0 B10R0.97 C=C(Br)CCOCCC(=O)N 34a_100009813270_100000731001 [0,0,0,0,0,0|3,1,0]=4 1 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,0,0,0,0,0|3,1,0]=4 3 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,0,0,0,0,0|3,1,0]=4 4 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,0,0,0,0,0|3,1,0]=4 5 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,0,0,0,0,0|3,1,0]=4 6 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,0,0,0,0,0|3,1,0]=4 7 B10R0.97 C=C(C)CCSCCC(=C)C 62a_100000730704_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,0,0,0,0,0|3,0,0]=3 12 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,0,0,0,0,0|3,0,1]=4 13 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,0,0,0,0,0|3,0,1]=4 14 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000744528_100000761012 [0,0,0,0,0,0|3,0,1]=4 17 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000761012_100000744528 [0,0,0,0,0,0|3,0,1]=4 18 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,0,0,0,0|3,0,0]=3 20 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,0,0,0,0,0|3,0,1]=4 28 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,0,0,0,0,0|3,0,1]=4 31 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,0,0,0,0|3,0,0]=3 33 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,0,0,0,0,0|2,1,0]=3 34 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,0,0,0,0,0|2,1,0]=3 35 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,0,0,0,0,0|2,1,0]=3 36 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,0,0,0,0,0|2,1,0]=3 37 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,0,0,0,0,0|2,1,1]=4 38 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,0,0,0,0,0|2,1,1]=4 39 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,0,0,0,0,0|3,1,0]=4 40 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,0,0,0,0,0|3,0,1]=4 41 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,0,0,0,0,0|3,0,1]=4 42 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,0,0,0,0,0|2,0,0]=2 43 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,0,0,0,0,0|2,0,0]=2 44 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,0,0,0,0,0|2,0,0]=2 45 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,0,0,0,0,0|3,0,1]=4 46 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,0,0,0,0,0|3,0,1]=4 47 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,0,0,0,0,0|2,0,1]=3 48 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,0,0,0,0,0|2,0,1]=3 49 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,0,0,0,0,0|4,0,0]=4 50 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,0,0,0,0,0|3,0,0]=3 51 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,0,0,0,0,0|3,0,0]=3 52 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,0,0,0,0,0|4,0,0]=4 53 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,0,0,0,0,0|4,0,0]=4 55 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,0,0,0,0,0|4,0,0]=4 56 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,0,0,0,0,0|4,0,0]=4 57 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,0,0,0,0|4,0,0]=4 58 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,0,0,0,0|4,0,0]=4 59 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,0,0,0,0,0|3,1,0]=4 61 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,0,0,0,0,0|3,0,0]=3 62 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,0,0,0,0,0|3,0,0]=3 63 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,0,0,0,0,0|2,1,1]=4 72 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,0,0,0,0,0|2,1,1]=4 73 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,0,0,0,0,0|2,0,1]=3 75 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.97 NC(=O)CCCNCC(=O)N 34a_100000739312_100000187820 [0,0,0,0,0,0|4,0,0]=4 78 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,0,0,0,0|3,0,0]=3 79 B10R0.97 NC(=O)CCCNCC(=O)[O-] 34a_100000739312_100020667443 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100000747473_100102525003 [0,0,0,0,0,0|4,0,0]=4 81 B10R0.97 NC(=O)CCCSCC(=O)N 62a_100102525003_100000747473 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100020667443_100102525003 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.97 NC(=O)CCCSCC(=O)[O-] 62a_100102525003_100020667443 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.97 NC(=O)CCNOCC(=O)O 269956a_100000106656_100000744528 [0,0,0,0,0,0|3,0,0]=3 85 B10R0.97 NC(=O)CCOCCC(=O)N 34a_100000757172_100000731001 [0,0,0,0,0,0|2,1,0]=3 86 B10R0.97 NC(=O)CCOCCC(=O)N 7a_100000757172_100000744528 [0,0,0,0,0,0|2,1,0]=3 87 B10R0.97 NC(=O)CCSCCC(=O)N 62a_100000744528_100000744528 [0,0,0,0,0,0|2,0,0]=2 88 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,0,0,0,0|4,0,0]=4 89 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [1,0,0,0,0,0|2,0,1]=4 91 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [1,0,0,0,0,0|2,0,1]=4 92 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [1,0,0,0,0,0|2,0,1]=4 93 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [1,0,0,0,0,0|2,0,1]=4 94 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,0,0,0,0,0|2,0,1]=4 99 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,0,0,0,0,0|2,0,1]=4 100 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|3,0,0]=4 101 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|3,0,0]=4 102 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|3,0,0]=4 103 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [1,0,0,0,0,0|3,0,0]=4 106 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,0,0,0,0,0|2,1,0]=4 107 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,0,0,0,0,0|2,1,0]=4 108 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [1,0,0,0,0,0|2,1,0]=4 109 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [1,0,0,0,0,0|2,1,0]=4 110 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [1,0,0,0,0,0|2,1,0]=4 111 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [1,0,0,0,0,0|3,0,0]=4 112 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [1,0,0,0,0,0|3,0,0]=4 113 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,0,0,0,0,0|2,0,0]=3 114 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,0,0,0,0,0|2,0,0]=3 115 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [1,0,0,0,0,0|2,0,0]=3 116 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [1,0,0,0,0,0|2,0,0]=3 117 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [1,0,0,0,0,0|2,0,1]=4 118 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [1,0,0,0,0,0|2,0,1]=4 119 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [1,0,0,0,0,0|3,0,0]=4 120 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [1,0,0,0,0,0|3,0,0]=4 121 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|2,0,1]=4 122 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|2,0,1]=4 123 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,0,0,0,0|3,0,0]=4 124 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,0,0,0,0|3,0,0]=4 125 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|1,1,1]=4 128 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|1,1,1]=4 129 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [1,0,0,0,0,0|2,0,1]=4 130 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [1,0,0,0,0,0|2,0,1]=4 131 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|2,0,1]=4 132 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|2,0,1]=4 133 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|1,0,1]=3 134 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|1,0,1]=3 135 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|2,0,1]=4 137 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,0,0,0,0,0|1,0,2]=4 138 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,0,0,0,0,0|1,0,2]=4 139 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,0,0,0,0,0|2,0,1]=4 140 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,1]=4 146 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,1]=4 147 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|3,0,0]=4 148 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|3,0,0]=4 149 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|3,0,0]=4 150 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|3,0,0]=4 151 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|3,0,0]=4 152 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|3,0,0]=4 153 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|3,0,0]=4 154 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|3,0,0]=4 155 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [1,0,0,0,0,0|2,0,1]=4 156 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [1,0,0,0,0,0|2,0,1]=4 157 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [1,0,0,0,0,0|3,0,0]=4 158 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [1,0,0,0,0,0|3,0,0]=4 159 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [1,0,0,0,0,0|3,0,0]=4 160 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|1,1,1]=4 161 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|1,1,1]=4 162 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|2,0,1]=4 163 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|2,0,1]=4 164 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|1,0,1]=3 165 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|1,0,1]=3 166 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [1,0,0,0,0,0|3,0,0]=4 167 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [1,0,0,0,0,0|3,0,0]=4 168 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [1,0,0,0,0,0|3,0,0]=4 169 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|2,0,1]=4 170 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,0,0,0,0,0|2,0,1]=4 171 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,0,0,0,0|2,0,0]=3 172 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [1,0,0,0,0,0|2,0,1]=4 173 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [1,0,0,0,0,0|2,0,1]=4 174 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100000053229_100009818208 [0,1,0,0,0,0|3,0,0]=4 177 B11R0.6 CC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000053229 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100000744528_100009818208 [0,1,0,0,0,0|3,0,0]=4 179 B11R0.6 CC(=O)OC(C)SCCC(=O)N 62a_100009818208_100000744528 [0,1,0,0,0,0|3,0,0]=4 180 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,1,0,0,0,0|3,0,0]=4 181 B11R0.6 CN(CCCC(=O)O)CC(=O)N 269956a_100000719178_100000187820 [0,1,0,0,0,0|3,0,0]=4 182 B11R0.6 CN(CCCC(=O)O)CC(=O)[O-] 269956a_100000719178_100020667443 [0,1,0,0,0,0|2,0,1]=4 183 B11R0.6 NC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000187820 [0,1,0,0,0,0|3,0,0]=4 184 B11R0.6 O=C([O-])CNCC(O)CC(=O)O 269956a_100011218706_100020667443 [0,1,0,0,0,0|2,0,1]=4 185 B11R0.29 C=C(C)CCNCC(C)C(=O)O 269956a_100000749485_100000730704 [0,1,0,0,0,0|3,0,0]=4 186 B11R0.29 C=C(C)CCNCC(F)C(=O)O 269956a_100000084737_100000730704 [0,1,0,0,0,0|3,0,0]=4 187 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100000744528_100011261029 [0,1,0,0,0,0|2,0,1]=4 188 B11R0.29 CC(=O)C(=O)CSCCC(=O)N 62a_100011261029_100000744528 [0,1,0,0,0,0|2,0,1]=4 189 B11R0.29 CC(=O)C(C)COCCC(=O)N 34a_100000032740_100000731001 [0,1,0,0,0,0|2,1,0]=4 190 B11R0.29 CC(=O)C(C)COCCC(=O)N 7a_100000032740_100000744528 [0,1,0,0,0,0|2,1,0]=4 191 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,0,0,0,0|2,0,0]=3 193 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,1,0,0,0,0|2,0,0]=3 194 B11R0.29 CC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000053229 [0,1,0,0,0,0|2,1,0]=4 195 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100000053229_100011261029 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.29 CC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000053229 [0,1,0,0,0,0|2,0,1]=4 197 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,1,0,0,0,0|3,0,0]=4 198 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,1,0,0,0,0|3,0,0]=4 199 B11R0.29 CC(CNCCC(=O)N)C(=O)O 269956a_100000749485_100000744528 [0,1,0,0,0,0|2,0,0]=3 200 B11R0.29 CC(O)CCNCC(C)C(=O)O 269956a_100000749485_100012276601 [0,1,0,0,0,0|2,0,1]=4 201 B11R0.29 CC(O)CCNCC(F)C(=O)O 269956a_100000084737_100012276601 [0,1,0,0,0,0|2,0,1]=4 202 B11R0.29 C[C@H](NCCCC(=O)N)C(=O)O 269956a_100000743915_100102525003 [0,1,0,0,0,0|3,0,0]=4 203 B11R0.29 NC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000744528 [0,1,0,0,0,0|2,0,0]=3 204 B11R0.29 NC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000731001 [0,1,0,0,0,0|2,1,0]=4 205 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000053229_100000702414 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000702414_100000053229 [0,1,0,0,0,0|2,0,1]=4 207 B11R0.31 CC(=O)CCSCCS(=O)(=O)C 62a_100000053229_100000230027 [0,1,0,0,0,0|2,0,1]=4 208 B11R0.31 CC(=O)CCSCCS(=O)(=O)C 62a_100000731031_100000053229 [0,1,0,0,0,0|2,0,1]=4 209 B11R0.31 CC(=O)CCSCCS(=O)(=O)[O-] 62a_100000053229_100000762736 [0,1,0,0,0,0|2,0,1]=4 210 B11R0.31 CC(=O)CCSCCS(=O)(=O)[O-] 62a_100000762736_100000053229 [0,1,0,0,0,0|2,0,1]=4 211 B11R0.31 CC(C)(O)CCSCCC(=O)N 62a_100000702414_100000744528 [0,1,0,0,0,0|2,0,1]=4 212 B11R0.31 CC(C)(O)CCSCCC(=O)N 62a_100000744528_100000702414 [0,1,0,0,0,0|2,0,1]=4 213 B11R0.31 CS(=O)(=O)CCSCCC(=O)N 62a_100000731031_100000744528 [0,1,0,0,0,0|2,0,1]=4 214 B11R0.31 CS(=O)(=O)CCSCCC(=O)N 62a_100000744528_100000230027 [0,1,0,0,0,0|2,0,1]=4 215 B11R0.31 NC(=O)CCSCCS(=O)(=O)[O-] 62a_100000744528_100000762736 [0,1,0,0,0,0|2,0,1]=4 216 B11R0.31 NC(=O)CCSCCS(=O)(=O)[O-] 62a_100000762736_100000744528 [0,1,0,0,0,0|2,0,1]=4 217 B11R0.85 CN(CCC(=O)N)CCC(=O)N 2230a_100000730477_100000744528 [0,1,0,0,0,0|3,0,0]=4 218 B11R0.111 C#CC(=O)CCCCCC(=O)N 1458a_100000211873_100009817443 [0,1,0,0,0,0|3,0,0]=4 219 B11R0.111 C=C(Br)CCOCCC(=O)OC 34a_100009813270_100000742370 [0,1,0,0,0,0|2,1,0]=4 220 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,1,0,0,0,0|2,1,0]=4 221 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000730704_100000737683 [0,1,0,0,0,0|3,0,0]=4 222 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000737683_100000730704 [0,1,0,0,0,0|3,0,0]=4 223 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,1,0,0,0,0|2,0,0]=3 224 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,1,0,0,0,0|2,0,0]=3 225 B11R0.111 C=C(C)CCSCOC(=O)OC 62a_100000730704_100000139417 [0,1,0,0,0,0|3,0,0]=4 226 B11R0.111 C=CC(=O)CCCCCC(=O)N 1458a_100000185746_100009817443 [0,1,0,0,0,0|3,0,0]=4 227 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,0,0,0,0|3,0,0]=4 228 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,0,0,0,0|3,0,0]=4 229 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,0|3,0,0]=4 230 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,1,0,0,0,0|3,0,0]=4 231 B11R0.111 CNC(=O)CCNCCC(=O)N 2230a_100000738227_100000744528 [0,1,0,0,0,0|3,0,0]=4 232 B11R0.111 CNC(=O)CCNCCC(=O)N 34a_100000738227_100000731001 [0,1,0,0,0,0|3,0,0]=4 233 B11R0.111 CNC(=O)CCNOCC(=O)O 269956a_100000106656_100000737683 [0,1,0,0,0,0|3,0,0]=4 234 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,1,0,0,0,0|2,1,0]=4 235 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,1,0,0,0,0|2,1,0]=4 236 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000754576_100000731001 [0,1,0,0,0,0|2,1,0]=4 237 B11R0.111 CNC(=O)CCOCCC(=O)N 34a_100000757172_100012179268 [0,1,0,0,0,0|2,1,0]=4 238 B11R0.111 CNC(=O)CCOCCC(=O)N 7a_100000757172_100000737683 [0,1,0,0,0,0|2,1,0]=4 239 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,1,0,0,0,0|2,0,0]=3 240 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,1,0,0,0,0|2,0,0]=3 241 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000737683_100000744528 [0,1,0,0,0,0|2,0,0]=3 242 B11R0.111 CNC(=O)CCSCCC(=O)N 62a_100000744528_100000737683 [0,1,0,0,0,0|2,0,0]=3 243 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,1,0,0,0,0|2,0,1]=4 244 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,1,0,0,0,0|2,0,1]=4 245 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000076356_100000737683 [0,1,0,0,0,0|3,0,0]=4 246 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000737683_100000076356 [0,1,0,0,0,0|3,0,0]=4 247 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|2,0,0]=3 248 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|2,0,0]=3 249 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|2,0,0]=3 250 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,0,0,0,0|3,0,0]=4 251 B11R0.111 COC(=O)CCCNCC(=O)N 2230a_100000711301_100011218270 [0,1,0,0,0,0|3,0,0]=4 252 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,0,0,0,0|2,0,0]=3 253 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,1,0,0,0,0|3,0,0]=4 254 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100000747473_100011218270 [0,1,0,0,0,0|3,0,0]=4 255 B11R0.111 COC(=O)CCCSCC(=O)N 62a_100011218270_100000747473 [0,1,0,0,0,0|3,0,0]=4 256 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100011218270_100020667443 [0,1,0,0,0,0|2,0,1]=4 257 B11R0.111 COC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011218270 [0,1,0,0,0,0|2,0,1]=4 258 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,0|2,0,1]=4 259 B11R0.111 COC(=O)CCNOCC(=O)O 269956a_100000106656_100000204255 [0,1,0,0,0,0|2,0,0]=3 260 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,1,0,0,0,0|1,1,0]=3 261 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,1,0,0,0,0|1,1,0]=3 262 B11R0.111 COC(=O)CCOCCC(=O)N 34a_100000757172_100000742370 [0,1,0,0,0,0|1,1,0]=3 263 B11R0.111 COC(=O)CCOCCC(=O)N 7a_100000757172_100000204255 [0,1,0,0,0,0|1,1,0]=3 264 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000204255_100000761012 [0,1,0,0,0,0|2,0,1]=4 265 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000761012_100000204255 [0,1,0,0,0,0|2,0,1]=4 266 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,1,0,0,0,0|1,0,0]=2 267 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,1,0,0,0,0|1,0,0]=2 268 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000204255_100000744528 [0,1,0,0,0,0|1,0,0]=2 269 B11R0.111 COC(=O)CCSCCC(=O)N 62a_100000744528_100000204255 [0,1,0,0,0,0|1,0,0]=2 270 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,1,0,0,0,0|2,0,1]=4 271 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,1,0,0,0,0|2,0,1]=4 272 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,0|1,0,1]=3 273 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,0|1,0,1]=3 274 B11R0.111 COC(=O)CCSCCN(C)C 62a_100000204255_100000755713 [0,1,0,0,0,0|3,0,0]=4 275 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,1,0,0,0,0|2,0,0]=3 276 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,1,0,0,0,0|2,0,0]=3 277 B11R0.111 COC(=O)CNCCCC(=O)N 34a_100000739312_100000747449 [0,1,0,0,0,0|3,0,0]=4 278 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,0,0,0,0|3,0,0]=4 279 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,0,0,0,0|3,0,0]=4 280 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,0,0,0,0|3,0,0]=4 281 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,0,0,0,0|3,0,0]=4 282 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100000747449_100102525003 [0,1,0,0,0,0|3,0,0]=4 283 B11R0.111 COC(=O)CSCCCC(=O)N 62a_100102525003_100000747449 [0,1,0,0,0,0|3,0,0]=4 284 B11R0.111 COC(=O)OCSCCC(=O)C 62a_100000053229_100000139417 [0,1,0,0,0,0|2,0,0]=3 285 B11R0.111 COC(=O)OCSCCC(=O)N 62a_100000744528_100000139417 [0,1,0,0,0,0|2,0,0]=3 286 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,1,0,0,0,0|2,0,1]=4 287 B11R0.111 COC(=O)OCSCOC(=O)C 62a_100000076356_100000139417 [0,1,0,0,0,0|3,0,0]=4 288 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,0,0,0,0|2,0,0]=3 289 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [0,1,0,0,0,0|3,0,0]=4 290 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [0,1,0,0,0,0|3,0,0]=4 291 B11R0.111 NC(=O)CCOCCC(=NO)N 34a_100000749954_100000731001 [0,1,0,0,0,0|2,1,0]=4 292 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.154 C=C(C)CCSC1CC(=O)C1 62a_100009894365_100000730704 [0,0,0,1,0,0|3,0,0]=4 294 B11R1.154 CC(=O)CCSC1CC(=O)C1 62a_100009894365_100000053229 [0,0,0,1,0,0|2,0,0]=3 295 B11R1.154 CC(=O)OCSC1CC(=O)C1 62a_100009894365_100000076356 [0,0,0,1,0,0|3,0,0]=4 296 B11R1.154 CC(O)CCSC1CC(=O)C1 62a_100009894365_100012276601 [0,0,0,1,0,0|2,0,1]=4 297 B11R1.154 NC(=O)CCSC1CC(=O)C1 62a_100009894365_100000744528 [0,0,0,1,0,0|2,0,0]=3 298 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,0,0,1,0,0|3,0,0]=4 299 B11R1.154 O=C(O)CONC1CC(=O)C1 269956a_100000106656_100009894365 [0,0,0,1,0,0|3,0,0]=4 300 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,0,0,1,0,0|2,0,1]=4 301 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,0,0,1,0,0|2,0,1]=4 302 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000732470_100000744528 [0,0,0,1,0,0|2,0,1]=4 303 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000744528_100000732470 [0,0,0,1,0,0|2,0,1]=4 304 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)[13CH3] 1458a_100011417960_200025704644 [0,0,0,1,0,0|3,0,0]=4 305 B11R1.178 CC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_200000210301 [0,0,0,1,0,0|3,0,0]=4 306 B11R1.708 NC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000187820 [0,0,0,1,0,0|3,0,0]=4 307 B11R1.708 O=C([O-])CN1CCC1C(=O)O 269956a_100000021838_100020667443 [0,0,0,1,0,0|2,0,1]=4 308 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,1,0|3,0,0]=4 309 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,0,0,0,1,0|3,0,0]=4 310 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,0,0,0,1,0|3,0,0]=4 311 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,0,0,0,1,0|2,0,1]=4 312 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,0,0,0,1,0|2,0,1]=4 313 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,0,0,0,1,0|3,0,0]=4 314 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,0,0,0,1,0|3,0,0]=4 315 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,0,0,0,1,0|3,0,0]=4 316 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,0,0,0,1,0|3,0,0]=4 317 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,0,0,0,1,0|3,0,0]=4 318 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,0,0,0,1,0|3,0,0]=4 319 