024 CCNC(=O)C(=O)NCCCC1CCCCC1 240690a_100011211642_200011297158 [0,1,0,1,0,0|1,0,1]=4 16285 B17R1.5024 CCNC(=O)C(=O)NCCCC1CCCCC1 527a_100011211642_200011297158 [0,1,0,1,0,0|1,0,1]=4 16286 B17R1.5024 CCNC(=O)C(C)NCCCC1CCCCC1 2230a_100000736553_100011713725 [0,1,0,1,0,0|1,0,0]=3 16287 B17R1.5024 CCNC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100000230173 [0,1,0,1,0,0|1,0,0]=3 16288 B17R1.5024 CCNC(=O)C(C)NCCCC1CCCCC1 34a_100000736553_100011713725 [0,1,0,1,0,0|1,0,0]=3 16289 B17R1.5024 CCNC(=O)C(C)NCCCC1CCCCC1 34a_100011211642_100000230173 [0,1,0,1,0,0|1,0,0]=3 16290 B17R1.5024 CCNC(=O)C(C)NCCCN1CCCCC1 2230a_100000736553_100000690320 [0,1,0,1,0,0|2,0,0]=4 16291 B17R1.5024 CCNC(=O)C(C)NCCCN1CCCCC1 34a_100000736553_100000690320 [0,1,0,1,0,0|2,0,0]=4 16292 B17R1.5024 CCNC(=O)C(C)NCCOC1CCCCC1 2230a_100000736553_100011211530 [0,1,0,1,0,0|2,0,0]=4 16293 B17R1.5024 CCNC(=O)C(C)NCCOC1CCCCC1 34a_100000736553_100011211530 [0,1,0,1,0,0|2,0,0]=4 16294 B17R1.5024 CCNC(=O)C(C)NCCOC1CCCCC1 34a_100015206981_100000230173 [0,1,0,1,0,0|2,0,0]=4 16295 B17R1.5024 CCNC(=O)C(C)OCCCC1CCCCC1 34a_100000198086_100000230173 [0,1,0,1,0,0|1,0,0]=3 16296 B17R1.5024 CCNC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000230173 [0,1,0,1,0,0|1,0,0]=3 16297 B17R1.5024 CCNC(=O)C(C)OCCCC1CCCCN1 34a_100011934581_100000230173 [0,1,0,1,0,0|2,0,0]=4 16298 B17R1.5024 CCNC(=O)C(C)OCCCC1CCCNC1 34a_100150707839_100000230173 [0,1,0,1,0,0|2,0,0]=4 16299 B17R1.5024 CCNC(=O)C(C)OCCCC1CCNCC1 34a_100016988962_100000230173 [0,1,0,1,0,0|2,0,0]=4 16300 B17R1.5024 CCNC(=O)C(C)OCCCN1CCCCC1 34a_100000212458_100000230173 [0,1,0,1,0,0|2,0,0]=4 16301 B17R1.5024 CCNC(=O)C(C)OCCNC1CCCCC1 34a_100000200466_100000230173 [0,1,0,1,0,0|2,0,0]=4 16302 B17R1.5024 CCNC(=O)C(C)OCCOC1CCCCC1 34a_100011249652_100000230173 [0,1,0,1,0,0|2,0,0]=4 16303 B17R1.5024 CCNC(=O)C(C)OCCOC1CCCCC1 7a_100011249652_100000230173 [0,1,0,1,0,0|2,0,0]=4 16304 B17R1.5024 CCNC(=O)C(C)SCCCC1CCCCC1 62a_100000230173_100011713725 [0,1,0,1,0,0|1,0,0]=3 16305 B17R1.5024 CCNC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100000230173 [0,1,0,1,0,0|1,0,0]=3 16306 B17R1.5024 CCNC(=O)C(C)SCCCN1CCCCC1 62a_100000230173_100000007876 [0,1,0,1,0,0|2,0,0]=4 16307 B17R1.5024 CCNC(=O)C(C)SCCCN1CCCCC1 62a_100132302099_100000230173 [0,1,0,1,0,0|2,0,0]=4 16308 B17R1.5024 CCNC(=O)C(C)SCCOC1CCCCC1 62a_100000230173_100011211530 [0,1,0,1,0,0|2,0,0]=4 16309 B17R1.5024 CCNC(=O)C(C)SCCOC1CCCCC1 62a_100011211530_100000230173 [0,1,0,1,0,0|2,0,0]=4 16310 B17R1.5024 CCOC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100011215307 [0,1,0,1,0,0|2,0,0]=4 16311 B17R1.5024 CCOC(=O)C(C)NCCCC1CCCCC1 34a_100011211642_100011216346 [0,1,0,1,0,0|2,0,0]=4 16312 B17R1.5024 CCOC(=O)C(C)OCCCC1CCCCC1 34a_100000198086_100011216346 [0,1,0,1,0,0|2,0,0]=4 16313 B17R1.5024 CCOC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100011216346 [0,1,0,1,0,0|2,0,0]=4 16314 B17R1.5024 CCOC(=O)C(C)SCCCC1CCCCC1 62a_100011216346_100011713725 [0,1,0,1,0,0|2,0,0]=4 16315 B17R1.5024 CCOC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100011216346 [0,1,0,1,0,0|2,0,0]=4 16316 B17R1.5024 CCOC(=O)C(F)NCCCC1CCCCC1 2230a_100011211642_100000760018 [0,1,0,1,0,0|2,0,0]=4 16317 B17R1.5024 CCOC(=O)C(F)NCCCC1CCCCC1 34a_100011211642_100000760018 [0,1,0,1,0,0|2,0,0]=4 16318 B17R1.5024 CCOC(=O)C(F)OCCCC1CCCCC1 34a_100000198086_100000760018 [0,1,0,1,0,0|2,0,0]=4 16319 B17R1.5024 CCOC(=O)C(F)OCCCC1CCCCC1 7a_100000198086_100000040065 [0,1,0,1,0,0|2,0,0]=4 16320 B17R1.5024 CCOC(=O)C(F)SCCCC1CCCCC1 62a_100000760018_100011713725 [0,1,0,1,0,0|2,0,0]=4 16321 B17R1.5024 CCOC(=O)C(F)SCCCC1CCCCC1 62a_100011713725_100000760018 [0,1,0,1,0,0|2,0,0]=4 16322 B17R1.5024 CCOC(=O)[C@H](C)OCCCC1CCCCC1 7a_100000751109_100011713725 [0,1,0,1,0,0|2,0,0]=4 16323 B17R1.5024 CCSC(=O)[C@H](C)NCCCC1CCCCC1 2230a_100103168634_100011713725 [0,1,0,1,0,0|2,0,0]=4 16324 B17R1.5041 CCNC(=O)C(C)NCCCOC1CCCC1 34a_100000747560_100000230173 [0,1,0,1,0,0|2,0,0]=4 16325 B17R1.5672 CCNC(=O)C(C)NCCC1CCCCN1C 2230a_100000736553_100000211948 [0,1,0,1,0,0|2,0,0]=4 16326 B17R1.5672 CCNC(=O)C(C)NCCC1CCCCN1C 34a_100000736553_100000211948 [0,1,0,1,0,0|2,0,0]=4 16327 B17R1.5672 CCNC(=O)C(C)NCCN1CCCCC1C 2230a_100000739827_100000230173 [0,1,0,1,0,0|2,0,0]=4 16328 B17R1.5672 CCNC(=O)C(C)NCCN1CCCCC1C 34a_100000739827_100000230173 [0,1,0,1,0,0|2,0,0]=4 16329 B17R1.5672 CCNC(=O)C(C)OCCN1CCCCC1C 34a_100011305533_100000230173 [0,1,0,1,0,0|2,0,0]=4 16330 B17R1.5672 CCNC(=O)C(C)SCCC1CCCCN1C 62a_100000211948_100000230173 [0,1,0,1,0,0|2,0,0]=4 16331 B17R1.5672 CCNC(=O)C(C)SCCC1CCCCN1C 62a_100000230173_100000211948 [0,1,0,1,0,0|2,0,0]=4 16332 B17R1.18105 CCCC1CCCCC1NC(C)C(=O)NCC 270004a_100000736553_100011218038 [0,1,0,1,0,0|1,0,0]=3 16333 B17R1.18105 CCCC1CCCCC1OC(C)C(=O)NCC 34a_100011217265_100000230173 [0,1,0,1,0,0|1,0,0]=3 16334 B17R1.18105 CCCC1CCCCC1OC(C)C(=O)NCC 7a_100011217265_100000230173 [0,1,0,1,0,0|1,0,0]=3 16335 B17R1.18105 CCCC1CCCCC1OC(C)C(=O)OCC 34a_100011217265_100011216346 [0,1,0,1,0,0|2,0,0]=4 16336 B17R1.18105 CCCC1CCCCC1OC(C)C(=O)OCC 7a_100011217265_100011216346 [0,1,0,1,0,0|2,0,0]=4 16337 B17R1.18105 CCCC1CCCCC1OC(F)C(=O)OCC 34a_100011217265_100000760018 [0,1,0,1,0,0|2,0,0]=4 16338 B17R1.18105 CCCC1CCCCC1OC(F)C(=O)OCC 7a_100011217265_100000040065 [0,1,0,1,0,0|2,0,0]=4 16339 B17R1.18105 CCNC(=O)C(C)NC1CCCCC1OCC 270004a_100000736553_200000031474 [0,1,0,1,0,0|2,0,0]=4 16340 B17R1.18421 CCCN1CCCC1COC(C)C(=O)NCC 34a_200000694710_100000230173 [0,1,0,1,0,0|2,0,0]=4 16341 B17R1.18421 CCCN1CCCC1COC(C)C(=O)NCC 7a_200000694710_100000230173 [0,1,0,1,0,0|2,0,0]=4 16342 B17R1.25874 CCNC(=O)C(C)N1CCCCC1CCCO 2230a_100011934581_100000230173 [0,1,0,1,0,0|2,0,0]=4 16343 B17R1.25874 CCNC(=O)C(C)N1CCCCC1CCCO 269982a_100011934581_100000230173 [0,1,0,1,0,0|2,0,0]=4 16344 B17R1.25874 CCNC(=O)C(C)N1CCCCC1CCCO 34a_100011934581_100000230173 [0,1,0,1,0,0|2,0,0]=4 16345 B17R1.25874 CCNC(=O)C(C)N1CCCCC1CCOC 2230a_100015186528_100000230173 [0,1,0,1,0,0|2,0,0]=4 16346 B17R1.25874 CCNC(=O)C(C)N1CCCCC1CCOC 269982a_100015186528_100000230173 [0,1,0,1,0,0|2,0,0]=4 16347 B17R1.25874 CCNC(=O)C(C)N1CCCCC1CCOC 34a_100015186528_100000230173 [0,1,0,1,0,0|2,0,0]=4 16348 B17R1.26077 CCCCC1CCCC1NC(C)C(=O)NCC 270004a_100000736553_100000750825 [0,1,0,1,0,0|1,0,0]=3 16349 B17R1.34669 CCCCCCCCCCN(C)C(=O)C1CC1 11a_100000207566_100000210395 [0,1,0,1,0,0|2,0,0]=4 16350 B17R1.34669 CCCCCCCCCCN(C)C(=O)C1CC1 1626a_100000207566_100000210395 [0,1,0,1,0,0|2,0,0]=4 16351 B17R1.34669 CCCCCCCCCCN(C)C(=O)C1CC1 240690a_100000207566_100000210395 [0,1,0,1,0,0|2,0,0]=4 16352 B17R1.34669 CCCCCCCCCCN(C)C(=O)C1CC1 527a_100000207566_100000210395 [0,1,0,1,0,0|2,0,0]=4 16353 B17R1.39723 CCNC(=O)C(C)OCC1CCCCCCC1 34a_100011216312_100000230173 [0,1,0,1,0,0|1,0,0]=3 16354 B17R1.39723 CCNC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000230173 [0,1,0,1,0,0|1,0,0]=3 16355 B17R1.39723 CCOC(=O)C(C)OCC1CCCCCCC1 34a_100011216312_100011216346 [0,1,0,1,0,0|2,0,0]=4 16356 B17R1.39723 CCOC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100011216346 [0,1,0,1,0,0|2,0,0]=4 16357 B17R1.39723 CCOC(=O)C(F)OCC1CCCCCCC1 34a_100011216312_100000760018 [0,1,0,1,0,0|2,0,0]=4 16358 B17R1.39723 CCOC(=O)C(F)OCC1CCCCCCC1 7a_100011216312_100000040065 [0,1,0,1,0,0|2,0,0]=4 16359 B17R1.40037 CCNC(=O)C(C)NC1CCCCCCCC1 270004a_100000736553_100000038600 [0,1,0,1,0,0|1,0,0]=3 16360 B17R1.43089 CCNC(=O)C(=O)NCCC1CCCCCC1 1626a_100011532351_200011297158 [0,1,0,1,0,0|1,0,1]=4 16361 B17R1.43089 CCNC(=O)C(=O)NCCC1CCCCCC1 240690a_100011532351_200011297158 [0,1,0,1,0,0|1,0,1]=4 16362 B17R1.43089 CCNC(=O)C(=O)NCCC1CCCCCC1 527a_100011532351_200011297158 [0,1,0,1,0,0|1,0,1]=4 16363 B17R1.43089 CCNC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100000230173 [0,1,0,1,0,0|1,0,0]=3 16364 B17R1.43089 CCNC(=O)C(C)NCCC1CCCCCC1 34a_100011532351_100000230173 [0,1,0,1,0,0|1,0,0]=3 16365 B17R1.43089 CCNC(=O)C(C)OCCN1CCCCCC1 34a_100000238007_100000230173 [0,1,0,1,0,0|2,0,0]=4 16366 B17R1.43089 CCNC(=O)C(C)SCCN1CCCCCC1 62a_100000230173_100000722644 [0,1,0,1,0,0|2,0,0]=4 16367 B17R1.43089 CCNC(=O)C(C)SCCN1CCCCCC1 62a_100000722644_100000230173 [0,1,0,1,0,0|2,0,0]=4 16368 B17R1.43089 CCNC(=O)N(C)CCCN1CCCCCC1 2708a_100015525214_200000231118 [0,1,0,1,0,0|2,0,0]=4 16369 B17R1.43089 CCNC(=O)N(C)CCCN1CCCCCC1 273464a_100015525214_200000231118 [0,1,0,1,0,0|2,0,0]=4 16370 B17R1.43089 CCOC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100011215307 [0,1,0,1,0,0|2,0,0]=4 16371 B17R1.43089 CCOC(=O)C(C)NCCC1CCCCCC1 34a_100011532351_100011216346 [0,1,0,1,0,0|2,0,0]=4 16372 B17R1.43089 CCOC(=O)C(F)NCCC1CCCCCC1 2230a_100011532351_100000760018 [0,1,0,1,0,0|2,0,0]=4 16373 B17R1.43089 CCOC(=O)C(F)NCCC1CCCCCC1 34a_100011532351_100000760018 [0,1,0,1,0,0|2,0,0]=4 16374 B17R1.745 CCCCCCCC(=O)CN1CCNC(=O)C1 1458a_100025771038_100000210614 [0,1,0,1,0,0|1,0,1]=4 16375 B17R1.745 CCCCCCCC(=O)NC1CCNC(=O)C1 11a_100016994916_100000211969 [0,1,0,1,0,0|1,0,1]=4 16376 B17R1.745 CCCCCCCC(=O)NC1CCNC(=O)C1 1626a_100016994916_100000211969 [0,1,0,1,0,0|1,0,1]=4 16377 B17R1.745 CCCCCCCC(=O)NC1CCNC(=O)C1 240690a_100016994916_100000211969 [0,1,0,1,0,0|1,0,1]=4 16378 B17R1.745 CCCCCCCC(=O)NC1CCNC(=O)C1 527a_100016994916_100000211969 [0,1,0,1,0,0|1,0,1]=4 16379 B17R1.745 CCCCCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011218727 [0,1,0,1,0,0|1,0,0]=3 16380 B17R1.745 CCCCCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011218727 [0,1,0,1,0,0|1,0,0]=3 16381 B17R1.745 CCCCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218727 [0,1,0,1,0,0|2,0,0]=4 16382 B17R1.745 CCCCCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011218727 [0,1,0,1,0,0|1,0,0]=3 16383 B17R1.992 CCNC(=O)CCCC(=O)CCC1CCCC1 1458a_100000199580_100000760354 [0,1,0,1,0,0|0,0,1]=3 16384 B17R1.992 CCNC(=O)CCCC(=O)CCN1CCCC1 1458a_100000199580_100000004467 [0,1,0,1,0,0|1,0,1]=4 16385 B17R1.992 CCNC(=O)CCCC(=O)NCC1CCCC1 11a_100000737975_100000199580 [0,1,0,1,0,0|1,0,1]=4 16386 B17R1.992 CCNC(=O)CCCC(=O)NCC1CCCC1 1626a_100000737975_100000199580 [0,1,0,1,0,0|1,0,1]=4 16387 B17R1.992 CCNC(=O)CCCC(=O)NCC1CCCC1 240690a_100000737975_100000199580 [0,1,0,1,0,0|1,0,1]=4 16388 B17R1.992 CCNC(=O)CCCC(=O)NCC1CCCC1 527a_100000737975_100000199580 [0,1,0,1,0,0|1,0,1]=4 16389 B17R1.992 CCNC(=O)CCNC(=O)CCC1CCCC1 11a_100025743525_100000211120 [0,1,0,1,0,0|1,0,1]=4 16390 B17R1.992 CCNC(=O)CCNC(=O)CCC1CCCC1 1626a_100025743525_100000211120 [0,1,0,1,0,0|1,0,1]=4 16391 B17R1.992 CCNC(=O)CCNC(=O)CCC1CCCC1 240690a_100025743525_100000211120 [0,1,0,1,0,0|1,0,1]=4 16392 B17R1.992 CCNC(=O)CCNC(=O)CCC1CCCC1 527a_100025743525_100000211120 [0,1,0,1,0,0|1,0,1]=4 16393 B17R1.992 CCOC(=O)CCCC(=O)CCC1CCCC1 1458a_100000210991_100000760354 [0,1,0,1,0,0|1,0,1]=4 16394 B17R1.992 CCOC(=O)CCCC(=O)CCC1CCCC1 1458a_100000211120_100011215271 [0,1,0,1,0,0|1,0,1]=4 16395 B17R1.1650 CCNC(=O)CCCC(=O)CC1CCCCC1 1458a_100000199580_100000211423 [0,1,0,1,0,0|0,0,1]=3 16396 B17R1.1650 CCNC(=O)CCCC(=O)CC1CCCCO1 1458a_100000199580_100000211543 [0,1,0,1,0,0|1,0,1]=4 16397 B17R1.1650 CCNC(=O)CCCC(=O)CC1CCCOC1 1458a_100000199580_100000741521 [0,1,0,1,0,0|1,0,1]=4 16398 B17R1.1650 CCNC(=O)CCCC(=O)CC1CCOCC1 1458a_100000199580_100000754603 [0,1,0,1,0,0|1,0,1]=4 16399 B17R1.1650 CCNC(=O)CCCC(=O)NC1CCCCC1 11a_100000182618_100000199580 [0,1,0,1,0,0|1,0,1]=4 16400 B17R1.1650 CCNC(=O)CCCC(=O)NC1CCCCC1 1626a_100000182618_100000199580 [0,1,0,1,0,0|1,0,1]=4 16401 B17R1.1650 CCNC(=O)CCCC(=O)NC1CCCCC1 240690a_100000182618_100000199580 [0,1,0,1,0,0|1,0,1]=4 16402 B17R1.1650 CCNC(=O)CCCC(=O)NC1CCCCC1 527a_100000182618_100000199580 [0,1,0,1,0,0|1,0,1]=4 16403 B17R1.1650 CCNC(=O)CCNC(=O)CC1CCCCC1 11a_100025743525_100000211666 [0,1,0,1,0,0|1,0,1]=4 16404 B17R1.1650 CCNC(=O)CCNC(=O)CC1CCCCC1 1626a_100025743525_100000211666 [0,1,0,1,0,0|1,0,1]=4 16405 B17R1.1650 CCNC(=O)CCNC(=O)CC1CCCCC1 240690a_100025743525_100000211666 [0,1,0,1,0,0|1,0,1]=4 16406 B17R1.1650 CCNC(=O)CCNC(=O)CC1CCCCC1 527a_100025743525_100000211666 [0,1,0,1,0,0|1,0,1]=4 16407 B17R1.1650 CCNC(=O)CCNC(C)CC1CCCCC1 270004a_100025743525_100011215996 [0,1,0,1,0,0|1,0,0]=3 16408 B17R1.1650 CCNC(=O)CCNC(C)CN1CCCCC1 2230a_100000738326_100000737597 [0,1,0,1,0,0|2,0,0]=4 16409 B17R1.1650 CCNC(=O)CCSC(C)CN1CCCCC1 62a_100000737597_100009831500 [0,1,0,1,0,0|2,0,0]=4 16410 B17R1.1650 CCNC(=O)CCSC(C)CN1CCCCC1 62a_100009831500_100000737597 [0,1,0,1,0,0|2,0,0]=4 16411 B17R1.1650 CCNC(=O)CNC[C@H](O)CN1CCCCC1 2230a_100015205997_100000183381 [0,1,0,1,0,0|2,0,0]=4 16412 B17R1.1650 CCNC(=O)COCC(C)CN1CCCCC1 34a_200011934647_100000183381 [0,1,0,1,0,0|2,0,0]=4 16413 B17R1.1650 CCNC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_100000183381 [0,1,0,1,0,0|1,0,0]=3 16414 B17R1.1650 CCOC(=O)CCCC(=O)CC1CCCCC1 1458a_100000210991_100000211423 [0,1,0,1,0,0|1,0,1]=4 16415 B17R1.1650 CCOC(=O)CCCC(=O)CC1CCCCC1 1458a_100000211666_100011215271 [0,1,0,1,0,0|1,0,1]=4 16416 B17R1.1650 CCOC(=O)CCCN(C)CC1CCCCC1 2230a_100000736448_100009991533 [0,1,0,1,0,0|2,0,0]=4 16417 B17R1.1650 CCOC(=O)CCCN(C)CC1CCCCC1 269982a_100000736448_100009991533 [0,1,0,1,0,0|2,0,0]=4 16418 B17R1.1650 CCOC(=O)CCCN(C)CC1CCCCC1 34a_100000736448_100009991533 [0,1,0,1,0,0|2,0,0]=4 16419 B17R1.1650 CCOC(=O)COC[C@@H](N)CC1CCCCC1 34a_100015184289_100000188475 [0,1,0,1,0,0|2,0,0]=4 16420 B17R1.1650 N[C@H](COCC(=O)NCO)CC1CCCCC1 34a_100015184289_100000185155 [0,1,0,1,0,0|2,0,0]=4 16421 B17R1.9246 CCCCCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210614 [0,1,0,1,0,0|1,0,1]=4 16422 B17R1.9246 CCCCCCCC(=O)CCN1CCNC1=O 1458a_100000211969_100000090651 [0,1,0,1,0,0|1,0,1]=4 16423 B17R1.9246 CCCCCCCC(C)OCC1CCNC1=O 34a_100000133458_200011218727 [0,1,0,1,0,0|1,0,0]=3 16424 B17R1.9246 CCCCCCCN(C)CCN1CCNC1=O 2230a_100000228206_100000090651 [0,1,0,1,0,0|2,0,0]=4 16425 B17R1.9246 CCCCCCCN(C)CCN1CCNC1=O 269982a_100000228206_100000090651 [0,1,0,1,0,0|2,0,0]=4 16426 B17R1.21452 CCNC(=O)CCCC(=O)N1CCCCC1C 11a_100000211376_100000199580 [0,1,0,1,0,0|1,0,1]=4 16427 B17R1.21452 CCNC(=O)CCCC(=O)N1CCCCC1C 1626a_100000211376_100000199580 [0,1,0,1,0,0|1,0,1]=4 16428 B17R1.21452 CCNC(=O)CCCC(=O)N1CCCCC1C 