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [0,0,0,0,1,0|3,0,0]=4 320 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [0,0,0,0,1,0|3,0,0]=4 321 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,0,0,0,1,0|2,0,1]=4 322 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,1,0|2,0,0]=3 323 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,1,0|3,0,0]=4 324 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,1,0|3,0,0]=4 325 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,1,0|3,0,0]=4 326 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,1,0|2,0,0]=3 327 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,1,0|2,1,0]=4 328 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,1,0|2,1,0]=4 329 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,1,0|2,1,0]=4 330 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,1,0|1,1,1]=4 331 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,1,0|2,0,0]=3 332 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,1,0|2,0,0]=3 333 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,1,0|2,0,0]=3 334 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,1,0|1,0,1]=3 335 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,1,0|1,0,1]=3 336 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,1,0|2,0,1]=4 337 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,1,0|2,0,1]=4 338 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,1,0|2,0,1]=4 339 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,1,0|2,0,1]=4 340 B9R0.55 CC(=O)CCSC[N+](=O)[O-] 62a_100000053229_100000761209 [0,0,0,0,1,0|2,0,1]=4 341 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,1,0|2,1,0]=4 342 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,1,0|3,0,0]=4 343 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,1,0|3,0,0]=4 344 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,1,0|3,0,0]=4 345 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,1,0|3,0,0]=4 346 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,0,0,1,0|3,0,0]=4 347 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,0,0,1,0|3,0,0]=4 348 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,0,0,0,1,0|2,0,1]=4 349 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,0,0,0,1,0|2,0,1]=4 350 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,1,0|2,0,1]=4 351 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,0,0,1,0|2,0,1]=4 352 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,0,0,1,0|2,0,1]=4 353 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,0,0,1,0|1,0,2]=4 354 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,0,0,1,0|1,0,2]=4 355 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,0,0,1,0|2,0,1]=4 356 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,0,0,1,0|2,0,1]=4 357 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,0,0,1,0|2,0,1]=4 358 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,0,0,1,0|2,0,1]=4 359 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,0,0,1,0|3,0,0]=4 360 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,1,0|2,0,0]=3 361 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,0,0,1,0|2,1,0]=4 362 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,0,0,1,0|2,1,0]=4 363 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,0,0,1,0|1,1,1]=4 364 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,0,0,1,0|2,0,0]=3 365 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,0,0,1,0|2,0,0]=3 366 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,0,0,1,0|1,0,1]=3 367 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,0,0,1,0|1,0,1]=3 368 B9R0.55 NC(=O)CCSC[N+](=O)[O-] 62a_100000744528_100000761209 [0,0,0,0,1,0|2,0,1]=4 369 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,1,0|2,1,0]=4 370 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,1,0|1,1,1]=4 371 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,1,0|2,0,0]=3 372 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,0,0,0,0,1|3,0,0]=4 373 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,0,0,0,0,1|3,0,0]=4 374 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [0,0,0,0,0,1|3,0,0]=4 375 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [0,0,0,0,0,1|3,0,0]=4 376 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000189650_100000730704 [0,0,0,0,0,1|3,0,0]=4 377 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000730704_100000189650 [0,0,0,0,0,1|3,0,0]=4 378 B11R0.30 C=C(C)CCSCCNC(=O)N 62a_100000730704_200000034859 [0,0,0,0,0,1|3,0,0]=4 379 B11R0.30 C=C(C)CCSCCNC(=O)N 62a_200000034859_100000730704 [0,0,0,0,0,1|3,0,0]=4 380 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [0,0,0,0,0,1|3,0,0]=4 381 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [0,0,0,0,0,1|3,0,0]=4 382 B11R0.30 C=C(C)CCSCCOC(=O)N 62a_100000730704_200011214921 [0,0,0,0,0,1|3,0,0]=4 383 B11R0.30 C=C(C)CCSCCOC(=O)N 62a_200011214921_100000730704 [0,0,0,0,0,1|3,0,0]=4 384 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100000744528_100011217483 [0,0,0,0,0,1|3,0,0]=4 385 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100011217483_100000744528 [0,0,0,0,0,1|3,0,0]=4 386 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,0,0,0,0,1|3,0,0]=4 387 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,0,0,0,0,1|3,0,0]=4 388 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,0,0,0,1|2,0,0]=3 389 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,0,0,0,0,1|3,0,0]=4 390 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,0,0,0,1|3,0,0]=4 391 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,0,0,0,1|3,0,0]=4 392 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,0,0,0,0,1|2,0,1]=4 393 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,0,0,0,0,1|2,0,1]=4 394 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,0,0,0,1|3,0,0]=4 395 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,0,0,0,0,1|2,1,0]=4 396 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,0,0,0,0,1|2,1,0]=4 397 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,0,0,0,0,1|2,1,0]=4 398 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,0,0,0,0,1|2,1,0]=4 399 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,0,0,0,0,1|2,1,0]=4 400 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,0,0,0,0,1|2,1,0]=4 401 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,0,0,0,0,1|2,1,0]=4 402 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,0,0,0,0,1|2,0,0]=3 403 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,0,0,0,0,1|2,0,0]=3 404 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,0,0,0,0,1|2,0,0]=3 405 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,0,0,0,0,1|2,0,0]=3 406 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,0,0,0,0,1|2,0,1]=4 407 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,0,0,0,0,1|2,0,1]=4 408 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,0,0,0,0,1|3,0,0]=4 409 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,0,0,0,0,1|3,0,0]=4 410 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,0,0,0,0,1|2,1,0]=4 411 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,0,0,0,0,1|2,1,0]=4 412 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,0,0,0,0,1|2,1,0]=4 413 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [0,0,0,0,0,1|2,1,0]=4 414 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,0,0,0,0,1|2,1,0]=4 415 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,0,0,0,0,1|2,1,0]=4 416 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,0,0,0,0,1|2,1,0]=4 417 B11R0.30 CC(=O)CCOCCOC(=O)N 34a_100000759926_200011214921 [0,0,0,0,0,1|2,1,0]=4 418 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000759926_200011214921 [0,0,0,0,0,1|2,1,0]=4 419 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000766696_100000053229 [0,0,0,0,0,1|2,1,0]=4 420 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100000053229_100011217483 [0,0,0,0,0,1|3,0,0]=4 421 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100011217483_100000053229 [0,0,0,0,0,1|3,0,0]=4 422 B11R0.30 CC(=O)CCSCCC=C(F)F 62a_100000053229_200009816681 [0,0,0,0,0,1|3,0,0]=4 423 B11R0.30 CC(=O)CCSCCC=C(F)F 62a_200009816681_100000053229 [0,0,0,0,0,1|3,0,0]=4 424 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,0,0,0,0,1|2,0,0]=3 425 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,0,0,0,0,1|2,0,0]=3 426 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,0,0,0,0,1|2,0,1]=4 427 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,0,0,0,0,1|2,0,1]=4 428 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,0,0,0,0,1|2,0,0]=3 429 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,0,0,0,0,1|2,0,0]=3 430 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [0,0,0,0,0,1|2,0,0]=3 431 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [0,0,0,0,0,1|2,0,0]=3 432 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,0,0,0,0,1|2,0,0]=3 433 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,0,0,0,0,1|2,0,0]=3 434 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_100000053229_200011214921 [0,0,0,0,0,1|2,0,0]=3 435 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_200011214921_100000053229 [0,0,0,0,0,1|2,0,0]=3 436 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,0,0,0,0,1|3,0,0]=4 437 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [0,0,0,0,0,1|3,0,0]=4 438 B11R0.30 CC(=O)NCCNOCC(=O)O 269956a_100000106656_100000189650 [0,0,0,0,0,1|3,0,0]=4 439 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [0,0,0,0,0,1|2,1,0]=4 440 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [0,0,0,0,0,1|2,1,0]=4 441 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [0,0,0,0,0,1|2,0,0]=3 442 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [0,0,0,0,0,1|2,0,0]=3 443 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,0,0,0,0,1|2,0,1]=4 444 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,0,0,0,0,1|2,0,1]=4 445 B11R0.30 CC(=O)NCCSCOC(=O)C 62a_100000076356_100000189650 [0,0,0,0,0,1|3,0,0]=4 446 B11R0.30 CC(=O)NCCSCOC(=O)C 62a_100000189650_100000076356 [0,0,0,0,0,1|3,0,0]=4 447 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,0,0,0,0,1|3,0,0]=4 448 B11R0.30 CC(=O)OCCNOCC(=O)O 269956a_100000106656_100009814007 [0,0,0,0,0,1|3,0,0]=4 449 B11R0.30 CC(=O)OCCOCCC(=O)N 34a_100000757172_100009814007 [0,0,0,0,0,1|2,1,0]=4 450 B11R0.30 CC(=O)OCCOCCC(=O)N 7a_100000757172_100009814007 [0,0,0,0,0,1|2,1,0]=4 451 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100000744528_100009814007 [0,0,0,0,0,1|2,0,0]=3 452 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100009814007_100000744528 [0,0,0,0,0,1|2,0,0]=3 453 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,0,0,0,0,1|2,0,1]=4 454 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,0,0,0,0,1|2,0,1]=4 455 B11R0.30 CC(=O)OCCSCOC(=O)C 62a_100000076356_100009814007 [0,0,0,0,0,1|3,0,0]=4 456 B11R0.30 CC(=O)OCCSCOC(=O)C 62a_100009814007_100000076356 [0,0,0,0,0,1|3,0,0]=4 457 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100000076356_100102525003 [0,0,0,0,0,1|3,0,0]=4 458 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100102525003_100000076356 [0,0,0,0,0,1|3,0,0]=4 459 B11R0.30 CC(=O)OCSCCNC(=O)N 62a_100000076356_200000034859 [0,0,0,0,0,1|3,0,0]=4 460 B11R0.30 CC(=O)OCSCCNC(=O)N 62a_200000034859_100000076356 [0,0,0,0,0,1|3,0,0]=4 461 B11R0.30 CC(=O)OCSCCOC(=O)N 62a_100000076356_200011214921 [0,0,0,0,0,1|3,0,0]=4 462 B11R0.30 CC(=O)OCSCCOC(=O)N 62a_200011214921_100000076356 [0,0,0,0,0,1|3,0,0]=4 463 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,0,0,0,0,1|3,0,0]=4 464 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,0,0,0,0,1|2,0,1]=4 465 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,0,0,0,0,1|2,0,1]=4 466 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,0,0,0,0,1|2,0,1]=4 467 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,0,0,0,0,1|2,0,1]=4 468 B11R0.30 CC(O)CCSCCNC(=O)N 62a_100012276601_200000034859 [0,0,0,0,0,1|2,0,1]=4 469 B11R0.30 CC(O)CCSCCNC(=O)N 62a_200000034859_100012276601 [0,0,0,0,0,1|2,0,1]=4 470 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [0,0,0,0,0,1|2,0,1]=4 471 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [0,0,0,0,0,1|2,0,1]=4 472 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,0,0,0,0,1|3,0,0]=4 473 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,0,0,0,0,1|2,0,1]=4 474 B11R0.30 NC(=O)CCCCOCC(=O)N 34a_100012022536_100000187820 [0,0,0,0,0,1|3,0,0]=4 475 B11R0.30 NC(=O)CCCCOCC(=O)N 7a_100012022536_100000187820 [0,0,0,0,0,1|3,0,0]=4 476 B11R0.30 NC(=O)CCCCOCC(=O)[O-] 34a_100012022536_100020667443 [0,0,0,0,0,1|2,0,1]=4 477 B11R0.30 NC(=O)CCCNCCC(=O)N 34a_100000739312_100000731001 [0,0,0,0,0,1|3,0,0]=4 478 B11R0.30 NC(=O)CCCNOCC(=O)O 269956a_100000106656_100102525003 [0,0,0,0,0,1|3,0,0]=4 479 B11R0.30 NC(=O)CCCOCCC(=O)N 34a_100000757172_100102525003 [0,0,0,0,0,1|2,1,0]=4 480 B11R0.30 NC(=O)CCCOCCC(=O)N 7a_100000757172_100102525003 [0,0,0,0,0,1|2,1,0]=4 481 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100000744528_100102525003 [0,0,0,0,0,1|2,0,0]=3 482 B11R0.30 NC(=O)CCCSCCC(=O)N 62a_100102525003_100000744528 [0,0,0,0,0,1|2,0,0]=3 483 B11R0.30 NC(=O)CCNCCNC(=O)N 34a_100020590234_100000731001 [0,0,0,0,0,1|3,0,0]=4 484 B11R0.30 NC(=O)CCOCCNC(=O)N 34a_100000181757_100000731001 [0,0,0,0,0,1|2,1,0]=4 485 B11R0.30 NC(=O)CCOCCNC(=O)N 7a_100000757172_200000034859 [0,0,0,0,0,1|2,1,0]=4 486 B11R0.30 NC(=O)CCOCCOC(=O)N 34a_100000757172_200011214921 [0,0,0,0,0,1|2,1,0]=4 487 B11R0.30 NC(=O)CCOCCOC(=O)N 7a_100000757172_200011214921 [0,0,0,0,0,1|2,1,0]=4 488 B11R0.30 NC(=O)CCOCCOC(=O)N 7a_100000766696_100000744528 [0,0,0,0,0,1|2,1,0]=4 489 B11R0.30 NC(=O)CCSCCC=C(F)F 62a_100000744528_200009816681 [0,0,0,0,0,1|3,0,0]=4 490 B11R0.30 NC(=O)CCSCCC=C(F)F 62a_200009816681_100000744528 [0,0,0,0,0,1|3,0,0]=4 491 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_100000744528_200000034859 [0,0,0,0,0,1|2,0,0]=3 492 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_200000034859_100000744528 [0,0,0,0,0,1|2,0,0]=3 493 B11R0.30 NC(=O)CCSCCOC(=O)N 62a_100000744528_200011214921 [0,0,0,0,0,1|2,0,0]=3 494 B11R0.30 NC(=O)CCSCCOC(=O)N 62a_200011214921_100000744528 [0,0,0,0,0,1|2,0,0]=3 495 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [0,0,0,0,0,1|3,0,0]=4 496 B11R0.30 NC(=O)COCCNCC(=O)O 269956a_100016091260_100000076697 [0,0,0,0,0,1|3,0,0]=4 497 B11R0.30 NC(=O)NCCNOCC(=O)O 269956a_100000106656_200000034859 [0,0,0,0,0,1|3,0,0]=4 498 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,0,0,0,0,1|2,0,1]=4 499 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [0,0,0,0,0,1|2,0,1]=4 500 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [2,0,0,0,0,0|2,0,0]=4 501 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [2,0,0,0,0,0|1,0,1]=4 502 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [2,0,0,0,0,0|1,0,1]=4 503 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [2,0,0,0,0,0|2,0,0]=4 504 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [2,0,0,0,0,0|2,0,0]=4 505 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|0,0,2]=4 506 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [2,0,0,0,0,0|2,0,0]=4 507 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [2,0,0,0,0,0|2,0,0]=4 508 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [2,0,0,0,0,0|2,0,0]=4 509 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [2,0,0,0,0,0|2,0,0]=4 510 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|2,0,0]=4 511 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|2,0,0]=4 512 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|2,0,0]=4 513 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [2,0,0,0,0,0|2,0,0]=4 514 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [2,0,0,0,0,0|2,0,0]=4 515 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [2,0,0,0,0,0|2,0,0]=4 516 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [2,0,0,0,0,0|1,0,1]=4 517 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [2,0,0,0,0,0|1,0,1]=4 518 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [2,0,0,0,0,0|1,0,1]=4 519 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [2,0,0,0,0,0|1,0,1]=4 520 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [2,0,0,0,0,0|1,0,1]=4 521 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [2,0,0,0,0,0|1,0,1]=4 522 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,1]=4 523 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 524 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [2,0,0,0,0,0|1,1,0]=4 525 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [2,0,0,0,0,0|1,1,0]=4 526 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|1,1,0]=4 527 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|1,1,0]=4 528 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|1,1,0]=4 529 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|1,1,0]=4 530 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [2,0,0,0,0,0|1,0,0]=3 531 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [2,0,0,0,0,0|1,0,0]=3 532 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 533 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 534 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|1,0,0]=3 535 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|1,0,0]=3 536 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [2,0,0,0,0,0|2,0,0]=4 537 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [2,0,0,0,0,0|2,0,0]=4 538 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [2,0,0,0,0,0|2,0,0]=4 539 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [2,0,0,0,0,0|2,0,0]=4 540 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [2,0,0,0,0,0|1,0,1]=4 541 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [2,0,0,0,0,0|1,0,1]=4 542 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [2,0,0,0,0,0|1,0,1]=4 543 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [2,0,0,0,0,0|1,0,1]=4 544 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,1]=4 545 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,1]=4 546 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|1,0,1]=4 547 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|1,0,1]=4 548 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [2,0,0,0,0,0|2,0,0]=4 549 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [2,0,0,0,0,0|2,0,0]=4 550 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [2,0,0,0,0,0|1,1,0]=4 551 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [2,0,0,0,0,0|1,1,0]=4 552 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [2,0,0,0,0,0|1,1,0]=4 553 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [2,0,0,0,0,0|1,1,0]=4 554 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [2,0,0,0,0,0|1,0,0]=3 555 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [2,0,0,0,0,0|1,0,0]=3 556 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [2,0,0,0,0,0|2,0,0]=4 557 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [2,0,0,0,0,0|2,0,0]=4 558 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [2,0,0,0,0,0|1,0,0]=3 559 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [2,0,0,0,0,0|1,0,0]=3 560 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [2,0,0,0,0,0|1,0,1]=4 561 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [2,0,0,0,0,0|1,0,1]=4 562 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|1,0,1]=4 563 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [2,0,0,0,0,0|2,0,0]=4 564 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [2,0,0,0,0,0|0,0,2]=4 565 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [2,0,0,0,0,0|0,0,2]=4 566 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [2,0,0,0,0,0|1,1,0]=4 567 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 568 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|1,1,0]=4 569 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [1,1,0,0,0,0|1,0,1]=4 570 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [1,1,0,0,0,0|1,0,1]=4 571 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [1,1,0,0,0,0|1,0,1]=4 572 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [1,1,0,0,0,0|1,0,1]=4 573 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [1,1,0,0,0,0|2,0,0]=4 574 B10R0.4 C=C(C)CCSCCCC=O 62a_100000730704_200011292268 [1,1,0,0,0,0|2,0,0]=4 575 B10R0.4 C=C(C)CCSCCCC=O 62a_200011292268_100000730704 [1,1,0,0,0,0|2,0,0]=4 576 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [1,1,0,0,0,0|2,0,0]=4 577 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,1,0,0,0,0|2,0,0]=4 578 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,1,0,0,0,0|2,0,0]=4 579 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [1,1,0,0,0,0|2,0,0]=4 580 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [1,1,0,0,0,0|2,0,0]=4 581 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,1,0,0,0,0|2,0,0]=4 582 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,1,0,0,0,0|2,0,0]=4 583 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [1,1,0,0,0,0|2,0,0]=4 584 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [1,1,0,0,0,0|2,0,0]=4 585 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [1,1,0,0,0,0|2,0,0]=4 586 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [1,1,0,0,0,0|2,0,0]=4 587 B10R0.4 C=CCCSCCNC(=O)N 62a_100000754431_200000034859 [1,1,0,0,0,0|2,0,0]=4 588 B10R0.4 C=CCCSCCNC(=O)N 62a_200000034859_100000754431 [1,1,0,0,0,0|2,0,0]=4 589 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [1,1,0,0,0,0|2,0,0]=4 590 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [1,1,0,0,0,0|2,0,0]=4 591 B10R0.4 C=CCCSCCOC(=O)N 62a_100000754431_200011214921 [1,1,0,0,0,0|2,0,0]=4 592 B10R0.4 C=CCCSCCOC(=O)N 62a_200011214921_100000754431 [1,1,0,0,0,0|2,0,0]=4 593 B10R0.4 C=COCCSCCC(=O)C 62a_100000039644_100000053229 [1,1,0,0,0,0|2,0,0]=4 594 B10R0.4 C=COCCSCCC(=O)C 62a_100000053229_100000039644 [1,1,0,0,0,0|2,0,0]=4 595 B10R0.4 C=COCCSCCC(=O)N 62a_100000039644_100000744528 [1,1,0,0,0,0|2,0,0]=4 596 B10R0.4 C=COCCSCCC(=O)N 62a_100000744528_100000039644 [1,1,0,0,0,0|2,0,0]=4 