240690a_100000211376_100000199580 [0,1,0,1,0,0|1,0,1]=4 16429 B17R1.21452 CCNC(=O)CCCC(=O)N1CCCCC1C 527a_100000211376_100000199580 [0,1,0,1,0,0|1,0,1]=4 16430 B17R1.21452 CCNC(=O)CCNC(=O)C1CCCCC1C 11a_100025743525_100011215568 [0,1,0,1,0,0|1,0,1]=4 16431 B17R1.21452 CCNC(=O)CCNC(=O)C1CCCCC1C 1626a_100025743525_100011215568 [0,1,0,1,0,0|1,0,1]=4 16432 B17R1.21452 CCNC(=O)CCNC(=O)C1CCCCC1C 240690a_100025743525_100011215568 [0,1,0,1,0,0|1,0,1]=4 16433 B17R1.21452 CCNC(=O)CCNC(=O)C1CCCCC1C 527a_100025743525_100011215568 [0,1,0,1,0,0|1,0,1]=4 16434 B17R1.21452 CCNC(=O)COCC(C)N1CCCCC1C 34a_200011934825_100000183381 [0,1,0,1,0,0|2,0,0]=4 16435 B17R1.21452 CCNC(=O)COCC(C)N1CCCCC1C 7a_200011934825_100000183381 [0,1,0,1,0,0|2,0,0]=4 16436 B17R1.21452 CCOC(=O)CCCC(=O)C1CCCCC1C 1458a_100011215568_100011215271 [0,1,0,1,0,0|1,0,1]=4 16437 B17R1.21458 CCNC(=O)CCCC(=O)N1CCCC1CC 11a_100000754278_100000199580 [0,1,0,1,0,0|1,0,1]=4 16438 B17R1.21458 CCNC(=O)CCCC(=O)N1CCCC1CC 1626a_100000754278_100000199580 [0,1,0,1,0,0|1,0,1]=4 16439 B17R1.21458 CCNC(=O)CCCC(=O)N1CCCC1CC 240690a_100000754278_100000199580 [0,1,0,1,0,0|1,0,1]=4 16440 B17R1.21458 CCNC(=O)CCCC(=O)N1CCCC1CC 527a_100000754278_100000199580 [0,1,0,1,0,0|1,0,1]=4 16441 B17R1.66796 CCCCCCCC(=O)N1CCNC(=O)CC1 11a_100000698595_100000211969 [0,1,0,1,0,0|1,0,1]=4 16442 B17R1.66796 CCCCCCCC(=O)N1CCNC(=O)CC1 1626a_100000698595_100000211969 [0,1,0,1,0,0|1,0,1]=4 16443 B17R1.66796 CCCCCCCC(=O)N1CCNC(=O)CC1 240690a_100000698595_100000211969 [0,1,0,1,0,0|1,0,1]=4 16444 B17R1.66796 CCCCCCCC(=O)N1CCNC(=O)CC1 527a_100000698595_100000211969 [0,1,0,1,0,0|1,0,1]=4 16445 B17R1.66796 CCCCCCCC(C)N1CCNC(=O)CC1 2230a_100000698595_200011218727 [0,1,0,1,0,0|1,0,0]=3 16446 B17R1.66796 CCCCCCCC(C)N1CCNC(=O)CC1 269982a_100000698595_200011218727 [0,1,0,1,0,0|1,0,0]=3 16447 B17R1.66796 CCCCCCCC(C)N1CCNC(=O)CC1 270004a_100000698595_100000210596 [0,1,0,1,0,0|1,0,0]=3 16448 B17R1.66852 CCCCCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210614 [0,1,0,1,0,0|1,0,1]=4 16449 B17R1.126607 CCNC(=O)CCCC(=O)C1CCCCCC1 1458a_100000199580_100011217769 [0,1,0,1,0,0|0,0,1]=3 16450 B17R1.126607 CCNC(=O)CCCC(=O)N1CCCCCC1 11a_100000185865_100000199580 [0,1,0,1,0,0|1,0,1]=4 16451 B17R1.126607 CCNC(=O)CCCC(=O)N1CCCCCC1 1626a_100000185865_100000199580 [0,1,0,1,0,0|1,0,1]=4 16452 B17R1.126607 CCNC(=O)CCCC(=O)N1CCCCCC1 240690a_100000185865_100000199580 [0,1,0,1,0,0|1,0,1]=4 16453 B17R1.126607 CCNC(=O)CCCC(=O)N1CCCCCC1 527a_100000185865_100000199580 [0,1,0,1,0,0|1,0,1]=4 16454 B17R1.126607 CCNC(=O)CCNC(=O)C1CCCCCC1 11a_100025743525_100000749507 [0,1,0,1,0,0|1,0,1]=4 16455 B17R1.126607 CCNC(=O)CCNC(=O)C1CCCCCC1 1626a_100025743525_100000749507 [0,1,0,1,0,0|1,0,1]=4 16456 B17R1.126607 CCNC(=O)CCNC(=O)C1CCCCCC1 240690a_100025743525_100000749507 [0,1,0,1,0,0|1,0,1]=4 16457 B17R1.126607 CCNC(=O)CCNC(=O)C1CCCCCC1 527a_100025743525_100000749507 [0,1,0,1,0,0|1,0,1]=4 16458 B17R1.126607 CCOC(=O)CCCC(=O)C1CCCCCC1 1458a_100000210991_100011217769 [0,1,0,1,0,0|1,0,1]=4 16459 B17R1.126607 CCOC(=O)CCCC(=O)C1CCCCCC1 1458a_100000749507_100011215271 [0,1,0,1,0,0|1,0,1]=4 16460 B17R1.126607 CCOC(=O)CCCN(C)C1CCCCCC1 2230a_100015185097_100009991533 [0,1,0,1,0,0|2,0,0]=4 16461 B17R1.126607 CCOC(=O)CCCN(C)C1CCCCCC1 269982a_100015185097_100009991533 [0,1,0,1,0,0|2,0,0]=4 16462 B17R1.126607 CCOC(=O)CCCN(C)C1CCCCCC1 34a_100015185097_100009991533 [0,1,0,1,0,0|2,0,0]=4 16463 B17R2.86 CCCC1CCCCC1N2CCNC(=O)C2 270004a_100000184651_100011218038 [0,0,0,2,0,0|1,0,0]=3 16464 B17R2.86 CCCC1CCCCC1N2CCOC(=O)C2 270004a_100000131268_100011218038 [0,0,0,2,0,0|2,0,0]=4 16465 B17R2.86 CCOC1CCCCC1N2CCNC(=O)C2 270004a_100000184651_200000031474 [0,0,0,2,0,0|2,0,0]=4 16466 B17R2.91 CCCC1CCCC1NC2CCNC(=O)C2 269862a_100016994916_100000723119 [0,0,0,2,0,0|1,0,0]=3 16467 B17R2.261 CCC1CCCCC1NC2CCNC(=O)C2 269862a_100016994916_100000757040 [0,0,0,2,0,0|1,0,0]=3 16468 B17R2.2485 CCCCC1CCCC1N2CCNC(=O)C2 270004a_100000184651_100000750825 [0,0,0,2,0,0|1,0,0]=3 16469 B17R2.2485 CCCCC1CCCC1N2CCOC(=O)C2 270004a_100000131268_100000750825 [0,0,0,2,0,0|2,0,0]=4 16470 B17R2.3366 O=C1CC(CCN1)COCCC2CCCC2 34a_100009886756_100000760354 [0,0,0,2,0,0|1,0,0]=3 16471 B17R2.3366 O=C1CC(CCN1)NCCCC2CCCC2 2230a_100016994916_100011713738 [0,0,0,2,0,0|1,0,0]=3 16472 B17R2.3366 O=C1CC(CCN1)NCCCC2CCCC2 34a_100016994916_100011713738 [0,0,0,2,0,0|1,0,0]=3 16473 B17R2.3366 O=C1CC(CCN1)NCCCN2CCCC2 2230a_100016994916_100011445909 [0,0,0,2,0,0|2,0,0]=4 16474 B17R2.3366 O=C1CC(CCN1)NCCCN2CCCC2 34a_100016994916_100016991639 [0,0,0,2,0,0|2,0,0]=4 16475 B17R2.3366 O=C1CCCC(C1)OCCCC2CCCC2 34a_100012613340_100011713738 [0,0,0,2,0,0|2,0,0]=4 16476 B17R2.3366 O=C1CN(CCN1)CCCNC2CCCC2 2230a_100000757908_100000179811 [0,0,0,2,0,0|2,0,0]=4 16477 B17R2.3366 O=C1CN(CCN1)CCCNC2CCCC2 270004a_100000757908_100000210133 [0,0,0,2,0,0|2,0,0]=4 16478 B17R2.3366 O=C1C[C@@H](CCN1)OCCCC2CCCC2 34a_100015189427_100011713738 [0,0,0,2,0,0|1,0,0]=3 16479 B17R2.3366 O=C1C[C@@H](CCN1)OCCCN2CCCC2 34a_100015189427_100016991639 [0,0,0,2,0,0|2,0,0]=4 16480 B17R2.3373 CN1CCCC1CCNC2CCNC(=O)C2 2230a_100016994916_100000005710 [0,0,0,2,0,0|2,0,0]=4 16481 B17R2.3373 CN1CCCC1CCNC2CCNC(=O)C2 34a_100016994916_100000005710 [0,0,0,2,0,0|2,0,0]=4 16482 B17R2.3373 CN1CCCC1CCO[C@@H]2CCNC(=O)C2 34a_100015189427_100000005710 [0,0,0,2,0,0|2,0,0]=4 16483 B17R2.5301 O=C1CC(CCN1)COCC2CCCCC2 34a_100009886756_100000211423 [0,0,0,2,0,0|1,0,0]=3 16484 B17R2.5301 O=C1CC(CCN1)COCC2CCCCO2 34a_100009886756_100000211543 [0,0,0,2,0,0|2,0,0]=4 16485 B17R2.5301 O=C1CC(CCN1)COCC2CCCOC2 34a_100009886756_100000741521 [0,0,0,2,0,0|2,0,0]=4 16486 B17R2.5301 O=C1CC(CCN1)COCC2CCOCC2 34a_100009886756_100000754603 [0,0,0,2,0,0|2,0,0]=4 16487 B17R2.5301 O=C1CC(CCN1)NCCC2CCCCC2 2230a_100016994916_100012355289 [0,0,0,2,0,0|1,0,0]=3 16488 B17R2.5301 O=C1CC(CCN1)NCCC2CCCCC2 34a_100016994916_100011209188 [0,0,0,2,0,0|1,0,0]=3 16489 B17R2.5301 O=C1CC(CCN1)NCCC2CCOCC2 2230a_100016994916_100011934994 [0,0,0,2,0,0|2,0,0]=4 16490 B17R2.5301 O=C1CC(CCN1)NCCC2CCOCC2 34a_100016994916_100011934994 [0,0,0,2,0,0|2,0,0]=4 16491 B17R2.5301 O=C1CC(CCN1)NCCN2CCCCC2 2230a_100016994916_100000739454 [0,0,0,2,0,0|2,0,0]=4 16492 B17R2.5301 O=C1CC(CCN1)NCCN2CCCCC2 34a_100016994916_100000739454 [0,0,0,2,0,0|2,0,0]=4 16493 B17R2.5301 O=C1CC(CCN1)NCOC2CCCCC2 2230a_100016994916_100011935260 [0,0,0,2,0,0|2,0,0]=4 16494 B17R2.5301 O=C1CC(CCN1)NCOC2CCCCC2 34a_100016994916_100011935260 [0,0,0,2,0,0|2,0,0]=4 16495 B17R2.5301 O=C1CCCC(C1)OCCC2CCCCC2 34a_100012613340_100011209188 [0,0,0,2,0,0|2,0,0]=4 16496 B17R2.5301 O=C1CN(CCN1)CCCC2CCCCC2 2230a_100000184651_100011713725 [0,0,0,2,0,0|1,0,0]=3 16497 B17R2.5301 O=C1CN(CCN1)CCCN2CCCCC2 2230a_100000184651_100000690320 [0,0,0,2,0,0|2,0,0]=4 16498 B17R2.5301 O=C1CN(CCN1)CCOC2CCCCC2 2230a_100000184651_100011211530 [0,0,0,2,0,0|2,0,0]=4 16499 B17R2.5301 O=C1CN(CCO1)CCCC2CCCCC2 2230a_100000131268_100011713725 [0,0,0,2,0,0|2,0,0]=4 16500 B17R2.5301 O=C1C[C@@H](CCN1)OCCC2CCCCC2 34a_100015189427_100011209188 [0,0,0,2,0,0|1,0,0]=3 16501 