597 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,1,0,0,0,0|2,0,0]=4 598 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,1,0,0,0,0|2,0,0]=4 599 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,1]=4 600 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,1]=4 601 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,1,0,0,0,0|1,1,0]=4 602 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,1,0,0,0,0|1,0,0]=3 603 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,1,0,0,0,0|1,0,0]=3 604 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,1]=4 605 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,1]=4 606 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,1,0,0,0,0|1,0,1]=4 607 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,1,0,0,0,0|1,0,1]=4 608 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|1,0,1]=4 609 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|1,0,1]=4 610 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [1,1,0,0,0,0|2,0,0]=4 611 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [1,1,0,0,0,0|2,0,0]=4 612 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [1,1,0,0,0,0|1,0,1]=4 613 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [1,1,0,0,0,0|1,0,1]=4 614 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|1,0,1]=4 615 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|1,0,1]=4 616 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|1,0,1]=4 617 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|1,0,1]=4 618 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [1,1,0,0,0,0|2,0,0]=4 619 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [1,1,0,0,0,0|2,0,0]=4 620 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [1,1,0,0,0,0|2,0,0]=4 621 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|1,0,1]=4 622 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|1,0,1]=4 623 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [1,1,0,0,0,0|1,1,0]=4 624 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [1,1,0,0,0,0|1,0,0]=3 625 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [1,1,0,0,0,0|1,0,0]=3 626 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|1,0,1]=4 627 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|1,0,1]=4 628 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [1,1,0,0,0,0|2,0,0]=4 629 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [1,1,0,0,0,0|2,0,0]=4 630 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [1,1,0,0,0,0|2,0,0]=4 631 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [1,1,0,0,0,0|1,0,1]=4 632 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [1,1,0,0,0,0|1,0,1]=4 633 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [1,1,0,0,0,0|1,0,1]=4 634 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [1,1,0,0,0,0|1,0,1]=4 635 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|1,0,1]=4 636 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [1,1,0,0,0,0|1,0,0]=3 637 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [1,1,0,0,0,0|1,0,1]=4 638 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [1,1,0,0,0,0|1,0,1]=4 639 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [1,1,0,0,0,0|2,0,0]=4 640 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [1,1,0,0,0,0|2,0,0]=4 641 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [1,1,0,0,0,0|2,0,0]=4 642 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [1,1,0,0,0,0|2,0,0]=4 643 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [1,1,0,0,0,0|2,0,0]=4 644 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [1,1,0,0,0,0|2,0,0]=4 645 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000730141_100000744528 [1,1,0,0,0,0|2,0,0]=4 646 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000744528_100000730141 [1,1,0,0,0,0|2,0,0]=4 647 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [1,1,0,0,0,0|1,0,1]=4 648 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [1,1,0,0,0,0|1,0,1]=4 649 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [1,1,0,0,0,0|1,0,1]=4 650 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [1,1,0,0,0,0|1,0,1]=4 651 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [1,1,0,0,0,0|1,0,1]=4 652 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [1,1,0,0,0,0|1,0,1]=4 653 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [1,1,0,0,0,0|1,0,1]=4 654 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [1,1,0,0,0,0|1,0,1]=4 655 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [1,1,0,0,0,0|1,0,1]=4 656 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [1,1,0,0,0,0|1,0,1]=4 657 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [1,1,0,0,0,0|1,0,1]=4 658 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [1,1,0,0,0,0|1,0,1]=4 659 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [1,1,0,0,0,0|1,0,1]=4 660 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [1,1,0,0,0,0|1,0,1]=4 661 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [1,1,0,0,0,0|1,0,1]=4 662 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [1,1,0,0,0,0|1,0,1]=4 663 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [1,1,0,0,0,0|2,0,0]=4 664 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [1,1,0,0,0,0|2,0,0]=4 665 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [1,1,0,0,0,0|1,1,0]=4 666 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [1,1,0,0,0,0|2,0,0]=4 667 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [1,1,0,0,0,0|2,0,0]=4 668 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [1,1,0,0,0,0|1,0,0]=3 669 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [1,1,0,0,0,0|1,0,0]=3 670 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [1,1,0,0,0,0|2,0,0]=4 671 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [1,1,0,0,0,0|1,0,1]=4 672 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [1,1,0,0,0,0|1,0,1]=4 673 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|1,0,1]=4 674 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|1,0,1]=4 675 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [1,1,0,0,0,0|1,0,1]=4 676 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [1,1,0,0,0,0|1,0,1]=4 677 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [1,1,0,0,0,0|2,0,0]=4 678 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [1,1,0,0,0,0|2,0,0]=4 679 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [1,1,0,0,0,0|1,0,1]=4 680 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [1,1,0,0,0,0|1,0,1]=4 681 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,1,0,0,0,0|1,0,1]=4 682 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,1,0,0,0,0|1,0,1]=4 683 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,1,0,0,0,0|0,0,1]=3 684 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,1,0,0,0,0|0,0,1]=3 685 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,1,0,0,0,0|2,0,0]=4 686 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,1,0,0,0,0|2,0,0]=4 687 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [1,1,0,0,0,0|2,0,0]=4 688 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [1,1,0,0,0,0|2,0,0]=4 689 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,1,0,0,0,0|1,0,1]=4 690 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,1,0,0,0,0|2,0,0]=4 691 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,1,0,0,0,0|2,0,0]=4 692 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,1]=4 693 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [1,1,0,0,0,0|2,0,0]=4 694 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [1,1,0,0,0,0|2,0,0]=4 695 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [1,1,0,0,0,0|1,0,1]=4 696 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [1,1,0,0,0,0|2,0,0]=4 697 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [1,1,0,0,0,0|1,0,1]=4 698 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,1,0,0,1,0|2,0,0]=4 699 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,1,0,0,1,0|2,0,0]=4 700 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100000744528_100009814033 [0,1,0,0,1,0|2,0,0]=4 701 B10R0.98 CC(=O)C(C)SCCC(=O)N 62a_100009814033_100000744528 [0,1,0,0,1,0|2,0,0]=4 702 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,1,0,0,1,0|2,0,0]=4 703 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,1,0,0,1,0|2,0,0]=4 704 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,1,0,0,1,0|2,0,0]=4 705 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000053229_100000702099 [0,1,0,0,1,0|2,0,0]=4 706 B10R0.98 CC(=O)CCSC(C)C(=O)N 62a_100000702099_100000053229 [0,1,0,0,1,0|2,0,0]=4 707 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100000053229_100009813875 [0,1,0,0,1,0|2,0,0]=4 708 B10R0.98 CC(=O)CCSC(F)C(=O)N 62a_100009813875_100000053229 [0,1,0,0,1,0|2,0,0]=4 709 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100000053229_100020610796 [0,1,0,0,1,0|1,0,1]=4 710 B10R0.98 CC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000053229 [0,1,0,0,1,0|1,0,1]=4 711 B10R0.98 CC(CNCC(=O)N)C(=O)O 269956a_100000749485_100000187820 [0,1,0,0,1,0|2,0,0]=4 712 B10R0.98 CC(CNCC(=O)[O-])C(=O)O 269956a_100000749485_100020667443 [0,1,0,0,1,0|1,0,1]=4 713 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000702099_100000744528 [0,1,0,0,1,0|2,0,0]=4 714 B10R0.98 CC(SCCC(=O)N)C(=O)N 62a_100000744528_100000702099 [0,1,0,0,1,0|2,0,0]=4 715 B10R0.98 C[C@H](NCCC(=O)N)C(=O)O 269956a_100000743915_100000744528 [0,1,0,0,1,0|2,0,0]=4 716 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100000744528_100009813875 [0,1,0,0,1,0|2,0,0]=4 717 B10R0.98 NC(=O)CCSC(F)C(=O)N 62a_100009813875_100000744528 [0,1,0,0,1,0|2,0,0]=4 718 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100000744528_100020610796 [0,1,0,0,1,0|1,0,1]=4 719 B10R0.98 NC(=O)CCSC(F)C(=O)[O-] 62a_100020610796_100000744528 [0,1,0,0,1,0|1,0,1]=4 720 B10R0.98 NC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000187820 [0,1,0,0,1,0|2,0,0]=4 721 B10R0.98 O=C([O-])CNCC(F)C(=O)O 269956a_100000084737_100020667443 [0,1,0,0,1,0|1,0,1]=4 722 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,1,0,0,0,1|2,0,0]=4 723 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,1,0,0,0,1|2,0,0]=4 724 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,1,0,0,0,1|2,0,0]=4 725 B12R0.42 CC(=O)NCCNCC(C)C(=O)O 269956a_100000749485_100000189650 [0,1,0,0,0,1|2,0,0]=4 726 B12R0.42 CC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_100000189650 [0,1,0,0,0,1|2,0,0]=4 727 B12R0.42 CC(=O)OCCNCC(C)C(=O)O 269956a_100000749485_100009814007 [0,1,0,0,0,1|2,0,0]=4 728 B12R0.42 CC(=O)OCCNCC(F)C(=O)O 269956a_100000084737_100009814007 [0,1,0,0,0,1|2,0,0]=4 729 B12R0.42 CC(CNCCCC(=O)N)C(=O)O 269956a_100000749485_100102525003 [0,1,0,0,0,1|2,0,0]=4 730 B12R0.42 CC(CNCCNC(=O)N)C(=O)O 269956a_100000749485_200000034859 [0,1,0,0,0,1|2,0,0]=4 731 B12R0.42 NC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100102525003 [0,1,0,0,0,1|2,0,0]=4 732 B12R0.42 NC(=O)NCCNCC(F)C(=O)O 269956a_100000084737_200000034859 [0,1,0,0,0,1|2,0,0]=4 733 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,1,0,0,0,1|2,0,0]=4 734 B12R0.44 CN(CCCC(=O)O)CCC(=O)N 269956a_100000719178_100000744528 [0,1,0,0,0,1|2,0,0]=4 735 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [0,1,0,0,0,1|2,0,0]=4 736 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [0,1,0,0,0,1|2,0,0]=4 737 B12R0.184 C=CC(=O)OCCSCCC(=O)C 62a_100000053229_100009813456 [0,1,0,0,0,1|2,0,0]=4 738 B12R0.184 C=CC(=O)OCCSCCC(=O)C 62a_100009813456_100000053229 [0,1,0,0,0,1|2,0,0]=4 739 B12R0.184 C=CC(=O)OCCSCCC(=O)N 62a_100000744528_100009813456 [0,1,0,0,0,1|2,0,0]=4 740 B12R0.184 C=CC(=O)OCCSCCC(=O)N 62a_100009813456_100000744528 [0,1,0,0,0,1|2,0,0]=4 741 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,1,0,0,0,1|2,0,0]=4 742 B12R0.184 CC(=O)OCCOCCC(=O)CO 1458a_100000210174_200000083610 [0,1,0,0,0,1|1,1,0]=4 743 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,1,0,0,0,1|2,0,0]=4 744 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,1,0,0,0,1|2,0,0]=4 745 B12R0.184 CNC(=O)CCCSCCC(=O)N 62a_100000741757_100000744528 [0,1,0,0,0,1|2,0,0]=4 746 B12R0.184 CNC(=O)CCCSCCC(=O)N 62a_100000744528_100000741757 [0,1,0,0,0,1|2,0,0]=4 747 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,1,0,0,0,1|2,0,0]=4 748 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,1,0,0,0,1|2,0,0]=4 749 B12R0.184 CNC(=O)CCSCCCC(=O)N 62a_100000737683_100102525003 [0,1,0,0,0,1|2,0,0]=4 750 B12R0.184 CNC(=O)CCSCCCC(=O)N 62a_100102525003_100000737683 [0,1,0,0,0,1|2,0,0]=4 751 B12R0.184 CNC(=O)CCSCCNC(=O)C 62a_100000189650_100000737683 [0,1,0,0,0,1|2,0,0]=4 752 B12R0.184 CNC(=O)CCSCCNC(=O)C 62a_100000737683_100000189650 [0,1,0,0,0,1|2,0,0]=4 753 B12R0.184 CNC(=O)CCSCCNC(=O)N 62a_100000737683_200000034859 [0,1,0,0,0,1|2,0,0]=4 754 B12R0.184 CNC(=O)CCSCCNC(=O)N 62a_200000034859_100000737683 [0,1,0,0,0,1|2,0,0]=4 755 B12R0.184 CNC(=O)CCSCCOC(=O)C 62a_100000737683_100009814007 [0,1,0,0,0,1|2,0,0]=4 756 B12R0.184 CNC(=O)CCSCCOC(=O)C 62a_100009814007_100000737683 [0,1,0,0,0,1|2,0,0]=4 757 B12R0.184 CNC(=O)CCSCCOC(=O)N 62a_100000737683_200011214921 [0,1,0,0,0,1|2,0,0]=4 758 B12R0.184 CNC(=O)CCSCCOC(=O)N 62a_200011214921_100000737683 [0,1,0,0,0,1|2,0,0]=4 759 B12R0.184 CNC(=O)OCCSCCC(=O)C 62a_100000053229_200011997002 [0,1,0,0,0,1|2,0,0]=4 760 B12R0.184 CNC(=O)OCCSCCC(=O)C 62a_200011997002_100000053229 [0,1,0,0,0,1|2,0,0]=4 761 B12R0.184 CNC(=O)OCCSCCC(=O)N 62a_100000744528_200011997002 [0,1,0,0,0,1|2,0,0]=4 762 B12R0.184 CNC(=O)OCCSCCC(=O)N 62a_200011997002_100000744528 [0,1,0,0,0,1|2,0,0]=4 763 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000053229_100000742655 [0,1,0,0,0,1|1,0,1]=4 764 B12R0.184 COC(=O)/C=C/CSCCC(=O)C 62a_100000742655_100000053229 [0,1,0,0,0,1|1,0,1]=4 765 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000742655_100000744528 [0,1,0,0,0,1|1,0,1]=4 766 B12R0.184 COC(=O)/C=C/CSCCC(=O)N 62a_100000744528_100000742655 [0,1,0,0,0,1|1,0,1]=4 767 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,1,0,0,0,1|2,0,0]=4 768 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,1,0,0,0,1|2,0,0]=4 769 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,1,0,0,0,1|2,0,0]=4 770 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,1,0,0,0,1|2,0,0]=4 771 B12R0.184 COC(=O)CCCCNCC(=O)N 2230a_100000711301_100000204269 [0,1,0,0,0,1|2,0,0]=4 772 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,1,0,0,0,1|1,0,0]=3 773 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,1,0,0,0,1|2,0,0]=4 774 B12R0.184 COC(=O)CCCCOCC(=O)N 34a_100000059025_100000187820 [0,1,0,0,0,1|2,0,0]=4 775 B12R0.184 COC(=O)CCCCOCC(=O)N 7a_100000059025_100000187820 [0,1,0,0,0,1|2,0,0]=4 776 B12R0.184 COC(=O)CCCCOCC(=O)[O-] 34a_100000059025_100020667443 [0,1,0,0,0,1|1,0,1]=4 777 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000204269_100000747473 [0,1,0,0,0,1|2,0,0]=4 778 B12R0.184 COC(=O)CCCCSCC(=O)N 62a_100000747473_100000204269 [0,1,0,0,0,1|2,0,0]=4 779 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100000204269_100020667443 [0,1,0,0,0,1|1,0,1]=4 780 B12R0.184 COC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000204269 [0,1,0,0,0,1|1,0,1]=4 781 B12R0.184 COC(=O)CCCNOCC(=O)O 269956a_100000106656_100011218270 [0,1,0,0,0,1|2,0,0]=4 782 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,1,0,0,0,1|1,1,0]=4 783 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,1,0,0,0,1|1,1,0]=4 784 B12R0.184 COC(=O)CCCOCCC(=O)N 34a_100000757172_100000742333 [0,1,0,0,0,1|1,1,0]=4 785 B12R0.184 COC(=O)CCCOCCC(=O)N 7a_100000757172_100011218270 [0,1,0,0,0,1|1,1,0]=4 786 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,1,0,0,0,1|1,0,0]=3 787 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,1,0,0,0,1|1,0,0]=3 788 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100000744528_100011218270 [0,1,0,0,0,1|1,0,0]=3 789 B12R0.184 COC(=O)CCCSCCC(=O)N 62a_100011218270_100000744528 [0,1,0,0,0,1|1,0,0]=3 790 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,1,0,0,0,1|1,0,1]=4 791 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,1,0,0,0,1|1,0,1]=4 792 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100000076356_100011218270 [0,1,0,0,0,1|2,0,0]=4 793 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100011218270_100000076356 [0,1,0,0,0,1|2,0,0]=4 794 B12R0.184 COC(=O)CCNCCCC(=O)N 34a_100000739312_100000742370 [0,1,0,0,0,1|2,0,0]=4 795 B12R0.184 COC(=O)CCNCCNC(=O)C 2230a_100000209853_100000204255 [0,1,0,0,0,1|2,0,0]=4 796 B12R0.184 COC(=O)CCNCCNC(=O)N 34a_100020590234_100000742370 [0,1,0,0,0,1|2,0,0]=4 797 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,1,0,0,0,1|1,1,0]=4 798 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,1,0,0,0,1|1,1,0]=4 799 B12R0.184 COC(=O)CCOCCNC(=O)C 188690a_100102954618_100015343762 [0,1,0,0,0,1|1,1,0]=4 800 B12R0.184 COC(=O)CCOCCNC(=O)C 34a_100000158858_100000742370 [0,1,0,0,0,1|1,1,0]=4 801 B12R0.184 COC(=O)CCOCCNC(=O)N 34a_100000181757_100000742370 [0,1,0,0,0,1|1,1,0]=4 802 B12R0.184 COC(=O)CCOCCOC(=O)N 7a_100000766696_100000204255 [0,1,0,0,0,1|1,1,0]=4 803 B12R0.184 COC(=O)CCSCCC=C(C)C 62a_100000204255_100011217483 [0,1,0,0,0,1|2,0,0]=4 804 B12R0.184 COC(=O)CCSCCC=C(C)C 62a_100011217483_100000204255 [0,1,0,0,0,1|2,0,0]=4 805 B12R0.184 COC(=O)CCSCCC=C(F)F 62a_100000204255_200009816681 [0,1,0,0,0,1|2,0,0]=4 806 B12R0.184 COC(=O)CCSCCC=C(F)F 62a_200009816681_100000204255 [0,1,0,0,0,1|2,0,0]=4 807 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,1,0,0,0,1|1,0,0]=3 808 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,1,0,0,0,1|1,0,0]=3 809 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100000204255_100102525003 [0,1,0,0,0,1|1,0,0]=3 810 B12R0.184 COC(=O)CCSCCCC(=O)N 62a_100102525003_100000204255 [0,1,0,0,0,1|1,0,0]=3 811 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,1,0,0,0,1|1,0,1]=4 812 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,1,0,0,0,1|1,0,1]=4 813 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000189650_100000204255 [0,1,0,0,0,1|1,0,0]=3 814 B12R0.184 COC(=O)CCSCCNC(=O)C 62a_100000204255_100000189650 [0,1,0,0,0,1|1,0,0]=3 815 B12R0.184 COC(=O)CCSCCNC(=O)N 62a_100000204255_200000034859 [0,1,0,0,0,1|1,0,0]=3 816 B12R0.184 COC(=O)CCSCCNC(=O)N 62a_200000034859_100000204255 [0,1,0,0,0,1|1,0,0]=3 817 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100000204255_100009814007 [0,1,0,0,0,1|1,0,0]=3 818 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100009814007_100000204255 [0,1,0,0,0,1|1,0,0]=3 819 B12R0.184 COC(=O)CCSCCOC(=O)N 62a_100000204255_200011214921 [0,1,0,0,0,1|1,0,0]=3 820 B12R0.184 COC(=O)CCSCCOC(=O)N 62a_200011214921_100000204255 [0,1,0,0,0,1|1,0,0]=3 821 B12R0.184 COC(=O)CNCCCCC(=O)N 34a_100000696515_100000747449 [0,1,0,0,0,1|2,0,0]=4 822 B12R0.184 COC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747449 [0,1,0,0,0,1|2,0,0]=4 823 B12R0.184 COC(=O)COCCCCC(=O)N 34a_100012022536_100000747449 [0,1,0,0,0,1|2,0,0]=4 824 B12R0.184 COC(=O)COCCCCC(=O)N 7a_100012022536_100000747449 [0,1,0,0,0,1|2,0,0]=4 825 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,1,0,0,0,1|2,0,0]=4 826 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,1,0,0,0,1|2,0,0]=4 827 B12R0.184 COC(=O)NCCOCCC(=O)N 34a_100000757965_100000731001 [0,1,0,0,0,1|1,1,0]=4 828 B12R0.184 COC(=O)OCCOCCC(=O)N 34a_100010262106_100000731001 [0,1,0,0,0,1|1,1,0]=4 829 B12R0.184 COC(=O)OCSCCCC(=O)C 62a_100011215641_100000139417 [0,1,0,0,0,1|2,0,0]=4 830 B12R0.184 COC(=O)OCSCCCC(=O)N 62a_100102525003_100000139417 [0,1,0,0,0,1|2,0,0]=4 831 B12R0.184 COC(=O)OCSCCNC(=O)C 62a_100000189650_100000139417 [0,1,0,0,0,1|2,0,0]=4 832 B12R0.184 COC(=O)OCSCCNC(=O)N 62a_200000034859_100000139417 [0,1,0,0,0,1|2,0,0]=4 833 B12R0.184 COC(=O)OCSCCOC(=O)C 62a_100009814007_100000139417 [0,1,0,0,0,1|2,0,0]=4 834 B12R0.184 COC(=O)OCSCCOC(=O)N 62a_200011214921_100000139417 [0,1,0,0,0,1|2,0,0]=4 835 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,1,0,0,0,1|2,0,0]=4 836 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,1,0,0,0,1|2,0,0]=4 837 B12R0.270 NC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000744528 [0,1,0,0,0,1|2,0,0]=4 838 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100000730704_100009817358 [0,2,0,0,0,0|2,0,0]=4 839 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100009817358_100000730704 [0,2,0,0,0,0|2,0,0]=4 840 B12R0.240 COC(=O)CC(C)NOCC(=O)O 269956a_100000106656_100009817358 [0,2,0,0,0,0|2,0,0]=4 841 B12R0.240 COC(=O)CC(C)OCCC(=O)C 34a_100000759926_100009817358 [0,2,0,0,0,0|1,1,0]=4 842 B12R0.240 COC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817358 [0,2,0,0,0,0|1,1,0]=4 843 B12R0.240 COC(=O)CC(C)OCCC(=O)N 34a_100000757172_100009817358 [0,2,0,0,0,0|1,1,0]=4 844 B12R0.240 COC(=O)CC(C)OCCC(=O)N 7a_100000757172_100009817358 [0,2,0,0,0,0|1,1,0]=4 845 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817358 [0,2,0,0,0,0|1,0,0]=3 846 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100009817358_100000053229 [0,2,0,0,0,0|1,0,0]=3 847 B12R0.240 COC(=O)CC(C)SCCC(=O)N 62a_100000744528_100009817358 [0,2,0,0,0,0|1,0,0]=3 848 B12R0.240 COC(=O)CC(C)SCCC(=O)N 62a_100009817358_100000744528 [0,2,0,0,0,0|1,0,0]=3 849 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100009817358_100012276601 [0,2,0,0,0,0|1,0,1]=4 850 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817358 [0,2,0,0,0,0|1,0,1]=4 851 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100000076356_100009817358 [0,2,0,0,0,0|2,0,0]=4 852 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100009817358_100000076356 [0,2,0,0,0,0|2,0,0]=4 853 B12R0.240 COC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747449 [0,2,0,0,0,0|2,0,0]=4 854 B12R0.240 COC(=O)C[C@@H](O)CNCC(=O)O 269956a_100016091260_100000754131 [0,2,0,0,0,0|2,0,0]=4 855 B12R0.241 COC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011218270 [0,2,0,0,0,0|2,0,0]=4 856 B12R0.241 COC(=O)CCSC(C)OC(=O)C 62a_100000204255_100009818208 [0,2,0,0,0,0|2,0,0]=4 857 B12R0.241 COC(=O)CCSC(C)OC(=O)C 62a_100009818208_100000204255 [0,2,0,0,0,0|2,0,0]=4 858 B12R0.241 