B17R2.5301 O=C1C[C@@H](CCN1)OCCC2CCOCC2 34a_100015189427_100011934994 [0,0,0,2,0,0|2,0,0]=4 16502 B17R2.5301 O=C1C[C@@H](CCN1)OCCN2CCCCC2 34a_100015189427_100000739454 [0,0,0,2,0,0|2,0,0]=4 16503 B17R2.5301 O=C1C[C@@H](CCN1)OCOC2CCCCC2 34a_100015189427_100011935260 [0,0,0,2,0,0|2,0,0]=4 16504 B17R2.19530 O=C1CC(CCN1)COC2CCCCCC2 34a_100009886756_100011217769 [0,0,0,2,0,0|1,0,0]=3 16505 B17R2.19530 O=C1CC(CCN1)NCC2CCCCCC2 2230a_100016994916_200000696569 [0,0,0,2,0,0|1,0,0]=3 16506 B17R2.19530 O=C1CC(CCN1)NCC2CCCCCC2 269862a_100016994916_200000763224 [0,0,0,2,0,0|1,0,0]=3 16507 B17R2.19530 O=C1CC(CCN1)NCC2CCCCCC2 34a_100016994916_200000696569 [0,0,0,2,0,0|1,0,0]=3 16508 B17R2.19530 O=C1CCCC(C1)OCC2CCCCCC2 34a_100012613340_200000696569 [0,0,0,2,0,0|2,0,0]=4 16509 B17R2.19530 O=C1C[C@@H](CCN1)OCC2CCCCCC2 34a_100015189427_200000696569 [0,0,0,2,0,0|1,0,0]=3 16510 B17R2.19565 O=C1CN(CCN1)C2CCCCCCCC2 270004a_100000184651_100000038600 [0,0,0,2,0,0|1,0,0]=3 16511 B17R2.19565 O=C1CN(CCO1)C2CCCCCCCC2 270004a_100000131268_100000038600 [0,0,0,2,0,0|2,0,0]=4 16512 B17R2.19598 O=C1CN(CCN1)CCCNCCC2CC2 2230a_100000757908_100000694398 [0,0,0,2,0,0|2,0,0]=4 16513 B17R2.41893 CN1CCCCC1CCN2CCNC(=O)C2 2230a_100000184651_100000211948 [0,0,0,2,0,0|2,0,0]=4 16514 B17R2.41893 CN1CCCCC1CNC2CCNC(=O)C2 34a_100016994916_100015186950 [0,0,0,2,0,0|2,0,0]=4 16515 B17R2.41893 CN1CCCCC1CO[C@@H]2CCNC(=O)C2 34a_100015189427_100015186950 [0,0,0,2,0,0|2,0,0]=4 16516 B17R2.41893 O=C1CC(CCN1)COC2CCCCC2F 34a_100009886756_100015423560 [0,0,0,2,0,0|2,0,0]=4 16517 B17R2.41893 O=C1CC(CCN1)COC2CCCCC2O 34a_100009886756_100000038908 [0,0,0,2,0,0|2,0,0]=4 16518 B17R2.150334 O=C1CN(CCN1)CCCNCC2CCC2 2230a_100000757908_100000763275 [0,0,0,2,0,0|2,0,0]=4 16519 B17R2.150334 O=C1CN(CCN1)CCCNCC2CCC2 269862a_100000757908_100000753134 [0,0,0,2,0,0|2,0,0]=4 16520 B17R2.4343 CCCC1CCCCC1OCC2=NCCN2 34a_100011217265_100000737910 [0,0,0,2,0,0|2,0,0]=4 16521 B17R2.4343 CCCC1CCCCC1OCC2=NCCN2 7a_100011217265_100000737910 [0,0,0,2,0,0|2,0,0]=4 16522 B17R2.5890 CCCC1CCCCC1NC2CCNC2=O 270004a_100016995588_100011218038 [0,0,0,2,0,0|1,0,0]=3 16523 B17R2.5890 CCCC1CCCCC1N[C@@H]2CONC2=O 270004a_100000765999_100011218038 [0,0,0,2,0,0|2,0,0]=4 16524 B17R2.5890 CCCC1CCCCC1OC2CCCC2=O 34a_100011217265_100000709159 [0,0,0,2,0,0|2,0,0]=4 16525 B17R2.5890 CCCC1CCCCC1OC2CCCC2=O 7a_100011217265_100000211823 [0,0,0,2,0,0|2,0,0]=4 16526 B17R2.5890 CCCC1CCCCC1OC2CCOC2=O 34a_100011217265_100000211211 [0,0,0,2,0,0|2,0,0]=4 16527 B17R2.5890 CCCC1CCCCC1OC2CCOC2=O 7a_100011217265_100000211211 [0,0,0,2,0,0|2,0,0]=4 16528 B17R2.5890 CCOC1CCCCC1NC2CCNC2=O 270004a_100016995588_200000031474 [0,0,0,2,0,0|2,0,0]=4 16529 B17R2.47042 CCCC1CCCCC1OCC(=O)C2CC2 34a_100011217265_100000746382 [0,0,0,2,0,0|2,0,0]=4 16530 B17R2.47042 CCCC1CCCCC1OCC(=O)C2CC2 7a_100011217265_100000746382 [0,0,0,2,0,0|2,0,0]=4 16531 B17R2.322318 CCCC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000747444 [0,0,0,2,0,0|2,0,0]=4 16532 B17R2.322318 CCCC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000747444 [0,0,0,2,0,0|2,0,0]=4 16533 B17R2.322318 CCNC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000183381 [0,0,0,2,0,0|1,0,0]=3 16534 B17R2.322318 CCNC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000183381 [0,0,0,2,0,0|1,0,0]=3 16535 B17R2.322318 CCNC(=O)CN1CCCC2C1CCCC2 34a_100000211887_100000183381 [0,0,0,2,0,0|1,0,0]=3 16536 B17R2.322318 CCNC(=O)CN1CCOC2C1CCCC2 2230a_200000741227_100000183381 [0,0,0,2,0,0|2,0,0]=4 16537 B17R2.322318 CCNC(=O)CN1CCOC2C1CCCC2 269982a_200000741227_100000183381 [0,0,0,2,0,0|2,0,0]=4 16538 B17R2.322318 CCNC(=O)CN1CCOC2C1CCCC2 34a_200000741227_100000183381 [0,0,0,2,0,0|2,0,0]=4 16539 B17R2.322318 CCOC(=O)CN1CCCC2C1CCCC2 2230a_100000211887_100000188475 [0,0,0,2,0,0|2,0,0]=4 16540 B17R2.322318 CCOC(=O)CN1CCCC2C1CCCC2 269982a_100000211887_100000188475 [0,0,0,2,0,0|2,0,0]=4 16541 B17R2.322318 CCOC(=O)CN1CCCC2C1CCCC2 34a_100000211887_100000188475 [0,0,0,2,0,0|2,0,0]=4 16542 B17R2.322318 O=C(CN1CCCC2C1CCCC2)NCO 2230a_100000211887_100000185155 [0,0,0,2,0,0|2,0,0]=4 16543 B17R2.322318 O=C(CN1CCCC2C1CCCC2)NCO 269982a_100000211887_100000185155 [0,0,0,2,0,0|2,0,0]=4 16544 B17R2.322318 O=C(CN1CCCC2C1CCCC2)NCO 34a_100000211887_100000185155 [0,0,0,2,0,0|2,0,0]=4 16545 B17R2.2134 CCNC(=O)CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000737597 [0,0,0,2,0,0|1,0,0]=3 16546 B17R2.2134 CCNC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000737597 [0,0,0,2,0,0|1,0,0]=3 16547 B17R2.2134 CCOC(=O)CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100011206558 [0,0,0,2,0,0|2,0,0]=4 16548 B17R2.2134 CCOC(=O)CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100011206558 [0,0,0,2,0,0|2,0,0]=4 16549 B17R2.2134 CCOC(=O)CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000765890 [0,0,0,2,0,0|2,0,0]=4 16550 B17R2.2159 CCCC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000747444 [0,0,0,2,0,0|2,0,0]=4 16551 B17R2.2159 CCCC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000747444 [0,0,0,2,0,0|2,0,0]=4 16552 B17R2.2159 CCNC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000183381 [0,0,0,2,0,0|1,0,0]=3 16553 B17R2.2159 CCNC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000183381 [0,0,0,2,0,0|1,0,0]=3 16554 B17R2.2159 CCNC(=O)CN1CCC2CCCCC2C1 34a_100000211783_100000183381 [0,0,0,2,0,0|1,0,0]=3 16555 B17R2.2159 CCNC(=O)CN1CCN2CCCCC2C1 2230a_100000746566_100000183381 [0,0,0,2,0,0|2,0,0]=4 16556 B17R2.2159 CCNC(=O)CN1CCN2CCCCC2C1 269982a_100000746566_100000183381 [0,0,0,2,0,0|2,0,0]=4 16557 B17R2.2159 CCNC(=O)CN1CCN2CCCCC2C1 34a_100000746566_100000183381 [0,0,0,2,0,0|2,0,0]=4 16558 B17R2.2159 CCOC(=O)CN1CCC2CCCCC2C1 2230a_100000211783_100000188475 [0,0,0,2,0,0|2,0,0]=4 16559 B17R2.2159 CCOC(=O)CN1CCC2CCCCC2C1 269982a_100000211783_100000188475 [0,0,0,2,0,0|2,0,0]=4 16560 B17R2.2159 CCOC(=O)CN1CCC2CCCCC2C1 34a_100000211783_100000188475 [0,0,0,2,0,0|2,0,0]=4 16561 B17R2.2159 O=C(CN1CCC2CCCCC2C1)NCO 2230a_100000211783_100000185155 [0,0,0,2,0,0|2,0,0]=4 16562 B17R2.2159 O=C(CN1CCC2CCCCC2C1)NCO 269982a_100000211783_100000185155 [0,0,0,2,0,0|2,0,0]=4 16563 B17R2.2159 O=C(CN1CCC2CCCCC2C1)NCO 34a_100000211783_100000185155 [0,0,0,2,0,0|2,0,0]=4 16564 B17R2.3945 CC1CCCCC1NCCN2CCNC2=O 2230a_100000211402_100000090651 [0,0,0,2,0,0|2,0,0]=4 16565 B17R2.3945 CC1CCCCC1NCCN2CCNC2=O 269862a_100011207550_100000210921 [0,0,0,2,0,0|2,0,0]=4 16566 B17R2.3945 CC1CCCCC1NCCN2CCNC2=O 270004a_100011207550_100000210921 [0,0,0,2,0,0|2,0,0]=4 16567 B17R2.3945 CC1CCCCC1OCCN2CCNC2=O 7a_100000211207_100000090651 [0,0,0,2,0,0|2,0,0]=4 16568 B17R2.3945 CN1CCCCC1CCNC2CCNC2=O 2230a_100016995588_100000211948 [0,0,0,2,0,0|2,0,0]=4 16569 B17R2.3945 CN1CCCCC1CCNC2CCNC2=O 34a_100016995588_100000211948 [0,0,0,2,0,0|2,0,0]=4 16570 B17R2.3945 CN1CCCCC1CCO[C@H]2CCNC2=O 34a_100000688343_100000211948 [0,0,0,2,0,0|2,0,0]=4 16571 B17R2.3945 CN1CCCCC1COCC2CCNC2=O 34a_100000133458_100015186950 [0,0,0,2,0,0|2,0,0]=4 16572 B17R2.24079 CN1CCCCC1CN2CCNC(=O)CC2 269982a_100000698595_100015185383 [0,0,0,2,0,0|2,0,0]=4 