COC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747449 [0,2,0,0,0,0|2,0,0]=4 859 B12R0.535 CC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000053229 [0,2,0,0,0,0|2,0,0]=4 860 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)C 269956a_100016995926_100000053229 [0,2,0,0,0,0|2,0,0]=4 861 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)N 269956a_100016995926_100000744528 [0,2,0,0,0,0|2,0,0]=4 862 B12R0.535 NC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000744528 [0,2,0,0,0,0|2,0,0]=4 863 B12R0.697 CC(=O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000053229 [0,2,0,0,0,0|2,0,0]=4 864 B12R0.697 CC(C)(CC(=O)O)NCCC(=O)N 269956a_100000755897_100000744528 [0,2,0,0,0,0|2,0,0]=4 865 B12R0.86 C=C(C)CCSCC(C)C(=O)OC 62a_100000698445_100000730704 [0,2,0,0,0,0|2,0,0]=4 866 B12R0.86 C=C(C)CCSCC(C)C(=O)OC 62a_100000730704_100000698445 [0,2,0,0,0,0|2,0,0]=4 867 B12R0.86 C=C(CSCCC(=O)C)C(=O)OC 62a_100000053229_100009813391 [0,2,0,0,0,0|1,0,1]=4 868 B12R0.86 C=C(CSCCC(=O)C)C(=O)OC 62a_100009813391_100000053229 [0,2,0,0,0,0|1,0,1]=4 869 B12R0.86 C=C(CSCCC(=O)N)C(=O)OC 62a_100000744528_100009813391 [0,2,0,0,0,0|1,0,1]=4 870 B12R0.86 C=C(CSCCC(=O)N)C(=O)OC 62a_100009813391_100000744528 [0,2,0,0,0,0|1,0,1]=4 871 B12R0.86 COC(=O)C(=O)CSCCC(=O)C 62a_100000053229_100011610305 [0,2,0,0,0,0|1,0,1]=4 872 B12R0.86 COC(=O)C(=O)CSCCC(=O)C 62a_100011610305_100000053229 [0,2,0,0,0,0|1,0,1]=4 873 B12R0.86 COC(=O)C(=O)CSCCC(=O)N 62a_100000744528_100011610305 [0,2,0,0,0,0|1,0,1]=4 874 B12R0.86 COC(=O)C(=O)CSCCC(=O)N 62a_100011610305_100000744528 [0,2,0,0,0,0|1,0,1]=4 875 B12R0.86 COC(=O)C(C)CCNCC(=O)O 269956a_100016091260_100000034942 [0,2,0,0,0,0|2,0,0]=4 876 B12R0.86 COC(=O)C(C)COCCC(=O)C 34a_100000759926_100000698445 [0,2,0,0,0,0|1,1,0]=4 877 B12R0.86 COC(=O)C(C)COCCC(=O)C 7a_100000749362_100000053229 [0,2,0,0,0,0|1,1,0]=4 878 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000749362_100000731001 [0,2,0,0,0,0|1,1,0]=4 879 B12R0.86 COC(=O)C(C)COCCC(=O)N 34a_100000757172_100000698445 [0,2,0,0,0,0|1,1,0]=4 880 B12R0.86 COC(=O)C(C)COCCC(=O)N 7a_100000749362_100000744528 [0,2,0,0,0,0|1,1,0]=4 881 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000053229_100000698445 [0,2,0,0,0,0|1,0,0]=3 882 B12R0.86 COC(=O)C(C)CSCCC(=O)C 62a_100000698445_100000053229 [0,2,0,0,0,0|1,0,0]=3 883 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000698445_100000744528 [0,2,0,0,0,0|1,0,0]=3 884 B12R0.86 COC(=O)C(C)CSCCC(=O)N 62a_100000744528_100000698445 [0,2,0,0,0,0|1,0,0]=3 885 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100000698445_100012276601 [0,2,0,0,0,0|1,0,1]=4 886 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100012276601_100000698445 [0,2,0,0,0,0|1,0,1]=4 887 B12R0.86 COC(=O)C(C)CSCOC(=O)C 62a_100000076356_100000698445 [0,2,0,0,0,0|2,0,0]=4 888 B12R0.86 COC(=O)C(C)CSCOC(=O)C 62a_100000698445_100000076356 [0,2,0,0,0,0|2,0,0]=4 889 B12R0.86 COC(=O)C(F)COCCC(=O)N 34a_200009849844_100000731001 [0,2,0,0,0,0|1,1,0]=4 890 B12R0.86 COC(=O)[C@H](N)COCCC(=O)N 34a_100000003586_100000731001 [0,2,0,0,0,0|1,1,0]=4 891 B12R0.186 CNC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000737683 [0,2,0,0,0,0|2,0,0]=4 892 B12R0.186 CNC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000737683 [0,2,0,0,0,0|2,0,0]=4 893 B12R0.186 COC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011218270 [0,2,0,0,0,0|2,0,0]=4 894 B12R0.186 COC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000204255 [0,2,0,0,0,0|1,0,0]=3 895 B12R0.186 COC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000204255 [0,2,0,0,0,0|1,0,0]=3 896 B12R0.186 COC(=O)CCOCC(C)C(=O)C 34a_100000032740_100000742370 [0,2,0,0,0,0|1,1,0]=4 897 B12R0.186 COC(=O)CCOCC(C)C(=O)C 7a_100000032740_100000204255 [0,2,0,0,0,0|1,1,0]=4 898 B12R0.186 COC(=O)CCOC[C@H](N)C(=O)N 34a_100000729942_100000742370 [0,2,0,0,0,0|1,1,0]=4 899 B12R0.186 COC(=O)CCSCC(=O)C(=O)C 62a_100000204255_100011261029 [0,2,0,0,0,0|1,0,1]=4 900 B12R0.186 COC(=O)CCSCC(=O)C(=O)C 62a_100011261029_100000204255 [0,2,0,0,0,0|1,0,1]=4 901 B12R0.692 CC(=O)CCNCC(C)(C)C(=O)O 269956a_100000693527_100000053229 [0,2,0,0,0,0|2,0,0]=4 902 B12R0.692 CC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000053229 [0,2,0,0,0,0|2,0,0]=4 903 B12R0.692 CC(=O)CCSCC(C)(C)C(=O)N 62a_100000053229_200009895572 [0,2,0,0,0,0|2,0,0]=4 904 B12R0.692 CC(=O)CCSCC(C)(C)C(=O)N 62a_200009895572_100000053229 [0,2,0,0,0,0|2,0,0]=4 905 B12R0.692 CC(C)(CNCCC(=O)N)C(=O)O 269956a_100000693527_100000744528 [0,2,0,0,0,0|2,0,0]=4 906 B12R0.692 CC(C)(CSCCC(=O)N)C(=O)N 62a_100000744528_200009895572 [0,2,0,0,0,0|2,0,0]=4 907 B12R0.692 CC(C)(CSCCC(=O)N)C(=O)N 62a_200009895572_100000744528 [0,2,0,0,0,0|2,0,0]=4 908 B12R0.692 NC(=O)CCNCC(F)(F)C(=O)O 269956a_100000734215_100000744528 [0,2,0,0,0,0|2,0,0]=4 909 B12R0.150 COC(=O)CCSCCC(C)(C)O 62a_100000204255_100000702414 [0,2,0,0,0,0|1,0,1]=4 910 B12R0.150 COC(=O)CCSCCC(C)(C)O 62a_100000702414_100000204255 [0,2,0,0,0,0|1,0,1]=4 911 B12R0.150 COC(=O)CCSCCS(=O)(=O)C 62a_100000204255_100000230027 [0,2,0,0,0,0|1,0,1]=4 912 B12R0.150 COC(=O)CCSCCS(=O)(=O)C 62a_100000731031_100000204255 [0,2,0,0,0,0|1,0,1]=4 913 B12R0.150 COC(=O)CCSCCS(=O)(=O)[O-] 62a_100000204255_100000762736 [0,2,0,0,0,0|1,0,1]=4 914 B12R0.150 COC(=O)CCSCCS(=O)(=O)[O-] 62a_100000762736_100000204255 [0,2,0,0,0,0|1,0,1]=4 915 B12R0.189 COC(=O)CCN(C)CCC(=O)C 269982a_100025711912_100000053229 [0,2,0,0,0,0|2,0,0]=4 916 B12R0.189 COC(=O)CCN(C)CCC(=O)N 2230a_100000730477_100000204255 [0,2,0,0,0,0|2,0,0]=4 917 B12R0.189 COC(=O)CCN(C)CCC(=O)N 269982a_100025711912_100000744528 [0,2,0,0,0,0|2,0,0]=4 918 B12R0.183 C#CC(=O)CCCCCC(=O)OC 1458a_100000211873_100009816466 [0,2,0,0,0,0|2,0,0]=4 919 B12R0.183 C=CC(=O)CCCCCC(=O)OC 1458a_100000185746_100009816466 [0,2,0,0,0,0|2,0,0]=4 920 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|2,0,0]=4 921 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|2,0,0]=4 922 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,2,0,0,0,0|2,0,0]=4 923 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,2,0,0,0,0|2,0,0]=4 924 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,2,0,0,0,0|2,0,0]=4 925 B12R0.183 CNC(=O)CCNCCC(=O)OC 2230a_100000738227_100000204255 [0,2,0,0,0,0|2,0,0]=4 926 B12R0.183 CNC(=O)CCNCCC(=O)OC 34a_100000738227_100000742370 [0,2,0,0,0,0|2,0,0]=4 927 B12R0.183 CNC(=O)CCOCCC(=O)OC 34a_100000754576_100000742370 [0,2,0,0,0,0|1,1,0]=4 928 B12R0.183 CNC(=O)CCSCCC(=O)NC 62a_100000737683_100000737683 [0,2,0,0,0,0|2,0,0]=4 929 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000204255_100000737683 [0,2,0,0,0,0|1,0,0]=3 930 B12R0.183 CNC(=O)CCSCCC(=O)OC 62a_100000737683_100000204255 [0,2,0,0,0,0|1,0,0]=3 931 B12R0.183 CNC(=O)CCSCOC(=O)OC 62a_100000737683_100000139417 [0,2,0,0,0,0|2,0,0]=4 932 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,2,0,0,0,0|2,0,0]=4 933 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,2,0,0,0,0|1,0,0]=3 934 B12R0.183 COC(=O)CCCCNC(=O)CO 188690a_100000746077_100000210174 [0,2,0,0,0,0|2,0,0]=4 935 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100000747449_100011218270 [0,2,0,0,0,0|2,0,0]=4 936 B12R0.183 COC(=O)CCCSCC(=O)OC 62a_100011218270_100000747449 [0,2,0,0,0,0|2,0,0]=4 937 B12R0.183 COC(=O)CCOCCC(=NO)N 34a_100000749954_100000742370 [0,2,0,0,0,0|1,1,0]=4 938 B12R0.183 COC(=O)CCSCCC(=O)OC 62a_100000204255_100000204255 [0,2,0,0,0,0|0,0,0]=2 939 B12R0.183 COC(=O)CCSCOC(=O)OC 62a_100000204255_100000139417 [0,2,0,0,0,0|1,0,0]=3 940 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [0,2,0,0,0,0|2,0,0]=4 941 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [0,2,0,0,0,0|2,0,0]=4 942 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [0,2,0,0,0,0|2,0,0]=4 943 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [0,2,0,0,0,0|2,0,0]=4 944 B12R0.277 CCNC(=O)CCSCCC(=O)N 62a_100000737597_100000744528 [0,2,0,0,0,0|2,0,0]=4 945 B12R0.277 CCNC(=O)CCSCCC(=O)N 62a_100000744528_100000737597 [0,2,0,0,0,0|2,0,0]=4 946 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|2,0,0]=4 947 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|2,0,0]=4 948 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|2,0,0]=4 949 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,2,0,0,0,0|2,0,0]=4 950 B12R0.277 CCOC(=O)CCNOCC(=O)O 269956a_100000106656_100000765890 [0,2,0,0,0,0|2,0,0]=4 951 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,2,0,0,0,0|1,1,0]=4 952 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,2,0,0,0,0|1,1,0]=4 953 B12R0.277 CCOC(=O)CCOCCC(=O)N 34a_100000757172_100000765890 [0,2,0,0,0,0|1,1,0]=4 954 B12R0.277 CCOC(=O)CCOCCC(=O)N 7a_100000757172_100011206558 [0,2,0,0,0,0|1,1,0]=4 955 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,2,0,0,0,0|1,0,0]=3 956 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,2,0,0,0,0|1,0,0]=3 957 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000744528_100000765890 [0,2,0,0,0,0|1,0,0]=3 958 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000765890_100000744528 [0,2,0,0,0,0|1,0,0]=3 959 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,2,0,0,0,0|1,0,1]=4 960 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,2,0,0,0,0|1,0,1]=4 961 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000076356_100000765890 [0,2,0,0,0,0|2,0,0]=4 962 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000765890_100000076356 [0,2,0,0,0,0|2,0,0]=4 963 B12R0.277 CCOC(=O)OCSCCC(=O)C 62a_100000053229_100000075025 [0,2,0,0,0,0|2,0,0]=4 964 B12R0.277 CCOC(=O)OCSCCC(=O)N 62a_100000744528_100000075025 [0,2,0,0,0,0|2,0,0]=4 965 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,2,0,0,0,0|2,0,0]=4 966 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.24 C=CCCSC1CC(=O)C1 62a_100009894365_100000754431 [1,0,0,1,0,0|2,0,0]=4 968 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [1,0,0,1,0,0|1,0,1]=4 969 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|2,0,0]=4 970 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [1,0,0,1,0,0|1,1,0]=4 971 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [1,0,0,1,0,0|2,0,0]=4 972 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [1,0,0,1,0,0|2,0,0]=4 973 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [1,0,0,1,0,0|2,0,0]=4 974 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|2,0,0]=4 975 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [1,0,0,1,0,0|2,0,0]=4 976 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [1,0,0,1,0,0|1,0,1]=4 977 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [1,0,0,1,0,0|1,0,1]=4 978 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [1,0,0,1,0,0|1,0,1]=4 979 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [1,0,0,1,0,0|1,0,1]=4 980 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [1,0,0,1,0,0|1,0,1]=4 981 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [1,0,0,1,0,0|1,0,1]=4 982 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [1,0,0,1,0,0|1,0,1]=4 983 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [1,0,0,1,0,0|1,0,1]=4 984 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,0,0,1,1,0|2,0,0]=4 985 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,0,0,1,1,0|2,0,0]=4 986 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,0,0,1,1,0|2,0,0]=4 987 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,0,0,1,1,0|2,0,0]=4 988 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,0,0,1,1,0|2,0,0]=4 989 B10R1.82 NC(=O)CSC1CC(=O)C1 62a_100009894365_100000747473 [0,0,0,1,1,0|2,0,0]=4 990 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,0,0,1,1,0|2,0,0]=4 991 B10R1.82 O=C([O-])CSC1CC(=O)C1 62a_100009894365_100020667443 [0,0,0,1,1,0|1,0,1]=4 992 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,1,0|2,0,0]=4 993 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,1,0|2,0,0]=4 994 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,1,0|2,0,0]=4 995 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,1,0|2,0,0]=4 996 B12R1.105 C=C(C)CCSC1COC(=O)O1 62a_100000730704_100000032252 [0,0,0,1,0,1|2,0,0]=4 997 B12R1.105 CC(=O)CCOC1COC(=O)O1 34a_100000759926_100000032252 [0,0,0,1,0,1|1,1,0]=4 998 B12R1.105 CC(=O)CCSC1COC(=O)O1 62a_100000053229_100000032252 [0,0,0,1,0,1|1,0,0]=3 999 B12R1.105 CC(=O)OCSC1COC(=O)O1 62a_100000076356_100000032252 [0,0,0,1,0,1|2,0,0]=4 1000 B12R1.105 CC(O)CCSC1COC(=O)O1 62a_100012276601_100000032252 [0,0,0,1,0,1|1,0,1]=4 1001 B12R1.105 NC(=O)CCOC1COC(=O)O1 34a_100000757172_100000032252 [0,0,0,1,0,1|1,1,0]=4 1002 B12R1.105 NC(=O)CCSC1COC(=O)O1 62a_100000744528_100000032252 [0,0,0,1,0,1|1,0,0]=3 1003 B12R1.105 O=C(O)CNCC1CNC(=O)O1 269956a_100016091260_100000181169 [0,0,0,1,0,1|2,0,0]=4 1004 B12R1.105 O=C(O)CNC[C@@H]1CCC(=O)N1 269956a_100016091260_100015189358 [0,0,0,1,0,1|2,0,0]=4 1005 B12R1.220 CC(=O)CCCSC1CC(=O)C1 62a_100009894365_100011215641 [0,0,0,1,0,1|2,0,0]=4 1006 B12R1.220 CC(=O)CCSCC1CC(=O)C1 62a_100000053229_100009874392 [0,0,0,1,0,1|2,0,0]=4 1007 B12R1.220 CC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000053229 [0,0,0,1,0,1|2,0,0]=4 1008 B12R1.220 CC(=O)NCCSC1CC(=O)C1 62a_100009894365_100000189650 [0,0,0,1,0,1|2,0,0]=4 1009 B12R1.220 CC(=O)OCCSC1CC(=O)C1 62a_100009894365_100009814007 [0,0,0,1,0,1|2,0,0]=4 1010 B12R1.220 NC(=O)CCCSC1CC(=O)C1 62a_100009894365_100102525003 [0,0,0,1,0,1|2,0,0]=4 1011 B12R1.220 NC(=O)CCSCC1CC(=O)C1 62a_100000744528_100009874392 [0,0,0,1,0,1|2,0,0]=4 1012 B12R1.220 NC(=O)CCSCC1CC(=O)C1 62a_100009874392_100000744528 [0,0,0,1,0,1|2,0,0]=4 1013 B12R1.220 NC(=O)NCCSC1CC(=O)C1 62a_100009894365_200000034859 [0,0,0,1,0,1|2,0,0]=4 1014 B12R1.220 NC(=O)OCCSC1CC(=O)C1 62a_100009894365_200011214921 [0,0,0,1,0,1|2,0,0]=4 1015 B12R1.392 C=C(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000748629 [0,0,0,1,0,1|2,0,0]=4 1016 B12R1.392 C=C(F)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000042424 [0,0,0,1,0,1|2,0,0]=4 1017 B12R1.392 CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218427 [0,0,0,1,0,1|1,0,1]=4 1018 B12R1.392 C[C@@H](O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009817552 [0,0,0,1,0,1|1,0,1]=4 1019 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [0,0,0,1,0,1|2,0,0]=4 1020 B12R1.392 NC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000187820 [0,0,0,1,0,1|1,0,0]=3 1021 B12R1.392 O=C(O)[C@@H]1CSCN1C[N+](=O)[O-] 269956a_100000743924_100000761209 [0,0,0,1,0,1|1,0,1]=4 1022 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [0,0,0,1,0,1|1,0,1]=4 1023 B12R1.392 O=C([O-])CN1CSC[C@H]1C(=O)O 269956a_100000743924_100020667443 [0,0,0,1,0,1|0,0,1]=3 1024 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,0,0,1,0,1|2,0,0]=4 1025 B12R1.1804 NC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000744528 [0,0,0,1,0,1|2,0,0]=4 1026 B12R1.1039 CC(CNC1CC(=O)C1)C(=O)O 269956a_100000749485_100009894365 [0,1,0,1,0,0|2,0,0]=4 1027 B12R1.1039 O=C1CC(C1)NCC(F)C(=O)O 269956a_100000084737_100009894365 [0,1,0,1,0,0|2,0,0]=4 1028 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000204255_100000732470 [0,1,0,1,0,0|1,0,1]=4 1029 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000732470_100000204255 [0,1,0,1,0,0|1,0,1]=4 1030 B12R1.368 COC(=O)C1CSCN1C(=O)C 11a_200000724679_100015343762 [0,1,0,1,0,0|2,0,0]=4 1031 B12R1.368 COC(=O)C1CSCN1C(=O)C 240690a_200000724679_100015343762 [0,1,0,1,0,0|2,0,0]=4 1032 B12R1.394 CNC(=O)CCSC1CC(=O)C1 62a_100009894365_100000737683 [0,1,0,1,0,0|2,0,0]=4 1033 B12R1.394 COC(=O)CCSC1CC(=O)C1 62a_100009894365_100000204255 [0,1,0,1,0,0|1,0,0]=3 1034 B12R1.394 COC(=O)OCSC1CC(=O)C1 62a_100009894365_100000139417 [0,1,0,1,0,0|2,0,0]=4 1035 B12R1.1651 COC(=O)C1CN1CCC(=O)N 2230a_200009830135_100000744528 [0,1,0,1,0,0|2,0,0]=4 1036 B12R1.1668 COC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747449 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,0,0,2,0,0|2,0,0]=4 1038 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,0,0,2,0,0|2,0,0]=4 1039 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,0,0,2,0,0|2,0,0]=4 1040 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,0,0,2,0,0|2,0,0]=4 1041 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,2,0|2,0,0]=4 1042 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,2,0|2,0,0]=4 1043 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,2,0|2,0,0]=4 1044 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,2,0|2,0,0]=4 1045 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,2,0|2,0,0]=4 1046 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,0,0,2,0|2,0,0]=4 1047 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,0,0,2,0|1,0,1]=4 1048 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,0,0,2,0|1,0,1]=4 1049 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,2,0|1,0,1]=4 1050 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,0,0,2,0|0,0,2]=4 1051 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,0,0,0,0,2|2,0,0]=4 1052 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,0,0,0,0,2|2,0,0]=4 1053 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,0,0,0,0,2|2,0,0]=4 1054 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,0,0,0,0,2|2,0,0]=4 1055 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,0,0,0,0,2|2,0,0]=4 1056 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,0,0,0,0,2|2,0,0]=4 1057 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,0,0,0,0,2|2,0,0]=4 1058 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,0,0,0,0,2|2,0,0]=4 1059 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [0,0,0,0,0,2|2,0,0]=4 1060 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [0,0,0,0,0,2|2,0,0]=4 1061 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_100011215641_200000034859 [0,0,0,0,0,2|2,0,0]=4 1062 B12R0.268 CC(=O)CCCSCCNC(=O)N 62a_200000034859_100011215641 [0,0,0,0,0,2|2,0,0]=4 1063 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [0,0,0,0,0,2|2,0,0]=4 1064 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [0,0,0,0,0,2|2,0,0]=4 1065 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_100011215641_200011214921 [0,0,0,0,0,2|2,0,0]=4 1066 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_200011214921_100011215641 [0,0,0,0,0,2|2,0,0]=4 1067 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,0,0,0,0,2|2,0,0]=4 1068 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [0,0,0,0,0,2|2,0,0]=4 1069 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [0,0,0,0,0,2|2,0,0]=4 1070 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000038929_100000053229 [0,0,0,0,0,2|2,0,0]=4 1071 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000053229_100000038929 [0,0,0,0,0,2|2,0,0]=4 1072 B12R0.268 CC(=O)CCSCCOCC(=O)N 62a_100000053229_100000076697 [0,0,0,0,0,2|2,0,0]=4 1073 B12R0.268 CC(=O)CCSCCOCC(=O)N 62a_100000076697_100000053229 [0,0,0,0,0,2|2,0,0]=4 1074 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100000189650_100102525003 [0,0,0,0,0,2|2,0,0]=4 1075 B12R0.268 CC(=O)NCCSCCCC(=O)N 62a_100102525003_100000189650 [0,0,0,0,0,2|2,0,0]=4 1076 B12R0.268 CC(=O)NCCSCCNC(=O)C 62a_100000189650_100000189650 [0,0,0,0,0,2|2,0,0]=4 1077 B12R0.268 CC(=O)NCCSCCNC(=O)N 62a_100000189650_200000034859 [0,0,0,0,0,2|2,0,0]=4 1078 B12R0.268 CC(=O)NCCSCCNC(=O)N 62a_200000034859_100000189650 [0,0,0,0,0,2|2,0,0]=4 1079 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100000189650_100009814007 [0,0,0,0,0,2|2,0,0]=4 1080 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100009814007_100000189650 [0,0,0,0,0,2|2,0,0]=4 1081 B12R0.268 CC(=O)NCCSCCOC(=O)N 62a_100000189650_200011214921 [0,0,0,0,0,2|2,0,0]=4 1082 B12R0.268 CC(=O)NCCSCCOC(=O)N 62a_200011214921_100000189650 [0,0,0,0,0,2|2,0,0]=4 1083 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,0,0,0,0,2|2,0,0]=4 1084 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000042594_100000744528 [0,0,0,0,0,2|2,0,0]=4 1085 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000744528_100000042594 [0,0,0,0,0,2|2,0,0]=4 1086 B12R0.268 CC(=O)OCCOCNCC(=O)O 269956a_100016091260_100000076355 [0,0,0,0,0,2|1,1,0]=4 1087 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100009814007_100102525003 [0,0,0,0,0,2|2,0,0]=4 1088 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100102525003_100009814007 [0,0,0,0,0,2|2,0,0]=4 1089 B12R0.268 CC(=O)OCCSCCNC(=O)N 62a_100009814007_200000034859 [0,0,0,0,0,2|2,0,0]=4 1090 B12R0.268 CC(=O)OCCSCCNC(=O)N 62a_200000034859_100009814007 [0,0,0,0,0,2|2,0,0]=4 1091 B12R0.268 CC(=O)OCCSCCOC(=O)C 62a_100009814007_100009814007 [0,0,0,0,0,2|2,0,0]=4 1092 B12R0.268 CC(=O)OCCSCCOC(=O)N 62a_100009814007_200011214921 [0,0,0,0,0,2|2,0,0]=4 1093 B12R0.268 CC(=O)OCCSCCOC(=O)N 62a_200011214921_100009814007 [0,0,0,0,0,2|2,0,0]=4 1094 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,0,0,0,0,2|2,0,0]=4 1095 B12R0.268 CC(=O)SCCCSCCC(=O)N 62a_100000038929_100000744528 [0,0,0,0,0,2|2,0,0]=4 1096 B12R0.268 CC(=O)SCCCSCCC(=O)N 62a_100000744528_100000038929 [0,0,0,0,0,2|2,0,0]=4 1097 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,0,0,0,0,2|2,0,0]=4 1098 B12R0.268 NC(=O)CCCSCCCC(=O)N 62a_100102525003_100102525003 [0,0,0,0,0,2|2,0,0]=4 1099 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_100102525003_200000034859 [0,0,0,0,0,2|2,0,0]=4 1100 B12R0.268 NC(=O)CCCSCCNC(=O)N 62a_200000034859_100102525003 [0,0,0,0,0,2|2,0,0]=4 1101 B12R0.268 NC(=O)CCCSCCOC(=O)N 62a_100102525003_200011214921 [0,0,0,0,0,2|2,0,0]=4 1102 B12R0.268 NC(=O)CCCSCCOC(=O)N 62a_200011214921_100102525003 [0,0,0,0,0,2|2,0,0]=4 1103 B12R0.268 NC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000744528 [0,0,0,0,0,2|2,0,0]=4 1104 B12R0.268 NC(=O)CCSCCOCC(=O)N 62a_100000076697_100000744528 [0,0,0,0,0,2|2,0,0]=4 1105 B12R0.268 NC(=O)CCSCCOCC(=O)N 62a_100000744528_100000076697 [0,0,0,0,0,2|2,0,0]=4 1106 B12R0.268 NC(=O)NCCSCCNC(=O)N 62a_200000034859_200000034859 [0,0,0,0,0,2|2,0,0]=4 1107 B12R0.268 NC(=O)NCCSCCOC(=O)N 62a_200000034859_200011214921 [0,0,0,0,0,2|2,0,0]=4 1108 B12R0.268 NC(=O)NCCSCCOC(=O)N 62a_200011214921_200000034859 [0,0,0,0,0,2|2,0,0]=4 1109 B12R0.268 NC(=O)OCCSCCOC(=O)N 62a_200011214921_200011214921 [0,0,0,0,0,2|2,0,0]=4