16573 B17R2.75092 CCNC(=O)CCNCC1CC2CCC1C2 269862a_100025743525_100000697602 [0,0,0,2,0,0|1,0,0]=3 16574 B17R2.75092 CCNC(=O)CCNCC1CC2CCC1C2 270004a_100025743525_100000697602 [0,0,0,2,0,0|1,0,0]=3 16575 B17R2.75092 CCNC(=O)COCCN1CC2CCC1C2 34a_200011499663_100000183381 [0,0,0,2,0,0|2,0,0]=4 16576 B17R2.75092 CCOC(=O)CCCCN1CC2CCC1C2 2230a_100000743476_100000750268 [0,0,0,2,0,0|2,0,0]=4 16577 B17R2.75092 CCOC(=O)CCCCN1CC2CCC1C2 269982a_100000743476_100000750268 [0,0,0,2,0,0|2,0,0]=4 16578 B17R2.75092 CCOC(=O)CCCCN1CC2CCC1C2 34a_100000743476_100000750268 [0,0,0,2,0,0|2,0,0]=4 16579 B17R2.75092 CCOC(=O)CCCNC1CC2CCC1C2 2230a_100000758229_100009991533 [0,0,0,2,0,0|2,0,0]=4 16580 B17R2.75092 CCOC(=O)CCCNC1CC2CCC1C2 34a_100000758229_100009991533 [0,0,0,2,0,0|2,0,0]=4 16581 B17R2.75092 CCOC(=O)CCCOC1CC2CCC1C2 34a_100000211339_100009991533 [0,0,0,2,0,0|2,0,0]=4 16582 B17R2.75092 CCOC(=O)CCCSC1CC2CCC1C2 62a_100000727232_100009991533 [0,0,0,2,0,0|2,0,0]=4 16583 B17R2.75092 CCOC(=O)CCCSC1CC2CCC1C2 62a_100009991533_100000727232 [0,0,0,2,0,0|2,0,0]=4 16584 B17R2.75092 CCOC(=O)CCOCC1CC2CCC1C2 34a_100000229996_100000765890 [0,0,0,2,0,0|2,0,0]=4 16585 B17R2.1284 CCC1CCCC1NCCN2CCNC2=O 269862a_100011207550_100000749056 [0,0,0,2,0,0|2,0,0]=4 16586 B17R2.1284 CCC1CCCC1NCCN2CCNC2=O 270004a_100011207550_100000749056 [0,0,0,2,0,0|2,0,0]=4 16587 B17R2.2149 CCNC(=O)CN1CCN2CCCC2C1C 2230a_200000066283_100000183381 [0,0,0,2,0,0|2,0,0]=4 16588 B17R2.2149 CCNC(=O)CN1CCN2CCCC2C1C 269982a_200000066283_100000183381 [0,0,0,2,0,0|2,0,0]=4 16589 B17R2.2149 CCNC(=O)CN1CCN2CCCC2C1C 34a_200000066283_100000183381 [0,0,0,2,0,0|2,0,0]=4 16590 B17R2.9648 CCCC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000747444 [0,0,0,2,0,0|2,0,0]=4 16591 B17R2.9648 CCNC(=O)CCN1CCN2CCC[C@@H]2C1 2230a_100000008389_100000737597 [0,0,0,2,0,0|2,0,0]=4 16592 B17R2.9648 CCNC(=O)CCN1CCN2CCC[C@@H]2C1 269982a_100000008389_100000737597 [0,0,0,2,0,0|2,0,0]=4 16593 B17R2.9648 CCNC(=O)COC1CCC2CCCC2C1 34a_100000073670_100000183381 [0,0,0,2,0,0|1,0,0]=3 16594 B17R2.9648 CCNC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000183381 [0,0,0,2,0,0|1,0,0]=3 16595 B17R2.9648 CCOC(=O)COC1CCC2CCCC2C1 34a_100000073670_100000188475 [0,0,0,2,0,0|2,0,0]=4 16596 B17R2.9648 CCOC(=O)COC1CCC2CCCC2C1 7a_100000073670_100000188475 [0,0,0,2,0,0|2,0,0]=4 16597 B17R2.9648 O=C(COC1CCC2CCCC2C1)NCO 34a_100000073670_100000185155 [0,0,0,2,0,0|2,0,0]=4 16598 B17R2.9648 O=C(COC1CCC2CCCC2C1)NCO 7a_100000073670_100000185155 [0,0,0,2,0,0|2,0,0]=4 16599 B17R2.49628 CCOC(=O)CCCCN1C2CCC1CC2 2230a_100000735658_100000750268 [0,0,0,2,0,0|2,0,0]=4 16600 B17R2.49628 CCOC(=O)CCCCN1C2CCC1CC2 269982a_100000735658_100000750268 [0,0,0,2,0,0|2,0,0]=4 16601 B17R2.49628 CCOC(=O)CCCCN1C2CCC1CC2 34a_100000735658_100000750268 [0,0,0,2,0,0|2,0,0]=4 16602 B17R2.49628 CCOC(=O)CCCSC1C2CCC1CC2 62a_100009813300_100009991533 [0,0,0,2,0,0|2,0,0]=4 16603 B17R2.49628 CCOC(=O)CCCSC1C2CCC1CC2 62a_100009991533_100009813300 [0,0,0,2,0,0|2,0,0]=4 16604 B17R2.49652 CCNC(=O)CCN1C[C@H]2C[C@@H]1CN2CC 2230a_200016994038_100000737597 [0,0,0,2,0,0|2,0,0]=4 16605 B17R2.49652 CCNC(=O)CCN1C[C@H]2C[C@@H]1CN2CC 269982a_200016994038_100000737597 [0,0,0,2,0,0|2,0,0]=4 16606 B17R2.49730 CCOC(=O)CCCCN1CCCC12CC2 2230a_100020620911_100000750268 [0,0,0,2,0,0|2,0,0]=4 16607 B17R2.49730 CCOC(=O)CCCCN1CCCC12CC2 269982a_100020620911_100000750268 [0,0,0,2,0,0|2,0,0]=4 16608 B17R2.49730 CCOC(=O)CCCCN1CCCC12CC2 34a_100020620911_100000750268 [0,0,0,2,0,0|2,0,0]=4 16609 B17R2.179 CCCC(=O)N1CCCC1C2CCCCC2 11a_100011206067_100000211992 [0,0,0,2,0,0|2,0,0]=4 16610 B17R2.179 CCCC(=O)N1CCCC1C2CCCCC2 1626a_100011206067_100000211992 [0,0,0,2,0,0|2,0,0]=4 16611 B17R2.179 CCCC(=O)N1CCCC1C2CCCCC2 240690a_100011206067_100000211992 [0,0,0,2,0,0|2,0,0]=4 16612 B17R2.179 CCCC(=O)N1CCCC1C2CCCCC2 527a_100011206067_100000211992 [0,0,0,2,0,0|2,0,0]=4 16613 B17R2.179 CCNC(=O)N1CCCC1C2CCCCC2 2708a_100015525214_100011206067 [0,0,0,2,0,0|1,0,0]=3 16614 B17R2.179 CCNC(=O)N1CCCC1C2CCCCC2 273464a_100015525214_100011206067 [0,0,0,2,0,0|1,0,0]=3 16615 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCCC2 269982a_100020641767_100000210327 [0,0,0,2,0,0|1,0,0]=3 16616 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCCC2 270004a_100020641767_100000210434 [0,0,0,2,0,0|1,0,0]=3 16617 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCCC2 34a_100020641767_100000210327 [0,0,0,2,0,0|1,0,0]=3 16618 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCOC2 269982a_100020641767_100000693364 [0,0,0,2,0,0|2,0,0]=4 16619 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCOC2 270004a_100020641767_100000753404 [0,0,0,2,0,0|2,0,0]=4 16620 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCOC2 34a_100020641767_100000693364 [0,0,0,2,0,0|2,0,0]=4 16621 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCCSC2 270004a_100020641767_100000057913 [0,0,0,2,0,0|2,0,0]=4 16622 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCNCC2 270004a_100020641767_100015192401 [0,0,0,2,0,0|2,0,0]=4 16623 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCOCC2 269982a_100020641767_100011324220 [0,0,0,2,0,0|2,0,0]=4 16624 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCOCC2 270004a_100020641767_100011217826 [0,0,0,2,0,0|2,0,0]=4 16625 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCSCC2 269982a_100020641767_100000069128 [0,0,0,2,0,0|2,0,0]=4 16626 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCSCC2 270004a_100020641767_100000203788 [0,0,0,2,0,0|2,0,0]=4 16627 B17R2.179 CCNC(=O)[C@@H]1CCCN1C2CCSCC2 34a_100020641767_100000069128 [0,0,0,2,0,0|2,0,0]=4 16628 B17R2.179 CCOC(=O)[C@@H]1CCCN1C2CCCCC2 269982a_100000703725_100000210327 [0,0,0,2,0,0|2,0,0]=4 16629 B17R2.179 CCOC(=O)[C@@H]1CCCN1C2CCCCC2 270004a_100000703725_100000210434 [0,0,0,2,0,0|2,0,0]=4 16630 B17R2.281 CCNC(=O)CN1CCOC12CCCCC2 269982a_200015422347_100000183381 [0,0,0,2,0,0|2,0,0]=4 16631 B17R2.281 CCNC(=O)CN1CCOC12CCCCC2 34a_200015422347_100000183381 [0,0,0,2,0,0|2,0,0]=4 16632 B17R2.2135 CCCC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000747444 [0,0,0,2,0,0|2,0,0]=4 16633 B17R2.2135 CCNC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000183381 [0,0,0,2,0,0|1,0,0]=3 16634 B17R2.2135 CCNC(=O)CNCC1CC12CCCCC2 34a_100015185624_100000183381 [0,0,0,2,0,0|1,0,0]=3 16635 B17R2.2135 CCOC(=O)CNCC1CC12CCCCC2 2230a_100015185624_100000188475 [0,0,0,2,0,0|2,0,0]=4 16636 B17R2.2135 CCOC(=O)CNCC1CC12CCCCC2 34a_100015185624_100000188475 [0,0,0,2,0,0|2,0,0]=4 16637 B17R2.2135 O=C(CNCC1CC12CCCCC2)NCO 2230a_100015185624_100000185155 [0,0,0,2,0,0|2,0,0]=4 16638 B17R2.2135 O=C(CNCC1CC12CCCCC2)NCO 34a_100015185624_100000185155 [0,0,0,2,0,0|2,0,0]=4 16639 B17R2.2383 C1CCC(CC1)CCCNCC2=NCCN2 34a_100011211642_100000737910 [0,0,0,2,0,0|2,0,0]=4 16640 B17R2.2383 C1CCC(CC1)CCCOCC2=NCCN2 34a_100000198086_100000737910 [0,0,0,2,0,0|2,0,0]=4 16641 B17R2.2383 C1CCC(CC1)CCCOCC2=NCCN2 7a_100000198086_100000737910 [0,0,0,2,0,0|2,0,0]=4 16642 B17R2.2383 C1CCC(CC1)CCCSCC2=NCCN2 62a_100000737910_100011713725 [0,0,0,2,0,0|2,0,0]=4 16643 B17R2.2383 C1CCC(CC1)CCCSCC2=NCCN2 62a_100011713725_100000737910 [0,0,0,2,0,0|2,0,0]=4 16644 B17R2.3513 O=C1CCCC1NCCCC2CCCCC2 2230a_100011211642_100000211823 [0,0,0,2,0,0|2,0,0]=4 16645 B17R2.3513 O=C1CCCC1NCCCC2CCCCC2 34a_100011211642_100000709159 [0,0,0,2,0,0|2,0,0]=4 16646 B17R2.3513 O=C1CCCC1OCCCC2CCCCC2 34a_100000198086_100000709159 [0,0,0,2,0,0|2,0,0]=4 16647 B17R2.3513 O=C1CCCC1OCCCC2CCCCC2 34a_200000719330_100011713725 [0,0,0,2,0,0|2,0,0]=4 16648 B17R2.3513 O=C1CCCC1OCCCC2CCCCC2 7a_100000198086_100000211823 [0,0,0,2,0,0|2,0,0]=4 16649 B17R2.3513 O=C1CCCC1SCCCC2CCCCC2 62a_100000211823_100011713725 [0,0,0,2,0,0|2,0,0]=4 16650 B17R2.3513 O=C1CCCC1SCCCC2CCCCC2 62a_100011713725_100000211823 [0,0,0,2,0,0|2,0,0]=4 16651 B17R2.3513 O=C1NCCC1COCCC2CCCCC2 34a_100000133458_100011209188 [0,0,0,2,0,0|1,0,0]=3 16652 B17R2.3513 O=C1NCCC1COCCC2CCOCC2 34a_100000133458_100011934994 [0,0,0,2,0,0|2,0,0]=4 16653 B17R2.3513 O=C1NCCC1COCCN2CCCCC2 34a_100000133458_100000739454 [0,0,0,2,0,0|2,0,0]=4 16654 B17R2.3513 O=C1NCCC1COCOC2CCCCC2 34a_100000133458_100011935260 [0,0,0,2,0,0|2,0,0]=4 16655 B17R2.3513 O=C1NCCC1NCCCC2CCCCC2 2230a_100016995588_100011713725 [0,0,0,2,0,0|1,0,0]=3 16656 B17R2.3513 O=C1NCCC1NCCCC2CCCCC2 34a_100016995588_100011713725 [0,0,0,2,0,0|1,0,0]=3 16657 B17R2.3513 O=C1NCCC1NCCCN2CCCCC2 2230a_100016995588_100000690320 [0,0,0,2,0,0|2,0,0]=4 16658 B17R2.3513 O=C1NCCC1NCCCN2CCCCC2 34a_100016995588_100000690320 [0,0,0,2,0,0|2,0,0]=4 16659 B17R2.3513 O=C1NCCC1NCCOC2CCCCC2 2230a_100016995588_100011211530 [0,0,0,2,0,0|2,0,0]=4 16660 B17R2.3513 O=C1NCCC1NCCOC2CCCCC2 34a_100016995588_100011211530 [0,0,0,2,0,0|2,0,0]=4 16661 B17R2.3513 O=C1NCCN1CCNCC2CCCCC2 2230a_100000210473_100000090651 [0,0,0,2,0,0|2,0,0]=4 16662 B17R2.3513 O=C1NCCN1CCNCC2CCCCC2 2230a_100011207550_100000211423 [0,0,0,2,0,0|2,0,0]=4 16663 B17R2.3513 O=C1NCCN1CCNCC2CCCCC2 269862a_100011207550_100000211278 [0,0,0,2,0,0|2,0,0]=4 16664 B17R2.3513 O=C1NCCN1CCOCC2CCCCC2 34a_100000216532_100000211423 [0,0,0,2,0,0|2,0,0]=4 16665 B17R2.3513 O=C1NCCN1CCOCC2CCCCC2 7a_100000212181_100000090651 [0,0,0,2,0,0|2,0,0]=4 16666 B17R2.3513 O=C1NCCN1CCSCC2CCCCC2 62a_100000090651_100000211423 [0,0,0,2,0,0|2,0,0]=4 16667 B17R2.3513 O=C1NCCN1CCSCC2CCCCC2 62a_100000211423_100000090651 [0,0,0,2,0,0|2,0,0]=4 16668 B17R2.3513 O=C1NCC[C@@H]1OCCCC2CCCCC2 34a_100000688343_100011713725 [0,0,0,2,0,0|1,0,0]=3 16669 B17R2.3513 O=C1NCC[C@@H]1OCCCN2CCCCC2 34a_100000688343_100000690320 [0,0,0,2,0,0|2,0,0]=4 16670 B17R2.3513 O=C1NCC[C@@H]1OCCOC2CCCCC2 34a_100000688343_100011211530 [0,0,0,2,0,0|2,0,0]=4 16671 B17R2.3513 O=C1NOC[C@H]1NCCCC2CCCCC2 2230a_100000765999_100011713725 [0,0,0,2,0,0|2,0,0]=4 16672 B17R2.3513 O=C1NOC[C@H]1NCCCC2CCCCC2 34a_100000765999_100011713725 [0,0,0,2,0,0|2,0,0]=4 16673 B17R2.3513 O=C1OCCC1NCCCC2CCCCC2 2230a_100011211642_100000211211 [0,0,0,2,0,0|2,0,0]=4 16674 B17R2.3513 O=C1OCCC1NCCCC2CCCCC2 34a_100011211642_100000211211 [0,0,0,2,0,0|2,0,0]=4 16675 B17R2.3513 O=C1OCCC1OCCCC2CCCCC2 34a_100000198086_100000211211 [0,0,0,2,0,0|2,0,0]=4 16676 B17R2.3513 O=C1OCCC1OCCCC2CCCCC2 7a_100000198086_100000211211 [0,0,0,2,0,0|2,0,0]=4 16677 B17R2.3513 O=C1OCCC1SCCCC2CCCCC2 62a_100000211211_100011713725 [0,0,0,2,0,0|2,0,0]=4 16678 B17R2.3513 O=C1OCCC1SCCCC2CCCCC2 62a_100011713725_100000211211 [0,0,0,2,0,0|2,0,0]=4 16679 B17R2.24159 O=C1CCN(CCN1)CCC2CCCCC2 2230a_100000698595_100012355289 [0,0,0,2,0,0|1,0,0]=3 16680 B17R2.24159 O=C1CCN(CCN1)CCC2CCCCC2 269982a_100000698595_100011273959 [0,0,0,2,0,0|1,0,0]=3 16681 B17R2.24159 O=C1CCN(CCN1)CCC2CCCCC2 270004a_100000698595_100011713444 [0,0,0,2,0,0|1,0,0]=3 16682 B17R2.24159 O=C1CCN(CCN1)CCC2CCOCC2 2230a_100000698595_100011934994 [0,0,0,2,0,0|2,0,0]=4 16683 B17R2.24159 O=C1CCN(CCN1)CCC2CCOCC2 269982a_100000698595_100011934994 [0,0,0,2,0,0|2,0,0]=4 16684 B17R2.24159 O=C1CCN(CCN1)CCN2CCCCC2 2230a_100000698595_100000739454 [0,0,0,2,0,0|2,0,0]=4 16685 B17R2.24159 O=C1CCN(CCN1)CCN2CCCCC2 269982a_100000698595_100000739454 [0,0,0,2,0,0|2,0,0]=4 16686 B17R2.24159 O=C1CCN(CCN1)COC2CCCCC2 2230a_100000698595_100011935260 [0,0,0,2,0,0|2,0,0]=4 16687 B17R2.24159 O=C1CCN(CCN1)COC2CCCCC2 269982a_100000698595_100011935260 [0,0,0,2,0,0|2,0,0]=4 16688 B17R2.45592 O=C(CNCCCC1CCCCC1)C2CC2 2230a_100011211642_100000746382 [0,0,0,2,0,0|2,0,0]=4 16689 B17R2.45592 O=C(CNCCCC1CCCCC1)C2CC2 34a_100011211642_100000746382 [0,0,0,2,0,0|2,0,0]=4 16690 B17R2.45592 O=C(COCCCC1CCCCC1)C2CC2 34a_100000198086_100000746382 [0,0,0,2,0,0|2,0,0]=4 16691 B17R2.45592 O=C(COCCCC1CCCCC1)C2CC2 34a_100000686663_100011713725 [0,0,0,2,0,0|2,0,0]=4 16692 B17R2.45592 O=C(COCCCC1CCCCC1)C2CC2 7a_100000198086_100000746382 [0,0,0,2,0,0|2,0,0]=4 16693 B17R2.45592 O=C(CSCCCC1CCCCC1)C2CC2 62a_100000746382_100011713725 [0,0,0,2,0,0|2,0,0]=4 16694 B17R2.45592 O=C(CSCCCC1CCCCC1)C2CC2 62a_100011713725_100000746382 [0,0,0,2,0,0|2,0,0]=4 16695 B17R2.49604 CCNC(=O)CCN1CCN2CCC1CC2 269982a_100000027273_100000737597 [0,0,0,2,0,0|2,0,0]=4 16696 B17R2.49751 CCOC(=O)CCCCCN1CC2CC2C1 2230a_100000741873_100000755133 [0,0,0,2,0,0|2,0,0]=4 16697 B17R2.49751 CCOC(=O)CCCCCN1CC2CC2C1 269982a_100000741873_100000755133 [0,0,0,2,0,0|2,0,0]=4 16698 B17R2.49751 CCOC(=O)CCCCCN1CC2CC2C1 34a_100000741873_100000755133 [0,0,0,2,0,0|2,0,0]=4 16699 B17R2.49889 CCNC(=O)CCN[C@H]1CN2CCC1CC2 2230a_100016987387_100000737597 [0,0,0,2,0,0|2,0,0]=4 16700 B17R2.49889 CCOC(=O)CCCN1CC2CCC1CC2 2230a_100000750499_100009991533 [0,0,0,2,0,0|2,0,0]=4 16701 B17R2.49889 CCOC(=O)CCCN1CC2CCC1CC2 269982a_100000750499_100009991533 [0,0,0,2,0,0|2,0,0]=4 16702 B17R2.49889 CCOC(=O)CCCN1CC2CCC1CC2 34a_100000750499_100009991533 [0,0,0,2,0,0|2,0,0]=4 16703 B17R2.323576 CCOC(=O)CCCCOC1CCC2C1C2 34a_200012295571_100000750268 [0,0,0,2,0,0|2,0,0]=4 16704 B17R2.2750 CCC1CCCCN1CCN2CCNC2=O 2230a_100000210034_100000090651 [0,0,0,2,0,0|2,0,0]=4 16705 B17R2.2750 CCC1CCCCN1CCN2CCNC2=O 269982a_100000210034_100000090651 [0,0,0,2,0,0|2,0,0]=4 16706 B17R2.12603 CCC1CCCCC1N2CCNC(=O)CC2 270004a_100000698595_100000757040 [0,0,0,2,0,0|1,0,0]=3 16707 B17R2.12603 COC1CCCCC1N2CCNC(=O)CC2 270004a_100000698595_100000740605 [0,0,0,2,0,0|2,0,0]=4 16708 B17R2.12603 O=C1CCN(CCN1)C2CCCCC2CO 270004a_100000698595_100009861125 [0,0,0,2,0,0|2,0,0]=4 16709 B17R2.3524 O=C1NCCC1COCCCC2CCCC2 34a_100000133458_100011713738 [0,0,0,2,0,0|1,0,0]=3 16710 B17R2.3524 O=C1NCCC1COCCCN2CCCC2 34a_100000133458_100016991639 [0,0,0,2,0,0|2,0,0]=4 16711 B17R2.3524 O=C1NCCN1CCNCCC2CCCC2 2230a_100000739158_100000090651 [0,0,0,2,0,0|2,0,0]=4 16712 B17R2.3524 O=C1NCCN1CCNCCC2CCCC2 2230a_100011207550_100000760354 [0,0,0,2,0,0|2,0,0]=4 16713 B17R2.3524 O=C1NCCN1CCOCCC2CCCC2 34a_100000216532_100000760354 [0,0,0,2,0,0|2,0,0]=4 16714 B17R2.3524 O=C1NCCN1CCOCCC2CCCC2 7a_100000749090_100000090651 [0,0,0,2,0,0|2,0,0]=4 16715 B17R2.3524 O=C1NCCN1CCSCCC2CCCC2 62a_100000090651_100000760354 [0,0,0,2,0,0|2,0,0]=4 16716 B17R2.3524 O=C1NCCN1CCSCCC2CCCC2 62a_100000760354_100000090651 [0,0,0,2,0,0|2,0,0]=4 16717 B17R2.6147 CCOC(=O)C1CCCCN1C2CCCC2 2230a_100016990872_100000179811 [0,0,0,2,0,0|2,0,0]=4 16718 B17R2.6147 CCOC(=O)C1CCCCN1C2CCCC2 269982a_100016990872_100000179811 [0,0,0,2,0,0|2,0,0]=4 16719 B17R2.6147 CCOC(=O)C1CCCCN1C2CCCC2 270004a_100016990872_100000210133 [0,0,0,2,0,0|2,0,0]=4 16720 B17R2.6215 CCNC(=O)N1CCCC1CN2CCCC2 2708a_100015525214_100000746075 [0,0,0,2,0,0|2,0,0]=4 16721 B17R2.6215 CCNC(=O)N1CCCC1CN2CCCC2 273464a_100015525214_100000746075 [0,0,0,2,0,0|2,0,0]=4 16722 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCCC2 2230a_100020641767_100000740388 [0,0,0,2,0,0|1,0,0]=3 16723 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCCC2 269982a_100020641767_100000740388 [0,0,0,2,0,0|1,0,0]=3 16724 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCCC2 34a_100020641767_100000740388 [0,0,0,2,0,0|1,0,0]=3 16725 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCCO2 2230a_100020641767_100000203698 [0,0,0,2,0,0|2,0,0]=4 16726 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCCO2 269982a_100020641767_100000183445 [0,0,0,2,0,0|2,0,0]=4 16727 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCOC2 2230a_100020641767_100000702531 [0,0,0,2,0,0|2,0,0]=4 16728 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCOC2 269982a_100020641767_100000702531 [0,0,0,2,0,0|2,0,0]=4 16729 B17R2.6215 CCNC(=O)[C@@H]1CCCN1CC2CCOC2 34a_100020641767_100011261433 [0,0,0,2,0,0|2,0,0]=4 16730 B17R2.6215 CCOC(=O)[C@@H]1CCCN1CC2CCCC2 2230a_100000703725_100000740388 [0,0,0,2,0,0|2,0,0]=4 16731 B17R2.6215 CCOC(=O)[C@@H]1CCCN1CC2CCCC2 269982a_100000703725_100000740388 [0,0,0,2,0,0|2,0,0]=4 16732 B17R2.6215 CCOC(=O)[C@@H]1CCC[C@@H]1OC2CCCC2 7a_200015395474_100000179811 [0,0,0,2,0,0|2,0,0]=4 16733 B17R2.6257 CCCC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000747444 [0,0,0,2,0,0|2,0,0]=4 16734 B17R2.6257 CCCC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000747444 [0,0,0,2,0,0|2,0,0]=4 16735 B17R2.6257 CCNC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000183381 [0,0,0,2,0,0|1,0,0]=3 16736 B17R2.6257 CCNC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000183381 [0,0,0,2,0,0|1,0,0]=3 16737 B17R2.6257 CCNC(=O)CN1CCCC1C2CCCC2 34a_100000743374_100000183381 [0,0,0,2,0,0|1,0,0]=3 16738 B17R2.6257 CCOC(=O)CN1CCCC1C2CCCC2 2230a_100000743374_100000188475 [0,0,0,2,0,0|2,0,0]=4 16739 B17R2.6257 CCOC(=O)CN1CCCC1C2CCCC2 269982a_100000743374_100000188475 [0,0,0,2,0,0|2,0,0]=4 16740 B17R2.6257 CCOC(=O)CN1CCCC1C2CCCC2 34a_100000743374_100000188475 [0,0,0,2,0,0|2,0,0]=4 16741 B17R2.6257 O=C(CN1CCCC1C2CCCC2)NCO 2230a_100000743374_100000185155 [0,0,0,2,0,0|2,0,0]=4 16742 B17R2.6257 O=C(CN1CCCC1C2CCCC2)NCO 269982a_100000743374_100000185155 [0,0,0,2,0,0|2,0,0]=4 16743 B17R2.6257 O=C(CN1CCCC1C2CCCC2)NCO 34a_100000743374_100000185155 [0,0,0,2,0,0|2,0,0]=4 16744 B17R2.24162 O=C1CCN(CCN1)CCCC2CCCC2 2230a_100000698595_100011713738 [0,0,0,2,0,0|1,0,0]=3 16745 B17R2.24162 O=C1CCN(CCN1)CCCC2CCCC2 269982a_100000698595_100011713738 [0,0,0,2,0,0|1,0,0]=3 16746 B17R2.24162 O=C1CCN(CCN1)CCCN2CCCC2 2230a_100000698595_100011445909 [0,0,0,2,0,0|2,0,0]=4 16747 B17R2.24162 O=C1CCN(CCN1)CCCN2CCCC2 269982a_100000698595_100011445909 [0,0,0,2,0,0|2,0,0]=4 16748 B17R2.7394 C1CCCC(CCC1)COCC2=NCCN2 34a_100011216312_100000737910 [0,0,0,2,0,0|2,0,0]=4 16749 B17R2.7394 C1CCCC(CCC1)COCC2=NCCN2 7a_100011216312_100000737910 [0,0,0,2,0,0|2,0,0]=4 16750 B17R2.7395 C1CCCC(CC1)CCNCC2=NCCN2 34a_100011532351_100000737910 [0,0,0,2,0,0|2,0,0]=4 16751 B17R2.805 CCCCC1CCCC1NC2CCNC2=O 270004a_100016995588_100000750825 [0,0,0,2,0,0|1,0,0]=3 16752 B17R2.805 CCCCC1CCCC1N[C@@H]2CONC2=O 270004a_100000765999_100000750825 [0,0,0,2,0,0|2,0,0]=4 16753 B17R2.50473 CCNC(=O)CN1CC2CCCN2CC1C 2230a_200159271516_100000183381 [0,0,0,2,0,0|2,0,0]=4 16754 B17R2.50473 CCNC(=O)CN1CC2CCCN2CC1C 269982a_200159271516_100000183381 [0,0,0,2,0,0|2,0,0]=4 16755 B17R2.50473 CCNC(=O)CN1CC2CCCN2CC1C 34a_200159271516_100000183381 [0,0,0,2,0,0|2,0,0]=4 16756 B17R2.6204 CCOC(=O)CCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100009991533 [0,0,0,2,0,0|2,0,0]=4 16757 B17R2.6204 CCOC(=O)CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100009991533 [0,0,0,2,0,0|2,0,0]=4 16758 B17R2.6204 CCOC(=O)CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100009991533 [0,0,0,2,0,0|2,0,0]=4 16759 B17R2.21242 O=C1CCCC1OCC2CCCCCCC2 34a_100011216312_100000709159 [0,0,0,2,0,0|2,0,0]=4 16760 B17R2.21242 O=C1CCCC1OCC2CCCCCCC2 7a_100011216312_100000211823 [0,0,0,2,0,0|2,0,0]=4 16761 B17R2.21242 O=C1NCCN1CCN2CCCCCCC2 2230a_100000211400_100000090651 [0,0,0,2,0,0|2,0,0]=4 16762 B17R2.21242 O=C1NCCN1CCN2CCCCCCC2 269982a_100000211400_100000090651 [0,0,0,2,0,0|2,0,0]=4 16763 B17R2.21242 O=C1OCCC1OCC2CCCCCCC2 34a_100011216312_100000211211 [0,0,0,2,0,0|2,0,0]=4 16764 B17R2.21242 O=C1OCCC1OCC2CCCCCCC2 7a_100011216312_100000211211 [0,0,0,2,0,0|2,0,0]=4 16765 B17R2.178202 O=C1CCN(CCN1)C2CCCCCCC2 270004a_100000698595_100000210524 [0,0,0,2,0,0|1,0,0]=3 16766 B17R2.295062 O=C(COCC1CCCCCCC1)C2CC2 34a_100011216312_100000746382 [0,0,0,2,0,0|2,0,0]=4 16767 B17R2.295062 O=C(COCC1CCCCCCC1)C2CC2 7a_100011216312_100000746382 [0,0,0,2,0,0|2,0,0]=4 16768 B17R2.295062 O=C(NCCC1CCCCCCC1)C2CC2 11a_100011532352_100000210395 [0,0,0,2,0,0|2,0,0]=4 16769 B17R2.295062 O=C(NCCC1CCCCCCC1)C2CC2 1626a_100011532352_100000210395 [0,0,0,2,0,0|2,0,0]=4 16770 B17R2.295062 O=C(NCCC1CCCCCCC1)C2CC2 240690a_100011532352_100000210395 [0,0,0,2,0,0|2,0,0]=4 16771 B17R2.295062 O=C(NCCC1CCCCCCC1)C2CC2 527a_100011532352_100000210395 [0,0,0,2,0,0|2,0,0]=4 16772 B17R2.443518 CCCC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000747444 [0,0,0,2,0,0|2,0,0]=4 16773 B17R2.443518 CCNC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000183381 [0,0,0,2,0,0|1,0,0]=3 16774 B17R2.443518 CCNC(=O)CNCC12CCCC1CCC2 34a_100159271432_100000183381 [0,0,0,2,0,0|1,0,0]=3 16775 B17R2.443518 CCNC(=O)COCC12CCCN1CCC2 34a_100000722608_100000183381 [0,0,0,2,0,0|2,0,0]=4 16776 B17R2.443518 CCNC(=O)COCC12CCCN1CCC2 7a_100000722608_100000183381 [0,0,0,2,0,0|2,0,0]=4 16777 B17R2.443518 CCNC(=O)NCCC12CCCN1CCC2 2708a_100015525214_100020630938 [0,0,0,2,0,0|2,0,0]=4 16778 B17R2.443518 CCNC(=O)NCCC12CCCN1CCC2 2708a_100020630938_100015525214 [0,0,0,2,0,0|2,0,0]=4 16779 B17R2.443518 CCNC(=O)NCCC12CCCN1CCC2 273464a_100015525214_100020630938 [0,0,0,2,0,0|2,0,0]=4 16780 B17R2.443518 CCNC(=O)NCCC12CCCN1CCC2 273464a_100020630938_100015525214 [0,0,0,2,0,0|2,0,0]=4 16781 B17R2.443518 CCNC(=O)NCCC12CCCN1CCC2 512a_100015525214_100020630938 [0,0,0,2,0,0|2,0,0]=4 16782 B17R2.443518 CCNC(=O)NCCC12CCCN1CCC2 512a_100020630938_100015525214 [0,0,0,2,0,0|2,0,0]=4 16783 B17R2.443518 CCOC(=O)CNCC12CCCC1CCC2 2230a_100159271432_100000188475 [0,0,0,2,0,0|2,0,0]=4 16784 B17R2.443518 CCOC(=O)CNCC12CCCC1CCC2 34a_100159271432_100000188475 [0,0,0,2,0,0|2,0,0]=4 16785 B17R2.443518 O=C(CNCC12CCCC1CCC2)NCO 2230a_100159271432_100000185155 [0,0,0,2,0,0|2,0,0]=4 16786 B17R2.443518 O=C(CNCC12CCCC1CCC2)NCO 34a_100159271432_100000185155 [0,0,0,2,0,0|2,0,0]=4 16787 B17R2.9744 CCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC 2230a_100016991816_100000210303 [0,0,0,2,0,0|2,0,0]=4 16788 B17R2.9744 CCCN1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC 269982a_100016991816_100000210303 [0,0,0,2,0,0|2,0,0]=4 16789 B17R2.50194 CCOC(=O)C1CCCCN1CC2CCC2 2230a_100016990872_100000763275 [0,0,0,2,0,0|2,0,0]=4 16790 B17R2.50194 CCOC(=O)C1CCCCN1CC2CCC2 269982a_100016990872_100000763275 [0,0,0,2,0,0|2,0,0]=4 16791 B17R2.50455 CCOC(=O)[C@@H]1CCC[C@@H]1OCC2CCC2 7a_200015395474_100000763275 [0,0,0,2,0,0|2,0,0]=4 16792 B17R2.75182 CCOC(=O)CC1CCCCN1C2CCC2 269982a_100116209990_100000749161 [0,0,0,2,0,0|2,0,0]=4 16793 B17R2.5040 CN1CCCC1CCOCC2CCNC2=O 34a_100000133458_100000005710 [0,0,0,2,0,0|2,0,0]=4 16794 B17R2.21018 O=C1NCCC1NC2CCCCCCCC2 270004a_100016995588_100000038600 [0,0,0,2,0,0|1,0,0]=3 16795 B17R2.21018 O=C1NOC[C@H]1NC2CCCCCCCC2 270004a_100000765999_100000038600 [0,0,0,2,0,0|2,0,0]=4 16796 B17R2.23545 O=C1CCCC1NCCC2CCCCCC2 2230a_100011532351_100000211823 [0,0,0,2,0,0|2,0,0]=4 16797 B17R2.23545 O=C1CCCC1NCCC2CCCCCC2 34a_100011532351_100000709159 [0,0,0,2,0,0|2,0,0]=4 16798 B17R2.23545 O=C1NCCC1COCC2CCCCCC2 34a_100000133458_200000696569 [0,0,0,2,0,0|1,0,0]=3 16799 B17R2.23545 O=C1NCCN1CCNC2CCCCCC2 2230a_100000210984_100000090651 [0,0,0,2,0,0|2,0,0]=4 16800 B17R2.23545 O=C1NCCN1CCNC2CCCCCC2 270004a_100011207550_100000210131 [0,0,0,2,0,0|2,0,0]=4 16801 B17R2.23545 O=C1NCCN1CCOC2CCCCCC2 34a_100000216532_100011217769 [0,0,0,2,0,0|2,0,0]=4 16802 B17R2.23545 O=C1NCCN1CCOC2CCCCCC2 7a_100000210887_100000090651 [0,0,0,2,0,0|2,0,0]=4 16803 B17R2.23545 O=C1NCCN1CCSC2CCCCCC2 62a_100000090651_100011217769 [0,0,0,2,0,0|2,0,0]=4 16804 B17R2.23545 O=C1NCCN1CCSC2CCCCCC2 62a_100011217769_100000090651 [0,0,0,2,0,0|2,0,0]=4 16805 B17R2.23545 O=C1OCCC1NCCC2CCCCCC2 2230a_100011532351_100000211211 [0,0,0,2,0,0|2,0,0]=4 16806 B17R2.23545 O=C1OCCC1NCCC2CCCCCC2 34a_100011532351_100000211211 [0,0,0,2,0,0|2,0,0]=4 16807 B17R2.47974 CCCC1CCCC1N2CCNC(=O)CC2 270004a_100000698595_100000723119 [0,0,0,2,0,0|1,0,0]=3 16808 B17R2.74969 CCOC(=O)CCCN1CCCC1C2CC2 2230a_200000757794_100009991533 [0,0,0,2,0,0|2,0,0]=4 16809 B17R2.74969 CCOC(=O)CCCN1CCCC1C2CC2 269982a_200000757794_100009991533 [0,0,0,2,0,0|2,0,0]=4 16810 B17R2.74969 CCOC(=O)CCCN1CCCC1C2CC2 34a_200000757794_100009991533 [0,0,0,2,0,0|2,0,0]=4 16811 B17R2.166180 CCCCCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000210314 [0,0,0,2,0,0|1,0,0]=3 16812 B17R2.166180 CCCCCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000210757 [0,0,0,2,0,0|1,0,0]=3 16813 B17R2.166180 CCCCCCN1CCN2C(=O)CCC2C1 34a_100020639069_100000210314 [0,0,0,2,0,0|1,0,0]=3 16814 B17R2.166180 CCCCCCN1CCN2C(=O)OCC2C1 2230a_100000689011_100000210314 [0,0,0,2,0,0|2,0,0]=4 16815 B17R2.166180 CCCCCCN1CCN2C(=O)OCC2C1 269982a_100000689011_100000210757 [0,0,0,2,0,0|2,0,0]=4 16816 B17R2.166180 CCCCOCN1CCN2C(=O)CCC2C1 2230a_100020639069_100011995733 [0,0,0,2,0,0|2,0,0]=4 16817 B17R2.166180 CCCCOCN1CCN2C(=O)CCC2C1 269982a_100020639069_100011995733 [0,0,0,2,0,0|2,0,0]=4 16818 B17R2.166180 CCCCOCN1CCN2C(=O)CCC2C1 34a_100020639069_100011995733 [0,0,0,2,0,0|2,0,0]=4 16819 B17R2.166180 CCCOCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100011215938 [0,0,0,2,0,0|2,0,0]=4 16820 B17R2.166180 CCCOCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100011215938 [0,0,0,2,0,0|2,0,0]=4 16821 B17R2.166180 CCCOCCN1CCN2C(=O)CCC2C1 34a_100020639069_100011215938 [0,0,0,2,0,0|2,0,0]=4 16822 B17R2.166180 CCOCCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100012232248 [0,0,0,2,0,0|2,0,0]=4 16823 B17R2.166180 CCOCCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100012232248 [0,0,0,2,0,0|2,0,0]=4 16824 B17R2.166180 CCOCCCN1CCN2C(=O)CCC2C1 34a_100020639069_100012232248 [0,0,0,2,0,0|2,0,0]=4 16825 B17R2.166180 COCCCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000730899 [0,0,0,2,0,0|2,0,0]=4 16826 B17R2.166180 COCCCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000730899 [0,0,0,2,0,0|2,0,0]=4 16827 B17R2.166180 COCCCCN1CCN2C(=O)CCC2C1 34a_100020639069_100000755781 [0,0,0,2,0,0|2,0,0]=4 16828 B17R2.166180 O=C1CCC2N1CCN(C2)CCCCCF 2230a_100020639069_100000729378 [0,0,0,2,0,0|2,0,0]=4 16829 B17R2.166180 O=C1CCC2N1CCN(C2)CCCCCF 269982a_100020639069_100000729378 [0,0,0,2,0,0|2,0,0]=4 16830 B17R2.166180 O=C1CCC2N1CCN(C2)CCCCCF 34a_100020639069_100000729378 [0,0,0,2,0,0|2,0,0]=4 16831 B17R2.166180 O=C1CCC2N1CCN(C2)CCCCCO 2230a_100020639069_100000746330 [0,0,0,2,0,0|2,0,0]=4 16832 B17R2.166180 O=C1CCC2N1CCN(C2)CCCCCO 269982a_100020639069_100000746330 [0,0,0,2,0,0|2,0,0]=4 16833 B17R2.166180 O=C1CCC2N1CCN(C2)CCCCCO 34a_100020639069_100000746330 [0,0,0,2,0,0|2,0,0]=4 16834 B17R2.50138 CCCC(=O)N1C(CCC2C1CCCC2)C 11a_100132302184_100000211992 [0,0,0,2,0,0|2,0,0]=4 16835 B17R2.50138 CCCC(=O)N1C(CCC2C1CCCC2)C 240690a_100132302184_100000211992 [0,0,0,2,0,0|2,0,0]=4 16836 B17R2.50138 CCCC(=O)N1C(CCC2C1CCCC2)C 527a_100132302184_100000211992 [0,0,0,2,0,0|2,0,0]=4 16837 B17R2.50138 CCNC(=O)N1C(CCC2C1CCCC2)C 273464a_100015525214_100132302184 [0,0,0,2,0,0|1,0,0]=3 16838 B17R2.75124 CCOC(=O)CC1CCCCN1CC2CC2 2230a_100116209990_100000742324 [0,0,0,2,0,0|2,0,0]=4 16839 B17R2.75124 CCOC(=O)CC1CCCCN1CC2CC2 269982a_100116209990_100000756562 [0,0,0,2,0,0|2,0,0]=4 16840 B17R2.24066 CN1CCCC1CCN2CCNC(=O)CC2 2230a_100000698595_100000005710 [0,0,0,2,0,0|2,0,0]=4 16841 B17R2.24066 CN1CCCC1CCN2CCNC(=O)CC2 269982a_100000698595_100000005710 [0,0,0,2,0,0|2,0,0]=4 16842 B17R2.178265 O=C1CCN(CCN1)CC2CCCCCC2 2230a_100000698595_200000696569 [0,0,0,2,0,0|1,0,0]=3 16843 B17R2.178265 O=C1CCN(CCN1)CC2CCCCCC2 269982a_100000698595_200000696569 [0,0,0,2,0,0|1,0,0]=3 16844 B17R2.50193 CCOC(=O)C1CCCCC1OCC2CC2 7a_100000038711_100000742324 [0,0,0,2,0,0|2,0,0]=4 16845 B17R2.50193 CCOC(=O)C1CCCCN1CCC2CC2 2230a_100016990872_100000694398 [0,0,0,2,0,0|2,0,0]=4 16846 B17R2.50193 CCOC(=O)C1CCCCN1CCC2CC2 269982a_100016990872_100000694398 [0,0,0,2,0,0|2,0,0]=4 16847 B17R2.103529 CCCCCN1CCN2C(=O)COC[C@@H]2C1 2230a_100025709426_100000210326 [0,0,0,2,0,0|2,0,0]=4 16848 B17R2.103529 CCCCCN1CCN2C(=O)COC[C@@H]2C1 269982a_100025709426_100000210215 [0,0,0,2,0,0|2,0,0]=4 16849 B17R2.103529 CCCCCN1CCN2C(=O)COC[C@@H]2C1 34a_100025709426_100000718602 [0,0,0,2,0,0|2,0,0]=4 16850 B17R2.6255 CCNC(=O)[C@@H]1CCCN1C2CCOC2C 270004a_100020641767_100000691750 [0,0,0,2,0,0|2,0,0]=4 16851 B17R2.6255 CCNC(=O)[C@@H]1CCCN1[C@@H]2CCC[C@H]2O 269982a_100020641767_200016002552 [0,0,0,2,0,0|2,0,0]=4 16852 B17R2.295309 O=C(CNCCC1CCCCCC1)C2CC2 2230a_100011532351_100000746382 [0,0,0,2,0,0|2,0,0]=4 16853 B17R2.295309 O=C(CNCCC1CCCCCC1)C2CC2 34a_100011532351_100000746382 [0,0,0,2,0,0|2,0,0]=4 16854 B17R2.50431 CCNC(=O)[C@@H]1CCCN1CCCC2CO2 2230a_100020641767_100000733510 [0,0,0,2,0,0|2,0,0]=4 16855 B17R2.50431 CCNC(=O)[C@@H]1CCCN1CCCC2CO2 269982a_100020641767_100000733510 [0,0,0,2,0,0|2,0,0]=4 16856 B17R2.50431 CCNC(=O)[C@@H]1CCCN1CCCC2CO2 34a_100020641767_100000733510 [0,0,0,2,0,0|2,0,0]=4 16857 B17R2.50431 CCOC(=O)[C@@H]1CCC[C@@H]1OCCC2CC2 7a_200015395474_100000764125 [0,0,0,2,0,0|2,0,0]=4